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 Set 1.1: A 28 ASN : amide:sc= -1.45 X(o=-6.1,f=-6.3) USER MOD Set 1.2: A 37 ASN :FLIP amide:sc= -4.55! C(o=-7.9!,f=-6.1!) USER MOD Set 1.3: A 74 SER OG : rot -71:sc= -0.0573 USER MOD Single : A 16 THR OG1 : rot -38:sc= 0.734 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.2!) USER MOD Single : A 24 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3) 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= 0.00959 USER MOD Single : A 53 TYR OH : rot -41:sc= -1.89 USER MOD Single : A 54 LYS NZ :NH3+ -123:sc= -0.501 (180deg=-3.04!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -0:sc= 0.266 USER MOD Single : A 60 SER OG : rot -40:sc= -1.3! USER MOD Single : A 66 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.061) USER MOD Single : A 69 ASN : amide:sc= 0.0071 X(o=0.0071,f=-0.41) USER MOD Single : A 70 THR OG1 : rot 52:sc= -2.16 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0341) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.527 USER MOD Single : A 90 LYS NZ :NH3+ 144:sc= 0.736 (180deg=-0.038) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : A 93 THR OG1 : rot -39:sc= 0.255 USER MOD Single : A 99 THR OG1 : rot 177:sc= -2.64! USER MOD Single : A 100 SER OG : rot 82:sc= 0.814 USER MOD Single : A 101 SER OG : rot 110:sc= -0.0668 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -5.459 -24.812 -0.646 1.00 0.00 N ATOM 199 CA THR A 16 -4.715 -23.928 -1.527 1.00 0.00 C ATOM 200 C THR A 16 -5.287 -22.511 -1.468 1.00 0.00 C ATOM 201 O THR A 16 -6.442 -22.319 -1.090 1.00 0.00 O ATOM 202 CB THR A 16 -4.735 -24.534 -2.932 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.078 -24.980 -3.098 1.00 0.00 O ATOM 204 CG2 THR A 16 -3.902 -25.814 -3.030 1.00 0.00 C ATOM 0 HA THR A 16 -3.676 -23.838 -1.211 1.00 0.00 H new ATOM 0 HB THR A 16 -4.361 -23.802 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.405 -25.356 -2.254 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.950 -26.203 -4.047 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.865 -25.594 -2.774 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.296 -26.558 -2.338 1.00 0.00 H new ATOM 212 N PRO A 17 -4.432 -21.528 -1.858 1.00 0.00 N ATOM 213 CA PRO A 17 -4.841 -20.134 -1.853 1.00 0.00 C ATOM 214 C PRO A 17 -5.775 -19.833 -3.027 1.00 0.00 C ATOM 215 O PRO A 17 -5.758 -20.537 -4.035 1.00 0.00 O ATOM 216 CB PRO A 17 -3.544 -19.343 -1.909 1.00 0.00 C ATOM 217 CG PRO A 17 -2.486 -20.313 -2.410 1.00 0.00 C ATOM 218 CD PRO A 17 -3.057 -21.718 -2.312 1.00 0.00 C ATOM 0 HA PRO A 17 -5.417 -19.868 -0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.637 -18.487 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.282 -18.953 -0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.214 -20.083 -3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.577 -20.228 -1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.025 -22.227 -3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.489 -22.328 -1.610 1.00 0.00 H new ATOM 226 N PRO A 18 -6.590 -18.758 -2.851 1.00 0.00 N ATOM 227 CA PRO A 18 -7.530 -18.355 -3.883 1.00 0.00 C ATOM 228 C PRO A 18 -6.809