USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 670 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 Single : A 16 THR OG1 : rot -35:sc= 0.825 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 24 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.0066) USER MOD Single : A 28 ASN : amide:sc= -2.07! C(o=-2.1!,f=-3.9!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -106:sc= -1.06 (180deg=-3!) USER MOD Single : A 37 ASN : amide:sc= -2.08! C(o=-2.1!,f=-4!) USER MOD Single : A 40 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 15:sc= 0.341 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.259) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 60 SER OG : rot 142:sc= -1.91 USER MOD Single : A 66 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.016) USER MOD Single : A 70 THR OG1 : rot 156:sc= -0.332 USER MOD Single : A 71 ASN :FLIP amide:sc= 0.0672 F(o=-0.78,f=0.067) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.088 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= -0.0432 (180deg=-0.191) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 120:sc= -1.34 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 74:sc= -0.129 USER MOD Single : A 101 SER OG : rot 110:sc= -0.241 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.235 -24.536 -0.607 1.00 0.00 N ATOM 199 CA THR A 16 -5.347 -23.709 -1.406 1.00 0.00 C ATOM 200 C THR A 16 -5.802 -22.248 -1.369 1.00 0.00 C ATOM 201 O THR A 16 -6.977 -21.966 -1.139 1.00 0.00 O ATOM 202 CB THR A 16 -5.297 -24.294 -2.818 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.626 -24.755 -3.050 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.444 -25.562 -2.897 1.00 0.00 C ATOM 0 HA THR A 16 -4.335 -23.712 -1.002 1.00 0.00 H new ATOM 0 HB THR A 16 -4.901 -23.547 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.006 -25.092 -2.212 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.442 -25.936 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.423 -25.333 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.859 -26.321 -2.234 1.00 0.00 H new ATOM 212 N PRO A 17 -4.822 -21.335 -1.604 1.00 0.00 N ATOM 213 CA PRO A 17 -5.110 -19.911 -1.600 1.00 0.00 C ATOM 214 C PRO A 17 -5.849 -19.497 -2.874 1.00 0.00 C ATOM 215 O PRO A 17 -5.693 -20.127 -3.919 1.00 0.00 O ATOM 216 CB PRO A 17 -3.756 -19.236 -1.454 1.00 0.00 C ATOM 217 CG PRO A 17 -2.725 -20.281 -1.848 1.00 0.00 C ATOM 218 CD PRO A 17 -3.419 -21.633 -1.880 1.00 0.00 C ATOM 0 HA PRO A 17 -5.776 -19.619 -0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.686 -18.357 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.597 -18.897 -0.430 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.299 -20.048 -2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.901 -20.292 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.300 -22.117 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.003 -22.310 -1.133 1.00 0.00 H new ATOM 226 N PRO A 18 -6.660 -18.413 -2.742 1.00 0.00 N ATOM 227 CA PRO A 18 -7.424 -17.908 -3.870 1.00 0.00 C ATOM 228 C PRO A 18 -6.522 -17.157 -4.851 1.00 0.00 C ATOM 229 O PRO A 18 -5.619 -16.431 -4.438 1.00 0.00 O ATOM 230 CB PRO A 18 -8.497 -17.025 -3.254 1.00 0.00 C ATOM 231 CG PRO A 18 -8.012 -16.697 -1.851 1.00 0.00 C ATOM 232 CD PRO A 18 -6.870 -17.643 -1.520 1.00 0.00 C ATOM 0 HA PRO A 18 -7.874 -18.704 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.640 -16.117 -3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.457 -17.540 -3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.678 -15.661 -1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.822 -16.810 -1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.971 -17.095 -1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.124 -18.292 -0.682 1.00 0.00 H new ATOM 240 N SER A 19 -6.798 -17.357 -6.131 1.00 0.00 N ATOM 241 CA SER A 19 -6.023 -16.708 -7.175 1.00 0.00 C ATOM 242 C SER A 19 -6.636 -15.348 -7.513 1.00 0.00 C ATOM 243 O SER A 19 -6.611 -14.921 -8.666 1.00 0.00 O ATOM 244 CB SER A 19 -5.946 -17.582 -8.428 1.00 0.00 C ATOM 245 OG SER A 19 -7.232 -18.033 -8.844 1.00 0.00 O ATOM 0 H SER A 19 -7.548 -17.960 -6.469 1.00 0.00 H new ATOM 0 HA SER A 19 -5.008 -16.560 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.481 -17.017 -9.236 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.306 -18.442 -8.231 1.00 0.00 H new ATOM 0 HG SER A 19 -7.140 -18.586 -9.648 1.00 0.00 H new ATOM 251 N GLN A 20 -7.174 -14.705 -6.486 1.00 0.00 N ATOM 252 CA GLN A 20 -7.793 -13.402 -6.660 1.00 0.00 C ATOM 253 C GLN A 20 -7.043 -12.345 -5.846 1.00 0.00 C ATOM 254 O GLN A 20 -7.101 -12.347 -4.618 1.00 0.00 O ATOM 255 CB GLN A 20 -9.273 -13.442 -6.276 1.00 0.00 C ATOM 256 CG GLN A 20 -9.727 -12.100 -5.700 1.00 0.00 C ATOM 257 CD GLN A 20 -11.250 -12.046 -5.569 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.927 -13.056 -5.471 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.750 -10.813 -5.572 1.00 0.00 N ATOM 0 H GLN A 20 -7.194 -15.062 -5.531 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.733 -13.131 -7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.873 -13.687 -7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.441 -14.232 -5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.269 -11.946 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.385 -11.290 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.127 -10.010 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.757 -10.671 -5.489 1.00 0.00 H new ATOM 268 N PRO A 21 -6.338 -11.445 -6.583 1.00 0.00 N ATOM 269 CA PRO A 21 -5.578 -10.386 -5.942 1.00 0.00 C ATOM 270 C PRO A 21 -6.504 -9.285 -5.421 1.00 0.00 C ATOM 271 O PRO A 21 -7.635 -9.148 -5.886 1.00 0.00 O ATOM 272 CB PRO A 21 -4.613 -9.894 -7.009 1.00 0.00 C ATOM 273 CG PRO A 21 -5.180 -10.371 -8.336 1.00 0.00 C ATOM 274 CD PRO A 21 -6.246 -11.413 -8.040 1.00 0.00 C ATOM 0 HA PRO A 21 -5.036 -10.731 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.529 -8.807 -6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.613 -10.294 -6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.607 -9.536 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.392 -10.797 -8.957 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.201 -11.142 -8.491 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.969 -12.388 -8.441 1.00 0.00 H new ATOM 282 N PRO A 22 -5.977 -8.509 -4.436 1.00 0.00 N ATOM 283 CA PRO A 22 -6.744 -7.425 -3.846 1.00 0.00 C ATOM 284 C PRO A 22 -6.821 -6.228 -4.796 1.00 0.00 C ATOM 285 O PRO A 22 -5.797 -5.742 -5.274 1.00 0.00 O ATOM 286 CB PRO A 22 -6.032 -7.103 -2.542 1.00 0.00 C ATOM 287 CG PRO A 22 -4.638 -7.695 -2.672 1.00 0.00 C ATOM 288 CD PRO A 22 -4.642 -8.642 -3.861 1.00 0.00 C ATOM 0 HA PRO A 22 -7.783 -7.698 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.986 -6.026 -2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.561 -7.533 -1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.900 -6.906 -2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.363 -8.227 -1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.871 -8.374 -4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.445 -9.668 -3.551 1.00 0.00 H new ATOM 296 N GLY A 23 -8.046 -5.786 -5.042 1.00 0.00 N ATOM 297 CA GLY A 23 -8.271 -4.655 -5.926 1.00 0.00 C ATOM 298 C GLY A 23 -8.398 -3.354 -5.131 1.00 0.00 C ATOM 299 O GLY A 23 -8.177 -3.338 -3.921 1.00 0.00 O ATOM 0 H GLY A 23 -8.893 -6.191 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.447 -4.573 -6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.177 -4.819 -6.509 1.00 0.00 H new ATOM 303 N ASN A 24 -8.754 -2.295 -5.843 1.00 0.00 N ATOM 304 CA ASN A 24 -8.913 -0.993 -5.219 1.00 0.00 C ATOM 305 C ASN A 24 -7.662 -0.668 -4.400 1.00 0.00 C ATOM 306 O ASN A 24 -7.726 0.101 -3.442 1.00 0.00 O ATOM 307 CB ASN A 24 -10.115 -0.980 -4.272 1.00 0.00 C ATOM 308 CG ASN A 24 -10.820 0.378 -4.300 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.395 0.787 -5.295 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.745 1.051 -3.155 1.00 0.00 N ATOM 0 H ASN A 24 -8.937 -2.312 -6.846 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.067 -0.257 -6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.816 -1.764 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.785 -1.202 -3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.185 1.968 -3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.248 0.650 -2.360 1.00 0.00 H new ATOM 317 N VAL A 25 -6.555 -1.270 -4.807 1.00 0.00 N ATOM 318 CA VAL A 25 -5.291 -1.055 -4.123 1.00 0.00 C ATOM 319 C VAL A 25 -4.860 0.402 -4.305 1.00 0.00 C ATOM 320 O VAL A 25 -4.204 0.741 -5.289 1.00 0.00 O ATOM 321 CB VAL A 25 -4.247 -2.054 -4.625 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.931 -1.904 -3.858 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.773 -3.488 -4.535 1.00 0.00 C ATOM 0 H VAL A 25 -6.507 -1.907 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.401 -1.231 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.050 -1.834 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.206 -2.626 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.543 -0.895 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.105 -2.085 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.012 -4.178 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.012 -3.724 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.671 -3.585 -5.145 1.00 0.00 H new ATOM 333 N VAL A 26 -5.245 1.225 -3.340 1.00 0.00 N ATOM 334 CA VAL A 26 -4.907 2.637 -3.381 1.00 0.00 C ATOM 335 C VAL A 26 -3.857 2.937 -2.309 1.00 0.00 C ATOM 336 O VAL A 26 -3.770 2.230 -1.306 1.00 0.00 O ATOM 337 CB VAL A 26 -6.173 3.483 -3.232 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.196 3.135 -4.315 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.777 3.325 -1.836 1.00 0.00 C ATOM 0 H VAL A 26 -5.788 0.940 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.470 2.897 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.894 4.529 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.086 3.751 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.764 3.323 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.468 2.083 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.676 3.937 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.034 2.279 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.052 3.646 -1.088 1.00 0.00 H new ATOM 349 N TRP A 27 -3.087 3.986 -2.557 1.00 0.00 N ATOM 350 CA TRP A 27 -2.047 4.389 -1.626 1.00 0.00 C ATOM 351 C TRP A 27 -2.238 5.875 -1.317 1.00 0.00 C ATOM 352 O TRP A 27 -3.138 6.515 -1.859 1.00 0.00 O ATOM 353 CB TRP A 27 -0.659 4.067 -2.181 1.00 0.00 C ATOM 354 CG TRP A 27 -0.384 4.672 -3.559 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.682 4.159 -4.761 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.260 5.935 -3.831 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.279 4.994 -5.782 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.312 6.109 -5.199 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.781 6.898 -2.949 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.877 7.236 -5.807 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.342 8.019 -3.573 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.403 8.209 -4.949 1.00 0.00 C ATOM 0 H TRP A 27 -3.163 4.570 -3.390 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.125 3.828 -0.695 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.094 4.428 -1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.545 2.985 -2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.176 3.210 -4.911 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.394 4.825 -6.781 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.751 6.782 -1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.906 7.349 -6.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.757 8.790 -2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.854 9.103 -5.354 1.00 0.00 H new ATOM 373 N ASN A 28 -1.376 6.381 -0.448 1.00 0.00 N ATOM 374 CA ASN A 28 -1.439 7.781 -0.060 1.00 0.00 C ATOM 375 C ASN A 28 -0.211 8.127 0.784 1.00 0.00 C ATOM 376 O ASN A 28 0.482 7.235 1.273 1.00 0.00 O ATOM 377 CB ASN A 28 -2.686 8.065 0.779 1.00 0.00 C ATOM 378 CG ASN A 28 -3.876 8.425 -0.112 1.00 0.00 C ATOM 379 OD1 ASN A 28 -3.733 8.978 -1.190 1.00 0.00 O ATOM 380 ND2 ASN A 28 -5.056 8.081 0.396 1.00 0.00 N ATOM 0 H ASN A 28 -0.630 5.848 -0.001 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.473 8.382 -0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.930 7.190 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.485 8.883 1.471 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.912 8.278 -0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.105 7.620 1.305 1.00 0.00 H new ATOM 387 N ALA A 29 0.021 9.423 0.931 1.00 0.00 N ATOM 388 CA ALA A 29 1.153 9.898 1.708 1.00 0.00 C ATOM 389 C ALA A 29 0.707 11.068 2.587 1.00 0.00 C ATOM 390 O ALA A 29 0.263 12.097 2.079 1.00 0.00 O ATOM 391 CB ALA A 29 2.296 10.278 0.766 1.00 0.00 C ATOM 0 H ALA A 29 -0.556 10.159 0.525 1.00 0.00 H new ATOM 0 HA ALA A 29 1.523 9.113 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.145 10.634 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.595 9.405 0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.964 11.066 0.090 1.00 0.00 H new ATOM 397 N THR A 30 0.842 10.873 3.890 1.00 0.00 N ATOM 398 CA THR A 30 0.460 11.900 4.845 1.00 0.00 C ATOM 399 C THR A 30 1.439 11.928 6.020 1.00 0.00 C ATOM 400 O THR A 30 2.119 10.939 6.290 1.00 0.00 O ATOM 401 CB THR A 30 -0.988 11.638 5.266 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.113 12.311 6.515 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.242 10.168 5.607 1.00 0.00 C ATOM 0 H THR A 30 1.211 10.019 4.308 1.00 0.00 H new ATOM 0 HA THR A 30 0.510 12.893 4.399 1.00 0.00 H new ATOM 0 HB THR A 30 -1.660 11.946 4.465 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.023 12.194 6.860 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.284 10.037 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.029 9.550 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.594 9.868 6.431 1.00 0.00 H new ATOM 411 N ASP A 31 1.479 13.072 6.687 1.00 0.00 N ATOM 412 CA ASP A 31 2.364 13.241 7.828 1.00 0.00 C ATOM 413 C ASP A 31 3.775 12.788 7.445 1.00 0.00 C ATOM 414 O ASP A 31 4.564 13.576 6.927 1.00 0.00 O ATOM 415 CB ASP A 31 1.901 12.395 9.015 1.00 0.00 C ATOM 416 CG ASP A 31 0.760 13.000 9.835 1.00 0.00 C ATOM 417 OD1 ASP A 31 0.935 14.152 10.286 1.00 0.00 O ATOM 418 OD2 ASP A 31 -0.261 12.296 9.992 1.00 0.00 O ATOM 0 H ASP A 31 0.914 13.890 6.460 1.00 0.00 H new ATOM 0 HA ASP A 31 2.353 14.294 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.585 11.420 8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.752 12.225 9.675 1.00 0.00 H new ATOM 423 N THR A 32 4.048 11.521 7.716 1.00 0.00 N ATOM 424 CA THR A 32 5.350 10.953 7.406 1.00 0.00 C ATOM 425 C THR A 32 5.248 9.434 7.260 1.00 0.00 C ATOM 426 O THR A 32 6.093 8.700 7.770 1.00 0.00 O ATOM 427 CB THR A 32 6.329 11.395 8.496 1.00 0.00 C ATOM 428 OG1 THR A 32 5.684 11.026 9.712 1.00 0.00 O ATOM 429 CG2 THR A 32 6.455 12.917 8.588 1.00 0.00 C ATOM 0 H THR A 32 3.391 10.871 8.147 1.00 0.00 H new ATOM 0 HA THR A 32 5.722 11.315 6.448 1.00 0.00 H new ATOM 0 HB THR A 32 7.310 10.961 8.301 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.251 11.275 10.472 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.161 13.177 9.376 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.812 13.311 7.637 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.481 13.350 8.817 1.00 0.00 H new ATOM 437 N LYS A 33 4.206 9.007 6.562 1.00 0.00 N ATOM 438 CA LYS A 33 3.983 7.588 6.342 1.00 0.00 C ATOM 439 C LYS A 33 3.221 7.394 5.030 1.00 0.00 C ATOM 440 O LYS A 33 2.871 8.365 4.361 1.00 0.00 O ATOM 441 CB LYS A 33 3.292 6.961 7.554 1.00 0.00 C ATOM 442 CG LYS A 33 1.780 6.868 7.335 1.00 0.00 C ATOM 443 CD LYS A 33 1.063 6.467 8.626 1.00 0.00 C ATOM 444 CE LYS A 33 0.532 7.697 9.364 1.00 0.00 C ATOM 445 NZ LYS A 33 -0.884 7.502 9.746 1.00 0.00 N ATOM 0 H LYS A 33 3.507 9.619 6.141 1.00 0.00 H new ATOM 0 HA LYS A 33 4.933 7.064 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.699 5.966 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.498 7.556 8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.400 7.828 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.566 6.138 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.238 5.794 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.749 5.919 9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.133 7.881 10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.625 8.578 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.492 8.076 9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.136 6.498 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.020 7.795 10.735 1.00 0.00 H new ATOM 459 N VAL A 34 2.986 6.132 4.700 1.00 0.00 N ATOM 460 CA VAL A 34 2.272 5.797 3.480 1.00 0.00 C ATOM 461 C VAL A 34 1.035 4.967 3.830 1.00 0.00 C ATOM 462 O VAL A 34 1.151 3.803 4.209 1.00 0.00 O ATOM 463 CB VAL A 34 3.210 5.089 2.502 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.424 4.434 1.364 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.264 6.054 1.956 1.00 0.00 C ATOM 0 H VAL A 34 3.278 5.329 5.257 1.00 0.00 H new ATOM 0 HA VAL A 34 1.926 6.701 2.980 1.00 0.00 H new ATOM 0 HB VAL A 34 3.729 4.301 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.115 3.938 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.731 3.701 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.865 5.197 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.918 5.525 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.771 6.874 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.855 6.452 2.781 1.00 0.00 H new ATOM 475 N LEU A 35 -0.121 5.599 3.689 1.00 0.00 N ATOM 476 CA LEU A 35 -1.379 4.933 3.985 1.00 0.00 C ATOM 477 C LEU A 35 -1.799 4.088 2.781 1.00 0.00 C ATOM 478 O LEU A 35 -2.216 4.626 1.756 1.00 0.00 O ATOM 479 CB LEU A 35 -2.434 5.951 4.421 1.00 0.00 C ATOM 480 CG LEU A 35 -2.012 6.926 5.522 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.181 7.819 5.942 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.404 6.180 6.711 1.00 0.00 C ATOM 0 H LEU A 35 -0.213 6.565 3.374 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.261 4.251 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.735 6.529 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.315 5.408 4.763 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.237 7.579 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.854 8.502 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.528 8.392 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.995 7.200 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.113 6.896 7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.139 5.487 7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.526 5.624 6.381 1.00 0.00 H new ATOM 494 N LEU A 36 -1.675 2.779 2.945 1.00 0.00 N ATOM 495 CA LEU A 36 -2.038 1.855 1.884 1.00 0.00 C ATOM 496 C LEU A 36 -3.455 1.333 2.130 1.00 0.00 C ATOM 497 O LEU A 36 -3.888 1.218 3.275 1.00 0.00 O ATOM 498 CB LEU A 36 -0.988 0.748 1.756 1.00 0.00 C ATOM 499 CG LEU A 36 0.446 1.211 1.494 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.386 0.016 1.325 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.505 2.161 0.296 1.00 0.00 C ATOM 0 H LEU A 36 -1.328 2.337 3.796 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.049 2.366 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.997 0.159 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.287 0.082 0.946 1.00 0.00 H new ATOM 0 HG LEU A 36 0.789 1.769 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.399 0.373 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.374 -0.587 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.055 -0.591 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.536 2.475 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.135 1.649 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.114 3.036 0.495 1.00 0.00 H new ATOM 513 N ASN A 37 -4.138 1.031 1.035 1.00 0.00 N ATOM 514 CA ASN A 37 -5.497 0.524 1.118 1.00 0.00 C ATOM 515 C ASN A 37 -5.790 -0.341 -0.110 1.00 0.00 C ATOM 516 O ASN A 37 -5.329 -0.039 -1.210 1.00 0.00 O ATOM 517 CB ASN A 37 -6.511 1.669 1.142 1.00 0.00 C ATOM 518 CG ASN A 37 -5.902 2.928 1.763 1.00 0.00 C ATOM 519 OD1 ASN A 37 -4.942 3.494 1.267 1.00 0.00 O ATOM 520 ND2 ASN A 37 -6.512 3.333 2.874 1.00 0.00 N ATOM 0 H ASN A 37 -3.776 1.128 0.086 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.585 -0.056 2.037 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.845 1.885 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.391 1.368 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.180 4.164 3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.311 2.813 3.236 1.00 0.00 H new ATOM 527 N TRP A 38 -6.554 -1.398 0.119 1.00 0.00 N ATOM 528 CA TRP A 38 -6.913 -2.309 -0.954 1.00 0.00 C ATOM 529 C TRP A 38 -8.148 -3.097 -0.513 1.00 0.00 C ATOM 530 O TRP A 38 -8.354 -3.317 0.680 1.00 0.00 O ATOM 531 CB TRP A 38 -5.733 -3.207 -1.329 1.00 0.00 C ATOM 532 CG TRP A 38 -5.212 -4.065 -0.174 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.635 -5.277 0.210 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.146 -3.723 0.737 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.922 -5.739 1.298 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.988 -4.765 1.628 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.342 -2.572 0.805 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.034 -4.759 2.652 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.392 -2.582 1.834 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.221 -3.623 2.740 1.00 0.00 C ATOM 0 H TRP A 38 -6.935 -1.644 1.033 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.158 -1.757 -1.862 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.033 -3.861 -2.147 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.920 -2.584 -1.701 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.433 -5.823 -0.271 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.056 -6.632 1.773 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.448 -1.745 0.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.931 -5.587 3.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.747 -1.721 1.931 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.465 -3.555 3.508 1.00 0.00 H new ATOM 551 N GLU A 39 -8.937 -3.500 -1.498 1.00 0.00 N ATOM 552 CA GLU A 39 -10.146 -4.258 -1.226 1.00 0.00 C ATOM 553 C GLU A 39 -9.800 -5.577 -0.530 1.00 0.00 C ATOM 554 O GLU A 39 -8.637 -5.836 -0.226 1.00 0.00 O ATOM 555 CB GLU A 39 -10.938 -4.508 -2.511 1.00 0.00 C ATOM 556 CG GLU A 39 -12.291 -3.793 -2.468 1.00 0.00 C ATOM 557 CD GLU A 39 -13.421 -4.777 -2.161 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.903 -5.408 -3.126 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.778 -4.877 -0.967 1.00 0.00 O ATOM 0 H GLU A 39 -8.762 -3.316 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.777 -3.671 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.365 -4.158 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.092 -5.579 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.269 -3.011 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.479 -3.305 -3.424 1.00 0.00 H new ATOM 566 N GLN A 40 -10.832 -6.376 -0.299 1.00 0.00 N ATOM 567 CA GLN A 40 -10.651 -7.661 0.354 1.00 0.00 C ATOM 568 C GLN A 40 -10.702 -8.792 -0.675 1.00 0.00 C ATOM 569 O GLN A 40 -11.201 -8.605 -1.784 1.00 0.00 O ATOM 570 CB GLN A 40 -11.698 -7.870 1.450 1.00 0.00 C ATOM 571 CG GLN A 40 -13.111 -7.637 0.911 1.00 0.00 C ATOM 572 CD GLN A 40 -14.163 -8.189 1.875 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.864 -8.889 2.828 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.410 -7.835 1.574 1.00 0.00 N ATOM 0 H GLN A 40 -11.796 -6.158 -0.552 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.669 -7.671 0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.618 -8.883 1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.504 -7.188 2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.275 -6.570 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.217 -8.117 -0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.591 -7.246 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.185 -8.152 2.156 1.00 0.00 H new ATOM 583 N VAL A 41 -10.178 -9.940 -0.272 1.00 0.00 N ATOM 584 CA VAL A 41 -10.157 -11.101 -1.146 1.00 0.00 C ATOM 585 C VAL A 41 -10.855 -12.271 -0.449 1.00 0.00 C ATOM 586 O VAL A 41 -10.404 -12.732 0.598 1.00 0.00 O ATOM 587 CB VAL A 41 -8.718 -11.421 -1.556 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.600 -12.861 -2.060 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.214 -10.429 -2.606 1.00 0.00 C ATOM 0 H VAL A 41 -9.765 -10.091 0.648 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.705 -10.897 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.087 -11.322 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.568 -13.063 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.900 -13.549 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.249 -12.998 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.189 -10.679 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.849 -10.481 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.244 -9.419 -2.197 1.00 0.00 H new ATOM 599 N LYS A 42 -11.943 -12.717 -1.059 1.00 0.00 N ATOM 600 CA LYS A 42 -12.708 -13.824 -0.510 1.00 0.00 C ATOM 601 C LYS A 42 -12.501 -15.063 -1.383 1.00 0.00 C ATOM 602 O LYS A 42 -12.645 -14.998 -2.603 1.00 0.00 O ATOM 603 CB LYS A 42 -14.176 -13.429 -0.340 1.00 0.00 C ATOM 604 CG LYS A 42 -14.413 -12.771 1.021 1.00 0.00 C ATOM 605 CD LYS A 42 -15.896 -12.454 1.225 1.00 0.00 C ATOM 606 CE LYS A 42 -16.395 -13.003 2.563 1.00 0.00 C ATOM 607 NZ LYS A 42 -17.649 -12.329 2.966 1.00 0.00 N ATOM 0 H LYS A 42 -12.313 -12.332 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.352 -14.075 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.466 -12.742 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.807 -14.312 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.066 -13.433 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.828 -11.854 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.049 -11.375 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.479 -12.885 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.563 -14.077 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.634 -12.856 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.973 -12.714 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.478 -11.308 3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.378 -12.491 2.242 1.00 0.00 H new ATOM 621 N ALA A 43 -12.167 -16.163 -0.725 1.00 0.00 N ATOM 622 CA ALA A 43 -11.939 -17.415 -1.426 1.00 0.00 C ATOM 623 C ALA A 43 -13.229 -18.237 -1.425 1.00 0.00 C ATOM 624 O ALA A 43 -13.881 -18.375 -0.391 1.00 0.00 O ATOM 625 CB ALA A 43 -10.773 -18.160 -0.774 1.00 0.00 C ATOM 0 H ALA A 43 -12.049 -16.213 0.287 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.667 -17.229 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.602 -19.099 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.874 -17.546 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.011 -18.366 0.269 1.00 0.00 H new ATOM 677 N GLU A 47 -11.336 -23.163 -2.016 1.00 0.00 N ATOM 678 CA GLU A 47 -10.251 -22.232 -1.757 1.00 0.00 C ATOM 679 C GLU A 47 -10.235 -21.833 -0.280 1.00 0.00 C ATOM 680 O GLU A 47 -11.239 -21.978 0.417 1.00 0.00 O ATOM 681 CB GLU A 47 -10.362 -20.999 -2.657 1.00 0.00 C ATOM 682 CG GLU A 47 -9.970 -21.334 -4.097 1.00 0.00 C ATOM 683 CD GLU A 47 -10.925 -22.369 -4.698 1.00 0.00 C ATOM 684 OE1 GLU A 47 -12.142 -22.225 -4.456 1.00 0.00 O ATOM 685 OE2 GLU A 47 -10.415 -23.279 -5.386 1.00 0.00 O ATOM 0 HA GLU A 47 -9.308 -22.728 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.383 -20.618 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.717 -20.207 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.983 -20.427 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.950 -21.718 -4.120 1.00 0.00 H new ATOM 692 N SER A 48 -9.085 -21.338 0.154 1.00 0.00 N ATOM 693 CA SER A 48 -8.926 -20.917 1.535 1.00 0.00 C ATOM 694 C SER A 48 -9.167 -19.411 1.655 1.00 0.00 C ATOM 695 O SER A 48 -8.646 -18.631 0.860 1.00 0.00 O ATOM 696 CB SER A 48 -7.535 -21.276 2.063 1.00 0.00 C ATOM 697 OG SER A 48 -7.546 -22.482 2.821 1.00 0.00 O ATOM 0 H SER A 48 -8.255 -21.219 -0.427 1.00 0.00 H new ATOM 0 HA SER A 48 -9.663 -21.445 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.845 -21.381 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.162 -20.461 2.683 1.00 0.00 H new ATOM 0 HG SER A 48 -6.640 -22.677 3.138 1.00 0.00 H new ATOM 703 N GLU A 49 -9.956 -19.048 2.655 1.00 0.00 N ATOM 704 CA GLU A 49 -10.273 -17.650 2.889 1.00 0.00 C ATOM 705 C GLU A 49 -9.004 -16.869 3.238 1.00 0.00 C ATOM 706 O GLU A 49 -7.987 -17.460 3.598 1.00 0.00 O ATOM 707 CB GLU A 49 -11.327 -17.503 3.989 1.00 0.00 C ATOM 708 CG GLU A 49 -10.699 -17.661 5.375 1.00 0.00 C ATOM 709 CD GLU A 49 -11.658 -18.368 6.334 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.845 -17.975 6.342 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.183 -19.285 7.038 1.00 0.00 O ATOM 0 H GLU A 49 -10.385 -19.698 3.313 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.692 -17.234 1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.805 -16.526 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.108 -18.251 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.773 -18.230 5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.437 -16.681 5.774 1.00 0.00 H new ATOM 718 N VAL A 50 -9.105 -15.554 3.120 1.00 0.00 N ATOM 719 CA VAL A 50 -7.978 -14.687 3.418 1.00 0.00 C ATOM 720 C VAL A 50 -8.006 -14.314 4.902 1.00 0.00 C ATOM 721 O VAL A 50 -8.970 -13.717 5.378 1.00 0.00 O ATOM 722 CB VAL A 50 -7.998 -13.466 2.495 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.912 -12.463 2.889 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.854 -13.884 1.030 1.00 0.00 C ATOM 0 H VAL A 50 -9.950 -15.067 2.822 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.038 -15.205 3.230 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.964 -12.975 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.948 -11.605 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.079 -12.129 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.934 -12.939 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.871 -12.998 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.909 -14.410 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.679 -14.542 0.757 1.00 0.00 H new ATOM 734 N THR A 51 -6.936 -14.682 5.591 1.00 0.00 N ATOM 735 CA THR A 51 -6.825 -14.394 7.011 1.00 0.00 C ATOM 736 C THR A 51 -5.877 -13.216 7.244 1.00 0.00 C ATOM 737 O THR A 51 -5.735 -12.742 8.370 1.00 0.00 O ATOM 738 CB THR A 51 -6.386 -15.676 7.721 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.991 -15.766 7.444 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.976 -16.933 7.077 1.00 0.00 C ATOM 0 H THR A 51 -6.138 -15.177 5.192 1.00 0.00 H new ATOM 0 HA THR A 51 -7.784 -14.086 7.428 1.00 0.00 H new ATOM 0 HB THR A 51 -6.684 -15.631 8.769 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.624 -16.569 7.869 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.633 -17.815 7.619 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.064 -16.884 7.114 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.651 -16.996 6.038 1.00 0.00 H new ATOM 748 N GLY A 52 -5.252 -12.778 6.161 1.00 0.00 N ATOM 749 CA GLY A 52 -4.321 -11.664 6.233 1.00 0.00 C ATOM 750 C GLY A 52 -3.765 -11.324 4.849 1.00 0.00 C ATOM 751 O GLY A 52 -4.255 -11.826 3.839 1.00 0.00 O ATOM 0 H GLY A 52 -5.372 -13.174 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.824 -10.792 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.501 -11.913 6.907 1.00 0.00 H new ATOM 755 N TYR A 53 -2.748 -10.474 4.848 1.00 0.00 N ATOM 756 CA TYR A 53 -2.119 -10.062 3.604 1.00 0.00 C ATOM 757 C TYR A 53 -0.635 -9.759 3.815 1.00 0.00 C ATOM 758 O TYR A 53 -0.186 -9.592 4.948 1.00 0.00 O ATOM 759 CB TYR A 53 -2.834 -8.778 3.177 1.00 0.00 C ATOM 760 CG TYR A 53 -4.266 -8.997 2.685 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.306 -9.050 3.590 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.518 -9.143 1.336 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.654 -9.256 3.128 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.866 -9.349 0.873 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.867 -9.395 1.792 1.00 0.00 C ATOM 766 OH TYR A 53 -8.140 -9.590 1.355 1.00 0.00 O ATOM 0 H TYR A 53 -2.344 -10.060 5.688 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.193 -10.851 2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.852 -8.087 4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.258 -8.300 2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.109 -8.937 4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.704 -9.103 0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.477 -9.299 3.826 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.077 -9.464 -0.180 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.770 -9.367 2.072 1.00 0.00 H new ATOM 776 N LYS A 54 0.087 -9.696 2.705 1.00 0.00 N ATOM 777 CA LYS A 54 1.512 -9.417 2.754 1.00 0.00 C ATOM 778 C LYS A 54 1.811 -8.169 1.921 1.00 0.00 C ATOM 779 O LYS A 54 1.595 -8.160 0.710 1.00 0.00 O ATOM 780 CB LYS A 54 2.315 -10.647 2.328 1.00 0.00 C ATOM 781 CG LYS A 54 2.405 -11.665 3.467 1.00 0.00 C ATOM 782 CD LYS A 54 3.398 -12.779 3.130 1.00 0.00 C ATOM 783 CE LYS A 54 3.588 -13.723 4.319 1.00 0.00 C ATOM 784 NZ LYS A 54 5.027 -13.939 4.584 1.00 0.00 N ATOM 0 H LYS A 54 -0.289 -9.833 1.767 1.00 0.00 H new ATOM 0 HA LYS A 54 1.823 -9.202 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.846 -11.109 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.318 -10.344 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.713 -11.163 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.421 -12.095 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.040 -13.342 2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.357 -12.344 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.108 -13.304 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.103 -14.677 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.145 -14.761 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.523 -14.114 3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.426 -13.095 5.041 1.00 0.00 H new ATOM 798 N VAL A 55 2.303 -7.145 2.603 1.00 0.00 N ATOM 799 CA VAL A 55 2.634 -5.894 1.941 1.00 0.00 C ATOM 800 C VAL A 55 4.090 -5.939 1.474 1.00 0.00 C ATOM 801 O VAL A 55 5.009 -5.900 2.291 1.00 0.00 O ATOM 802 CB VAL A 55 2.341 -4.716 2.872 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.547 -3.383 2.150 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.928 -4.813 3.451 1.00 0.00 C ATOM 0 H VAL A 55 2.480 -7.156 3.607 1.00 0.00 H new ATOM 0 HA VAL A 55 2.013 -5.754 1.056 1.00 0.00 H new ATOM 0 HB VAL A 55 3.047 -4.761 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.332 -2.562 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.579 -3.310 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.876 -3.326 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.745 -3.964 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.201 -4.806 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.830 -5.739 4.018 1.00 0.00 H new ATOM 814 N PHE A 56 4.255 -6.022 0.162 1.00 0.00 N ATOM 815 CA PHE A 56 5.584 -6.073 -0.423 1.00 0.00 C ATOM 816 C PHE A 56 6.005 -4.698 -0.948 1.00 0.00 C ATOM 817 O PHE A 56 5.598 -4.293 -2.035 1.00 0.00 O ATOM 818 CB PHE A 56 5.520 -7.054 -1.595 1.00 0.00 C ATOM 819 CG PHE A 56 5.502 -8.525 -1.174 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.358 -9.080 -0.689 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.629 -9.278 -1.285 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.342 -10.445 -0.298 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.612 -10.643 -0.894 1.00 0.00 C ATOM 824 CZ PHE A 56 5.469 -11.198 -0.409 1.00 0.00 C ATOM 0 H PHE A 56 3.490 -6.055 -0.512 1.00 0.00 H new ATOM 0 HA PHE A 56 6.309 -6.384 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.627 -6.844 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.378 -6.883 -2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.463 -8.482 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.537 -8.838 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.434 -10.885 0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.507 -11.241 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.456 -12.236 -0.112 1.00 0.00 H new ATOM 834 N TYR A 57 6.815 -4.019 -0.149 1.00 0.00 N ATOM 835 CA TYR A 57 7.296 -2.698 -0.519 1.00 0.00 C ATOM 836 C TYR A 57 8.788 -2.733 -0.857 1.00 0.00 C ATOM 837 O TYR A 57 9.574 -3.360 -0.150 1.00 0.00 O ATOM 838 CB TYR A 57 7.084 -1.813 0.711 1.00 0.00 C ATOM 839 CG TYR A 57 7.574 -2.437 2.019 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.746 -3.279 2.733 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.843 -2.158 2.484 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.207 -3.867 3.965 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.303 -2.746 3.715 1.00 0.00 C ATOM 844 CZ TYR A 57 8.463 -3.571 4.395 1.00 0.00 C ATOM 845 OH TYR A 57 8.898 -4.127 5.558 1.00 0.00 O ATOM 0 H TYR A 57 7.150 -4.358 0.753 1.00 0.00 H new ATOM 0 HA TYR A 57 6.766 -2.328 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.600 -0.865 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.022 -1.586 0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.753 -3.497 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.491 -1.499 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.570 -4.528 4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.294 -2.536 4.090 1.00 0.00 H new ATOM 0 HH TYR A 57 9.813 -3.828 5.741 1.00 0.00 H new ATOM 855 N ARG A 58 9.132 -2.050 -1.939 1.00 0.00 N ATOM 856 CA ARG A 58 10.516 -1.994 -2.380 1.00 0.00 C ATOM 857 C ARG A 58 10.750 -0.749 -3.238 1.00 0.00 C ATOM 858 O ARG A 58 9.892 -0.368 -4.033 1.00 0.00 O ATOM 859 CB ARG A 58 10.887 -3.239 -3.188 1.00 0.00 C ATOM 860 CG ARG A 58 9.770 -3.612 -4.165 1.00 0.00 C ATOM 861 CD ARG A 58 10.333 -4.328 -5.394 1.00 0.00 C ATOM 862 NE ARG A 58 10.617 -3.348 -6.466 1.00 0.00 N ATOM 863 CZ ARG A 58 10.823 -3.676 -7.749 1.00 0.00 C ATOM 864 NH1 ARG A 58 10.778 -4.960 -8.127 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.075 -2.719 -8.653 1.00 0.00 N ATOM 0 H ARG A 58 8.477 -1.531 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 58 11.146 -1.950 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.811 -3.058 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.077 -4.073 -2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.045 -4.255 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.238 -2.713 -4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.245 -4.862 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.620 -5.072 -5.750 1.00 0.00 H new ATOM 0 HE ARG A 58 10.659 -2.361 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.587 -5.688 -7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.935 -5.210 -9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.110 -1.741 -8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.232 -2.968 -9.630 1.00 0.00 H new ATOM 879 N THR A 59 11.916 -0.150 -3.048 1.00 0.00 N ATOM 880 CA THR A 59 12.274 1.044 -3.795 1.00 0.00 C ATOM 881 C THR A 59 12.195 0.776 -5.299 1.00 0.00 C ATOM 882 O THR A 59 11.983 -0.360 -5.721 1.00 0.00 O ATOM 883 CB THR A 59 13.661 1.494 -3.330 1.00 0.00 C ATOM 884 OG1 THR A 59 13.551 1.547 -1.911 1.00 0.00 O ATOM 885 CG2 THR A 59 13.974 2.937 -3.734 1.00 0.00 C ATOM 0 H THR A 59 12.625 -0.469 -2.388 1.00 0.00 H new ATOM 0 HA THR A 59 11.572 1.855 -3.604 1.00 0.00 H new ATOM 0 HB THR A 59 14.417 0.828 -3.746 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.407 1.829 -1.527 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.969 3.206 -3.380 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.938 3.027 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.238 3.607 -3.290 1.00 0.00 H new ATOM 893 N SER A 60 12.369 1.841 -6.068 1.00 0.00 N ATOM 894 CA SER A 60 12.320 1.736 -7.516 1.00 0.00 C ATOM 895 C SER A 60 13.009 0.447 -7.970 1.00 0.00 C ATOM 896 O SER A 60 12.633 -0.137 -8.986 1.00 0.00 O ATOM 897 CB SER A 60 12.974 2.949 -8.179 1.00 0.00 C ATOM 898 OG SER A 60 14.393 2.927 -8.052 1.00 0.00 O ATOM 0 H SER A 60 12.544 2.782 -5.715 1.00 0.00 H new ATOM 0 HA SER A 60 11.274 1.709 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.705 2.974 -9.235 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.584 3.862 -7.729 1.00 0.00 H new ATOM 0 HG SER A 60 14.801 3.259 -8.879 1.00 0.00 H new ATOM 960 N VAL A 65 12.799 -7.076 -1.838 1.00 0.00 N ATOM 961 CA VAL A 65 11.609 -6.461 -1.274 1.00 0.00 C ATOM 962 C VAL A 65 11.326 -7.072 0.099 1.00 0.00 C ATOM 963 O VAL A 65 11.678 -8.223 0.355 1.00 0.00 O ATOM 964 CB VAL A 65 10.435 -6.604 -2.246 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.126 -8.077 -2.519 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.198 -5.872 -1.722 1.00 0.00 C ATOM 0 HA VAL A 65 11.764 -5.392 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 65 10.723 -6.142 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.288 -8.151 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.002 -8.558 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.868 -8.574 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.378 -5.989 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.908 -6.292 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.426 -4.813 -1.602 1.00 0.00 H new ATOM 976 N GLN A 66 10.693 -6.275 0.947 1.00 0.00 N ATOM 977 CA GLN A 66 10.359 -6.723 2.289 1.00 0.00 C ATOM 978 C GLN A 66 8.860 -7.008 2.395 1.00 0.00 C ATOM 979 O GLN A 66 8.064 -6.459 1.634 1.00 0.00 O ATOM 980 CB GLN A 66 10.799 -5.697 3.335 1.00 0.00 C ATOM 981 CG GLN A 66 12.323 -5.652 3.452 1.00 0.00 C ATOM 982 CD GLN A 66 12.760 -4.680 4.550 1.00 0.00 C ATOM 983 OE1 GLN A 66 13.256 -5.065 5.596 1.00 0.00 O ATOM 984 NE2 GLN A 66 12.550 -3.400 4.254 1.00 0.00 N ATOM 0 H GLN A 66 10.402 -5.321 0.731 1.00 0.00 H new ATOM 0 HA GLN A 66 10.899 -7.649 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.422 -4.711 3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.364 -5.949 4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.704 -6.649 3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.756 -5.348 2.499 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.130 -3.146 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.809 -2.673 4.921 1.00 0.00 H new ATOM 993 N VAL A 67 8.518 -7.865 3.346 1.00 0.00 N ATOM 994 CA VAL A 67 7.128 -8.229 3.562 1.00 0.00 C ATOM 995 C VAL A 67 6.677 -7.712 4.929 1.00 0.00 C ATOM 996 O VAL A 67 7.456 -7.700 5.881 1.00 0.00 O ATOM 997 CB VAL A 67 6.953 -9.741 3.407 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.610 -10.198 3.980 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.096 -10.162 1.943 1.00 0.00 C ATOM 0 H VAL A 67 9.180 -8.318 3.976 1.00 0.00 H new ATOM 0 HA VAL A 67 6.490 -7.763 2.811 1.00 0.00 H new ATOM 0 HB VAL A 67 7.744 -10.230 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.510 -11.276 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.562 -9.947 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.799 -9.696 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.967 -11.241 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.337 -9.659 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.086 -9.886 1.580 1.00 0.00 H new ATOM 1009 N LEU A 68 5.420 -7.296 4.984 1.00 0.00 N ATOM 1010 CA LEU A 68 4.856 -6.780 6.219 1.00 0.00 C ATOM 1011 C LEU A 68 3.541 -7.504 6.516 1.00 0.00 C ATOM 1012 O LEU A 68 2.694 -7.648 5.636 1.00 0.00 O ATOM 1013 CB LEU A 68 4.717 -5.258 6.149 1.00 0.00 C ATOM 1014 CG LEU A 68 3.509 -4.660 6.874 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.848 -3.291 7.467 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.290 -4.599 5.951 1.00 0.00 C ATOM 0 H LEU A 68 4.776 -7.306 4.193 1.00 0.00 H new ATOM 0 HA LEU A 68 5.526 -6.978 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.621 -4.811 6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.667 -4.966 5.100 1.00 0.00 H new ATOM 0 HG LEU A 68 3.251 -5.316 7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.973 -2.888 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.666 -3.396 8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.147 -2.612 6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.446 -4.170 6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.520 -3.978 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.035 -5.605 5.619 1.00 0.00 H new ATOM 1028 N ASN A 69 3.411 -7.941 7.760 1.00 0.00 N ATOM 1029 CA ASN A 69 2.214 -8.646 8.185 1.00 0.00 C ATOM 1030 C ASN A 69 1.111 -7.631 8.493 1.00 0.00 C ATOM 1031 O ASN A 69 1.318 -6.702 9.271 1.00 0.00 O ATOM 1032 CB ASN A 69 2.475 -9.460 9.454 1.00 0.00 C ATOM 1033 CG ASN A 69 3.783 -10.246 9.342 1.00 0.00 C ATOM 1034 OD1 ASN A 69 4.822 -9.846 9.841 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.674 -11.383 8.660 1.00 0.00 N ATOM 0 H ASN A 69 4.116 -7.820 8.488 1.00 0.00 H new ATOM 0 HA ASN A 69 1.916 -9.318 7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.520 -8.793 10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.647 -10.148 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.491 -11.979 8.529 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.773 -11.658 8.268 1.00 0.00 H new ATOM 1042 N THR A 70 -0.037 -7.844 7.865 1.00 0.00 N ATOM 1043 CA THR A 70 -1.172 -6.960 8.062 1.00 0.00 C ATOM 1044 C THR A 70 -2.475 -7.762 8.090 1.00 0.00 C ATOM 1045 O THR A 70 -2.862 -8.358 7.086 1.00 0.00 O ATOM 1046 CB THR A 70 -1.138 -5.894 6.965 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.489 -5.451 6.869 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.841 -6.485 5.585 1.00 0.00 C ATOM 0 H THR A 70 -0.204 -8.616 7.220 1.00 0.00 H new ATOM 0 HA THR A 70 -1.117 -6.456 9.027 1.00 0.00 H new ATOM 0 HB THR A 70 -0.385 -5.145 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.511 -4.547 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.828 -5.687 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.130 -6.980 5.603 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.613 -7.209 5.326 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.114 -7.751 9.250 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.365 -8.471 9.422 1.00 0.00 C ATOM 1058 C ASN A 71 -5.534 -7.536 9.102 1.00 0.00 C ATOM 1059 O ASN A 71 -6.507 -7.475 9.852 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.528 -8.956 10.863 1.00 0.00 C ATOM 1061 CG ASN A 71 -4.392 -7.796 11.851 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -3.182 -7.684 12.391 1.00 0.00 O flip ATOM 1063 ND2 ASN A 71 -5.325 -7.052 12.106 1.00 0.00 N flip ATOM 0 H ASN A 71 -2.789 -7.255 10.080 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.354 -9.331 8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.503 -9.428 10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.777 -9.715 11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.229 -7.194 11.655 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.201 -6.288 12.770 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.400 -6.832 7.988 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.432 -5.904 7.560 1.00 0.00 C ATOM 1072 C LYS A 72 -6.310 -5.670 6.053 1.00 0.00 C ATOM 1073 O LYS A 72 -5.448 -6.255 5.399 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.374 -4.618 8.389 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.960 -4.034 8.394 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.558 -3.585 9.800 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.503 -2.478 9.742 1.00 0.00 C ATOM 1078 NZ LYS A 72 -4.057 -1.206 10.259 1.00 0.00 N ATOM 0 H LYS A 72 -4.592 -6.886 7.368 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.421 -6.327 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.072 -3.887 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.690 -4.825 9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.253 -4.780 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.910 -3.187 7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.437 -3.227 10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.168 -4.435 10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.631 -2.767 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.165 -2.343 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.328 -0.466 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.875 -0.924 9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.358 -1.334 11.246 1.00 0.00 H new ATOM 1092 N THR A 73 -7.185 -4.814 5.546 1.00 0.00 N ATOM 1093 CA THR A 73 -7.186 -4.496 4.129 1.00 0.00 C ATOM 1094 C THR A 73 -6.380 -3.222 3.867 1.00 0.00 C ATOM 1095 O THR A 73 -6.354 -2.718 2.745 1.00 0.00 O ATOM 1096 CB THR A 73 -8.641 -4.400 3.667 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.324 -3.838 4.784 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.290 -5.774 3.486 1.00 0.00 C ATOM 0 H THR A 73 -7.898 -4.331 6.092 1.00 0.00 H new ATOM 0 HA THR A 73 -6.696 -5.278 3.548 1.00 0.00 H new ATOM 0 HB THR A 73 -8.687 -3.850 2.727 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.275 -3.739 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.322 -5.649 3.157 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.737 -6.342 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.274 -6.312 4.434 1.00 0.00 H new ATOM 1106 N SER A 74 -5.741 -2.737 4.922 1.00 0.00 N ATOM 1107 CA SER A 74 -4.936 -1.532 4.821 1.00 0.00 C ATOM 1108 C SER A 74 -3.538 -1.787 5.388 1.00 0.00 C ATOM 1109 O SER A 74 -3.253 -2.878 5.879 1.00 0.00 O ATOM 1110 CB SER A 74 -5.600 -0.363 5.552 1.00 0.00 C ATOM 1111 OG SER A 74 -6.060 -0.736 6.848 1.00 0.00 O ATOM 0 H SER A 74 -5.765 -3.157 5.851 1.00 0.00 H new ATOM 0 HA SER A 74 -4.851 -1.265 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.890 0.459 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.439 0.004 4.961 1.00 0.00 H new ATOM 0 HG SER A 74 -6.476 0.038 7.283 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.703 -0.762 5.301 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.342 -0.861 5.799 1.00 0.00 C ATOM 1119 C ALA A 75 -0.737 0.541 5.900 1.00 0.00 C ATOM 1120 O ALA A 75 -1.310 1.506 5.397 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.530 -1.782 4.887 1.00 0.00 C ATOM 0 H ALA A 75 -2.943 0.141 4.893 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.330 -1.298 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.491 -1.856 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.984 -2.773 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.518 -1.374 3.876 1.00 0.00 H new ATOM 1127 N GLU A 76 0.413 0.608 6.554 1.00 0.00 N ATOM 1128 CA GLU A 76 1.102 1.876 6.728 1.00 0.00 C ATOM 1129 C GLU A 76 2.617 1.669 6.671 1.00 0.00 C ATOM 1130 O GLU A 76 3.173 0.910 7.464 1.00 0.00 O ATOM 1131 CB GLU A 76 0.689 2.549 8.038 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.756 3.047 7.967 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.326 3.275 9.369 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -1.302 2.304 10.156 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.775 4.414 9.621 1.00 0.00 O ATOM 0 H GLU A 76 0.885 -0.195 6.970 1.00 0.00 H new ATOM 0 HA GLU A 76 0.815 2.539 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.794 1.844 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.356 3.385 8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.797 3.976 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.369 2.320 7.435 1.00 0.00 H new ATOM 1142 N LEU A 77 3.241 2.357 5.727 1.00 0.00 N ATOM 1143 CA LEU A 77 4.681 2.258 5.557 1.00 0.00 C ATOM 1144 C LEU A 77 5.312 3.634 5.778 1.00 0.00 C ATOM 1145 O LEU A 77 4.614 4.599 6.085 1.00 0.00 O ATOM 1146 CB LEU A 77 5.019 1.638 4.199 1.00 0.00 C ATOM 1147 CG LEU A 77 4.537 0.202 3.980 1.00 0.00 C ATOM 1148 CD1 LEU A 77 4.132 -0.024 2.522 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.590 -0.807 4.445 1.00 0.00 C ATOM 0 H LEU A 77 2.776 2.985 5.072 1.00 0.00 H new ATOM 0 HA LEU A 77 5.107 1.587 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.592 2.267 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.101 1.661 4.070 1.00 0.00 H new ATOM 0 HG LEU A 77 3.648 0.044 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.793 -1.052 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.325 0.659 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.989 0.159 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.222 -1.819 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.511 -0.658 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.788 -0.663 5.507 1.00 0.00 H new ATOM 1161 N VAL A 78 6.626 3.680 5.613 1.00 0.00 N ATOM 1162 CA VAL A 78 7.359 4.922 5.791 1.00 0.00 C ATOM 1163 C VAL A 78 7.423 5.668 4.457 1.00 0.00 C ATOM 1164 O VAL A 78 7.340 5.054 3.394 1.00 0.00 O ATOM 1165 CB VAL A 78 8.741 4.634 6.381 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.623 3.945 7.742 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.587 3.801 5.416 1.00 0.00 C ATOM 0 H VAL A 78 7.202 2.878 5.358 1.00 0.00 H new ATOM 0 HA VAL A 78 6.845 5.570 6.501 1.00 0.00 H new ATOM 0 HB VAL A 78 9.247 5.588 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.619 3.751 8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.077 4.590 8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.089 3.002 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.564 3.611 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.087 2.853 5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.714 4.345 4.480 1.00 0.00 H new ATOM 1177 N LEU A 79 7.569 6.981 4.555 1.00 0.00 N ATOM 1178 CA LEU A 79 7.644 7.816 3.369 1.00 0.00 C ATOM 1179 C LEU A 79 8.886 7.436 2.560 1.00 0.00 C ATOM 1180 O LEU A 79 9.898 7.025 3.126 1.00 0.00 O ATOM 1181 CB LEU A 79 7.590 9.297 3.752 1.00 0.00 C ATOM 1182 CG LEU A 79 8.637 9.767 4.763 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.022 9.853 4.119 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.221 11.090 5.408 1.00 0.00 C ATOM 0 H LEU A 79 7.637 7.487 5.438 1.00 0.00 H new ATOM 0 HA LEU A 79 6.780 7.644 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.698 9.891 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.601 9.511 4.157 1.00 0.00 H new ATOM 0 HG LEU A 79 8.699 9.026 5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.747 10.190 4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.312 8.870 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.995 10.561 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.983 11.402 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.113 11.853 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.270 10.960 5.925 1.00 0.00 H new ATOM 1196 N PRO A 80 8.764 7.589 1.214 1.00 0.00 N ATOM 1197 CA PRO A 80 9.865 7.266 0.322 1.00 0.00 C ATOM 1198 C PRO A 80 10.953 8.340 0.382 1.00 0.00 C ATOM 1199 O PRO A 80 10.677 9.490 0.723 1.00 0.00 O ATOM 1200 CB PRO A 80 9.231 7.138 -1.054 1.00 0.00 C ATOM 1201 CG PRO A 80 7.889 7.847 -0.962 1.00 0.00 C ATOM 1202 CD PRO A 80 7.581 8.073 0.509 1.00 0.00 C ATOM 0 HA PRO A 80 10.374 6.343 0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.861 7.593 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.102 6.091 -1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.922 8.797 -1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.107 7.247 -1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.399 9.127 0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.688 7.529 0.815 1.00 0.00 H new ATOM 1210 N ILE A 81 12.166 7.928 0.044 1.00 0.00 N ATOM 1211 CA ILE A 81 13.296 8.841 0.055 1.00 0.00 C ATOM 1212 C ILE A 81 13.388 9.549 -1.299 1.00 0.00 C ATOM 1213 O ILE A 81 13.194 10.761 -1.384 1.00 0.00 O ATOM 1214 CB ILE A 81 14.577 8.103 0.450 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.432 7.454 1.828 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.790 9.033 0.379 1.00 0.00 C ATOM 1217 CD1 ILE A 81 14.069 8.494 2.889 1.00 0.00 C ATOM 0 H ILE A 81 12.391 6.974 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 81 13.154 9.614 0.811 1.00 0.00 H new ATOM 0 HB ILE A 81 14.745 7.301 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 81 13.662 6.683 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.365 6.961 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.687 8.483 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 81 15.902 9.407 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.646 9.872 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.972 8.006 3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.852 9.250 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 81 13.124 8.968 2.625 1.00 0.00 H new ATOM 1229 N LYS A 82 13.683 8.762 -2.323 1.00 0.00 N ATOM 1230 CA LYS A 82 13.802 9.299 -3.668 1.00 0.00 C ATOM 1231 C LYS A 82 13.196 8.308 -4.664 1.00 0.00 C ATOM 1232 O LYS A 82 12.029 8.429 -5.034 1.00 0.00 O ATOM 1233 CB LYS A 82 15.256 9.664 -3.972 1.00 0.00 C ATOM 1234 CG LYS A 82 15.682 10.911 -3.195 1.00 0.00 C ATOM 1235 CD LYS A 82 16.423 11.896 -4.102 1.00 0.00 C ATOM 1236 CE LYS A 82 16.975 13.074 -3.297 1.00 0.00 C ATOM 1237 NZ LYS A 82 16.736 14.348 -4.011 1.00 0.00 N ATOM 0 H LYS A 82 13.843 7.757 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 82 13.238 10.228 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.906 8.829 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.375 9.839 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.804 11.395 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.325 10.623 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.240 11.384 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.747 12.264 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.501 13.106 -2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.044 12.939 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.117 15.137 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.209 14.321 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.714 14.483 -4.148 1.00 0.00 H new ATOM 1251 N GLU A 83 14.016 7.349 -5.069 1.00 0.00 N ATOM 1252 CA GLU A 83 13.575 6.338 -6.015 1.00 0.00 C ATOM 1253 C GLU A 83 12.124 5.943 -5.732 1.00 0.00 C ATOM 1254 O GLU A 83 11.724 5.822 -4.575 1.00 0.00 O ATOM 1255 CB GLU A 83 14.494 5.114 -5.976 1.00 0.00 C ATOM 1256 CG GLU A 83 15.742 5.339 -6.832 1.00 0.00 C ATOM 1257 CD GLU A 83 17.015 5.124 -6.010 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.432 6.096 -5.344 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.543 3.992 -6.067 1.00 0.00 O ATOM 0 H GLU A 83 14.983 7.251 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 83 13.627 6.760 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.787 4.907 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.955 4.238 -6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.733 4.656 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.732 6.351 -7.237 1.00 0.00 H new ATOM 1266 N ASP A 84 11.376 5.753 -6.809 1.00 0.00 N ATOM 1267 CA ASP A 84 9.978 5.375 -6.691 1.00 0.00 C ATOM 1268 C ASP A 84 9.849 4.217 -5.699 1.00 0.00 C ATOM 1269 O ASP A 84 10.853 3.686 -5.225 1.00 0.00 O ATOM 1270 CB ASP A 84 9.418 4.909 -8.037 1.00 0.00 C ATOM 1271 CG ASP A 84 8.089 5.551 -8.441 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.066 5.170 -7.832 1.00 0.00 O ATOM 1273 OD2 ASP A 84 8.126 6.408 -9.350 1.00 0.00 O ATOM 0 H ASP A 84 11.712 5.854 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 84 9.420 6.248 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.155 5.117 -8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.287 3.827 -8.004 1.00 0.00 H new ATOM 1278 N TYR A 85 8.606 3.859 -5.415 1.00 0.00 N ATOM 1279 CA TYR A 85 8.333 2.774 -4.488 1.00 0.00 C ATOM 1280 C TYR A 85 7.383 1.748 -5.110 1.00 0.00 C ATOM 1281 O TYR A 85 6.266 2.086 -5.498 1.00 0.00 O ATOM 1282 CB TYR A 85 7.651 3.414 -3.278 1.00 0.00 C ATOM 1283 CG TYR A 85 8.264 3.014 -1.934 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.614 3.198 -1.710 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.468 2.470 -0.947 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.191 2.822 -0.445 1.00 0.00 C ATOM 1287 CE2 TYR A 85 8.045 2.094 0.317 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.378 2.288 0.506 1.00 0.00 C ATOM 1289 OH TYR A 85 9.923 1.933 1.700 1.00 0.00 O ATOM 0 H TYR A 85 7.776 4.301 -5.811 1.00 0.00 H new ATOM 0 HA TYR A 85 9.254 2.255 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.698 4.498 -3.379 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.596 3.139 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.237 3.624 -2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.412 2.326 -1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.245 2.961 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.433 1.667 1.098 1.00 0.00 H new ATOM 0 HH TYR A 85 9.225 1.567 2.282 1.00 0.00 H new ATOM 1299 N ILE A 86 7.862 0.515 -5.185 1.00 0.00 N ATOM 1300 CA ILE A 86 7.070 -0.563 -5.752 1.00 0.00 C ATOM 1301 C ILE A 86 6.436 -1.375 -4.621 1.00 0.00 C ATOM 1302 O ILE A 86 7.100 -2.202 -3.998 1.00 0.00 O ATOM 1303 CB ILE A 86 7.916 -1.402 -6.712 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.198 -0.636 -8.006 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.259 -2.757 -6.981 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.754 0.758 -7.708 1.00 0.00 C ATOM 0 H ILE A 86 8.789 0.239 -4.862 1.00 0.00 H new ATOM 0 HA ILE A 86 6.254 -0.160 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 86 8.877 -1.599 -6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.910 -1.193 -8.615 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.281 -0.549 -8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.881 -3.333 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.151 -3.302 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.276 -2.603 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.946 1.281 -8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.029 1.321 -7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.684 0.666 -7.147 1.00 0.00 H new ATOM 1318 N ILE A 87 5.158 -1.111 -4.390 1.00 0.00 N ATOM 1319 CA ILE A 87 4.428 -1.807 -3.344 1.00 0.00 C ATOM 1320 C ILE A 87 3.579 -2.914 -3.972 1.00 0.00 C ATOM 1321 O ILE A 87 3.046 -2.747 -5.068 1.00 0.00 O ATOM 1322 CB ILE A 87 3.621 -0.816 -2.504 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.398 0.486 -2.294 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.189 -1.445 -1.178 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.946 1.194 -1.015 1.00 0.00 C ATOM 0 H ILE A 87 4.610 -0.425 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 87 5.119 -2.288 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 87 2.713 -0.565 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.465 0.272 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.250 1.144 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.617 -0.719 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.570 -2.321 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.072 -1.744 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.514 2.116 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.884 1.428 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.118 0.542 -0.158 1.00 0.00 H new ATOM 1337 N GLU A 88 3.481 -4.021 -3.251 1.00 0.00 N ATOM 1338 CA GLU A 88 2.706 -5.156 -3.723 1.00 0.00 C ATOM 1339 C GLU A 88 1.900 -5.764 -2.573 1.00 0.00 C ATOM 1340 O GLU A 88 2.466 -6.171 -1.560 1.00 0.00 O ATOM 1341 CB GLU A 88 3.611 -6.205 -4.373 1.00 0.00 C ATOM 1342 CG GLU A 88 3.607 -6.064 -5.896 1.00 0.00 C ATOM 1343 CD GLU A 88 3.358 -7.414 -6.572 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.090 -8.366 -6.224 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.442 -7.464 -7.420 1.00 0.00 O ATOM 0 H GLU A 88 3.926 -4.156 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 88 2.008 -4.804 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.628 -6.096 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.274 -7.204 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.836 -5.355 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.562 -5.657 -6.229 1.00 0.00 H new ATOM 1352 N VAL A 89 0.590 -5.806 -2.769 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.300 -6.358 -1.762 1.00 0.00 C ATOM 1354 C VAL A 89 -0.542 -7.839 -2.057 1.00 0.00 C ATOM 1355 O VAL A 89 -0.792 -8.215 -3.201 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.593 -5.541 -1.702 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.540 -6.092 -0.635 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.295 -4.060 -1.460 1.00 0.00 C ATOM 0 H VAL A 89 0.124 -5.467 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 89 0.156 -6.294 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.090 -5.629 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.451 -5.494 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.791 -7.126 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.054 -6.049 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.231 -3.502 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.765 -3.945 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.677 -3.676 -2.271 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.458 -8.640 -1.005 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.664 -10.073 -1.136 1.00 0.00 C ATOM 1370 C LYS A 90 -1.634 -10.546 -0.052 1.00 0.00 C ATOM 1371 O LYS A 90 -1.721 -9.940 1.015 1.00 0.00 O ATOM 1372 CB LYS A 90 0.676 -10.810 -1.127 1.00 0.00 C ATOM 1373 CG LYS A 90 1.111 -11.175 -2.548 1.00 0.00 C ATOM 1374 CD LYS A 90 1.753 -12.564 -2.586 1.00 0.00 C ATOM 1375 CE LYS A 90 2.878 -12.619 -3.620 1.00 0.00 C ATOM 1376 NZ LYS A 90 2.409 -13.273 -4.863 1.00 0.00 N ATOM 0 H LYS A 90 -0.250 -8.324 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.122 -10.306 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.436 -10.184 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.593 -11.715 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.248 -11.151 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.819 -10.433 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.147 -12.814 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.997 -13.312 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.225 -11.610 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.728 -13.166 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.973 -12.933 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.517 -14.304 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.407 -13.043 -5.020 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.339 -11.624 -0.362 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.299 -12.185 0.573 1.00 0.00 C ATOM 1392 C ALA A 91 -2.763 -13.514 1.111 1.00 0.00 C ATOM 1393 O ALA A 91 -2.344 -14.376 0.341 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.655 -12.340 -0.119 1.00 0.00 C ATOM 0 H ALA A 91 -2.264 -12.124 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.442 -11.518 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.375 -12.761 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.005 -11.364 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.552 -13.005 -0.976 1.00 0.00 H new ATOM 1400 N THR A 92 -2.796 -13.637 2.430 1.00 0.00 N ATOM 1401 CA THR A 92 -2.319 -14.846 3.080 1.00 0.00 C ATOM 1402 C THR A 92 -3.496 -15.742 3.469 1.00 0.00 C ATOM 1403 O THR A 92 -4.595 -15.253 3.726 1.00 0.00 O ATOM 1404 CB THR A 92 -1.451 -14.432 4.270 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.392 -14.122 5.295 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.716 -13.113 4.028 1.00 0.00 C ATOM 0 H THR A 92 -3.145 -12.920 3.066 1.00 0.00 H new ATOM 0 HA THR A 92 -1.706 -15.443 2.404 1.00 0.00 H new ATOM 0 HB THR A 92 -0.726 -15.218 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.914 -13.845 6.105 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.115 -12.866 4.903 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.067 -13.213 3.158 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.442 -12.319 3.850 1.00 0.00 H new ATOM 1414 N THR A 93 -3.227 -17.039 3.500 1.00 0.00 N ATOM 1415 CA THR A 93 -4.250 -18.008 3.854 1.00 0.00 C ATOM 1416 C THR A 93 -3.669 -19.087 4.770 1.00 0.00 C ATOM 1417 O THR A 93 -2.542 -18.962 5.246 1.00 0.00 O ATOM 1418 CB THR A 93 -4.841 -18.566 2.557 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.703 -18.835 1.744 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.621 -17.511 1.769 1.00 0.00 C ATOM 0 H THR A 93 -2.315 -17.442 3.286 1.00 0.00 H new ATOM 0 HA THR A 93 -5.056 -17.543 4.422 1.00 0.00 H new ATOM 0 HB THR A 93 -5.497 -19.406 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.678 -19.789 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.019 -17.958 0.858 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.443 -17.136 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.957 -16.687 1.508 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.465 -20.123 4.989 1.00 0.00 N ATOM 1429 CA ASP A 94 -4.044 -21.223 5.840 1.00 0.00 C ATOM 1430 C ASP A 94 -2.987 -22.053 5.108 1.00 0.00 C ATOM 1431 O ASP A 94 -2.260 -22.826 5.730 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.220 -22.144 6.173 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.428 -22.414 7.664 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.421 -22.338 8.400 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -6.590 -22.691 8.034 1.00 0.00 O ATOM 0 H ASP A 94 -5.399 -20.224 4.592 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.644 -20.801 6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.132 -21.705 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.072 -23.096 5.664 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.936 -21.863 3.798 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.980 -22.585 2.975 1.00 0.00 C ATOM 1442 C GLY A 95 -0.668 -21.807 2.849 1.00 0.00 C ATOM 1443 O GLY A 95 0.409 -22.400 2.819 1.00 0.00 O ATOM 0 H GLY A 95 -3.540 -21.220 3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.786 -23.565 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.403 -22.755 1.985 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.802 -20.491 2.779 1.00 0.00 N ATOM 1448 CA GLY A 96 0.359 -19.626 2.657 1.00 0.00 C ATOM 1449 C GLY A 96 -0.039 -18.242 2.142 1.00 0.00 C ATOM 1450 O GLY A 96 -0.924 -17.598 2.702 1.00 0.00 O ATOM 0 H GLY A 96 -1.697 -20.002 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.849 -19.530 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.082 -20.076 1.977 1.00 0.00 H new ATOM 1454 N ASP A 97 0.633 -17.825 1.079 1.00 0.00 N ATOM 1455 CA ASP A 97 0.360 -16.529 0.481 1.00 0.00 C ATOM 1456 C ASP A 97 -0.602 -16.708 -0.696 1.00 0.00 C ATOM 1457 O ASP A 97 -1.008 -17.827 -1.006 1.00 0.00 O ATOM 1458 CB ASP A 97 1.643 -15.887 -0.051 1.00 0.00 C ATOM 1459 CG ASP A 97 2.885 -16.111 0.814 1.00 0.00 C ATOM 1460 OD1 ASP A 97 2.739 -16.018 2.052 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.952 -16.371 0.218 1.00 0.00 O ATOM 0 H ASP A 97 1.366 -18.362 0.616 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.073 -15.888 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.839 -16.277 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.479 -14.814 -0.154 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.938 -15.588 -1.319 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.845 -15.606 -2.454 1.00 0.00 C ATOM 1468 C GLY A 98 -1.212 -14.931 -3.672 1.00 0.00 C ATOM 1469 O GLY A 98 -0.063 -15.208 -4.013 1.00 0.00 O ATOM 0 H GLY A 98 -0.598 -14.662 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.106 -16.635 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.772 -15.096 -2.192 1.00 0.00 H new ATOM 1473 N THR A 99 -1.989 -14.057 -4.294 1.00 0.00 N ATOM 1474 CA THR A 99 -1.519 -13.339 -5.467 1.00 0.00 C ATOM 1475 C THR A 99 -1.171 -11.894 -5.104 1.00 0.00 C ATOM 1476 O THR A 99 -1.721 -11.339 -4.154 1.00 0.00 O ATOM 1477 CB THR A 99 -2.592 -13.451 -6.552 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.865 -14.848 -6.627 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.058 -13.100 -7.942 1.00 0.00 C ATOM 0 H THR A 99 -2.941 -13.829 -4.008 1.00 0.00 H new ATOM 0 HA THR A 99 -0.598 -13.775 -5.854 1.00 0.00 H new ATOM 0 HB THR A 99 -3.426 -12.793 -6.307 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.552 -15.011 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.859 -13.196 -8.675 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.687 -12.075 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.246 -13.779 -8.202 1.00 0.00 H new ATOM 1487 N SER A 100 -0.259 -11.326 -5.880 1.00 0.00 N ATOM 1488 CA SER A 100 0.169 -9.957 -5.652 1.00 0.00 C ATOM 1489 C SER A 100 -0.517 -9.021 -6.649 1.00 0.00 C ATOM 1490 O SER A 100 -0.459 -9.245 -7.857 1.00 0.00 O ATOM 1491 CB SER A 100 1.690 -9.829 -5.765 1.00 0.00 C ATOM 1492 OG SER A 100 2.125 -9.816 -7.121 1.00 0.00 O ATOM 0 H SER A 100 0.195 -11.789 -6.667 1.00 0.00 H new ATOM 0 HA SER A 100 -0.119 -9.673 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.014 -8.913 -5.271 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.164 -10.659 -5.240 1.00 0.00 H new ATOM 0 HG SER A 100 1.907 -8.951 -7.526 1.00 0.00 H new ATOM 1498 N SER A 101 -1.152 -7.992 -6.106 1.00 0.00 N ATOM 1499 CA SER A 101 -1.849 -7.022 -6.932 1.00 0.00 C ATOM 1500 C SER A 101 -0.843 -6.227 -7.767 1.00 0.00 C ATOM 1501 O SER A 101 0.362 -6.298 -7.527 1.00 0.00 O ATOM 1502 CB SER A 101 -2.694 -6.075 -6.077 1.00 0.00 C ATOM 1503 OG SER A 101 -1.887 -5.221 -5.271 1.00 0.00 O ATOM 0 H SER A 101 -1.198 -7.810 -5.103 1.00 0.00 H new ATOM 0 HA SER A 101 -2.521 -7.562 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.328 -5.470 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.357 -6.658 -5.437 1.00 0.00 H new ATOM 0 HG SER A 101 -1.946 -4.302 -5.607 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.374 -5.489 -8.731 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.537 -4.682 -9.603 1.00 0.00 C ATOM 1511 C GLU A 102 0.402 -3.803 -8.773 1.00 0.00 C ATOM 1512 O GLU A 102 -0.046 -3.064 -7.898 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.389 -3.833 -10.548 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.760 -2.497 -9.902 1.00 0.00 C ATOM 1515 CD GLU A 102 -2.634 -1.659 -10.838 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -2.267 -1.571 -12.029 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -3.649 -1.124 -10.340 1.00 0.00 O ATOM 0 H GLU A 102 -2.373 -5.433 -8.927 1.00 0.00 H new ATOM 0 HA GLU A 102 0.069 -5.351 -10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.842 -3.654 -11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.296 -4.377 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.290 -2.676 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.854 -1.945 -9.654 1.00 0.00 H new ATOM 1524 N GLN A 103 1.686 -3.913 -9.078 1.00 0.00 N ATOM 1525 CA GLN A 103 2.692 -3.138 -8.372 1.00 0.00 C ATOM 1526 C GLN A 103 2.310 -1.656 -8.361 1.00 0.00 C ATOM 1527 O GLN A 103 1.816 -1.132 -9.358 1.00 0.00 O ATOM 1528 CB GLN A 103 4.076 -3.343 -8.990 1.00 0.00 C ATOM 1529 CG GLN A 103 4.799 -4.523 -8.338 1.00 0.00 C ATOM 1530 CD GLN A 103 5.909 -5.056 -9.247 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.509 -4.334 -10.025 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.147 -6.357 -9.104 1.00 0.00 N ATOM 0 H GLN A 103 2.053 -4.527 -9.805 1.00 0.00 H new ATOM 0 HA GLN A 103 2.735 -3.489 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.977 -3.519 -10.061 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.670 -2.437 -8.870 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.224 -4.212 -7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.085 -5.319 -8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.607 -6.904 -8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.870 -6.808 -9.665 1.00 0.00 H new ATOM 1541 N ILE A 104 2.553 -1.023 -7.223 1.00 0.00 N ATOM 1542 CA ILE A 104 2.240 0.387 -7.070 1.00 0.00 C ATOM 1543 C ILE A 104 3.476 1.220 -7.416 1.00 0.00 C ATOM 1544 O ILE A 104 4.594 0.707 -7.415 1.00 0.00 O ATOM 1545 CB ILE A 104 1.685 0.664 -5.671 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.913 -0.545 -5.138 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.835 1.936 -5.660 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.257 -0.103 -4.257 1.00 0.00 C ATOM 0 H ILE A 104 2.963 -1.461 -6.398 1.00 0.00 H new ATOM 0 HA ILE A 104 1.453 0.680 -7.765 1.00 0.00 H new ATOM 0 HB ILE A 104 2.525 0.832 -4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.541 -1.140 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.583 -1.185 -4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.453 2.110 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.446 2.785 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.000 1.821 -6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.789 -0.981 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.121 0.471 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.938 0.517 -4.840 1.00 0.00 H new ATOM 1560 N ARG A 105 3.233 2.490 -7.705 1.00 0.00 N ATOM 1561 CA ARG A 105 4.312 3.398 -8.053 1.00 0.00 C ATOM 1562 C ARG A 105 4.185 4.701 -7.262 1.00 0.00 C ATOM 1563 O ARG A 105 3.349 5.546 -7.580 1.00 0.00 O ATOM 1564 CB ARG A 105 4.304 3.715 -9.550 1.00 0.00 C ATOM 1565 CG ARG A 105 5.724 3.953 -10.068 1.00 0.00 C ATOM 1566 CD ARG A 105 5.801 3.731 -11.580 1.00 0.00 C ATOM 1567 NE ARG A 105 6.926 4.506 -12.149 1.00 0.00 N ATOM 1568 CZ ARG A 105 7.375 4.368 -13.403 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.797 3.483 -14.228 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.401 5.114 -13.834 1.00 0.00 N ATOM 0 H ARG A 105 2.304 2.912 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 105 5.252 2.907 -7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.847 2.891 -10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.693 4.598 -9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.036 4.970 -9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.417 3.280 -9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.934 2.671 -11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.865 4.035 -12.049 1.00 0.00 H new ATOM 0 HE ARG A 105 7.389 5.188 -11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.016 2.915 -13.900 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.139 3.378 -15.183 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.841 5.788 -13.207 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.742 5.008 -14.789 1.00 0.00 H new ATOM 1584 N ILE A 106 5.027 4.824 -6.246 1.00 0.00 N ATOM 1585 CA ILE A 106 5.019 6.010 -5.407 1.00 0.00 C ATOM 1586 C ILE A 106 6.325 6.781 -5.608 1.00 0.00 C ATOM 1587 O ILE A 106 7.338 6.466 -4.985 1.00 0.00 O ATOM 1588 CB ILE A 106 4.745 5.634 -3.949 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.491 4.765 -3.833 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.662 6.881 -3.067 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.565 3.856 -2.605 1.00 0.00 C ATOM 0 H ILE A 106 5.719 4.122 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 106 4.207 6.676 -5.698 1.00 0.00 H new ATOM 0 HB ILE A 106 5.583 5.039 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.608 5.401 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.380 4.159 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.467 6.585 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.605 7.425 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.855 7.523 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.661 3.249 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.435 3.204 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.652 4.466 -1.706 1.00 0.00 H new ATOM 1603 N PRO A 107 6.258 7.802 -6.504 1.00 0.00 N ATOM 1604 CA PRO A 107 7.423 8.620 -6.796 1.00 0.00 C ATOM 1605 C PRO A 107 7.707 9.596 -5.652 1.00 0.00 C ATOM 1606 O PRO A 107 6.959 9.651 -4.678 1.00 0.00 O ATOM 1607 CB PRO A 107 7.096 9.318 -8.105 1.00 0.00 C ATOM 1608 CG PRO A 107 5.586 9.229 -8.259 1.00 0.00 C ATOM 1609 CD PRO A 107 5.076 8.203 -7.261 1.00 0.00 C ATOM 0 HA PRO A 107 8.336 8.033 -6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.426 10.357 -8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.603 8.837 -8.941 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.126 10.200 -8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.322 8.937 -9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.314 8.630 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.622 7.351 -7.766 1.00 0.00 H new ATOM 1617 N ARG A 108 8.791 10.341 -5.809 1.00 0.00 N ATOM 1618 CA ARG A 108 9.184 11.312 -4.802 1.00 0.00 C ATOM 1619 C ARG A 108 7.949 12.003 -4.221 1.00 0.00 C ATOM 1620 O ARG A 108 6.922 12.112 -4.889 1.00 0.00 O ATOM 1621 CB ARG A 108 10.121 12.369 -5.391 1.00 0.00 C ATOM 1622 CG ARG A 108 11.582 11.931 -5.278 1.00 0.00 C ATOM 1623 CD ARG A 108 11.949 10.950 -6.394 1.00 0.00 C ATOM 1624 NE ARG A 108 11.771 11.596 -7.713 1.00 0.00 N ATOM 1625 CZ ARG A 108 11.649 10.925 -8.867 1.00 0.00 C ATOM 1626 NH1 ARG A 108 11.685 9.586 -8.871 1.00 0.00 N ATOM 1627 NH2 ARG A 108 11.491 11.594 -10.017 1.00 0.00 N ATOM 0 H ARG A 108 9.410 10.292 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 108 9.710 10.776 -4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.869 12.541 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.980 13.316 -4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.232 12.804 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.751 11.464 -4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.982 10.622 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.323 10.060 -6.328 1.00 0.00 H new ATOM 0 HE ARG A 108 11.739 12.615 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.805 9.076 -7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.592 9.076 -9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.464 12.614 -10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 108 11.398 11.084 -10.895 1.00 0.00 H new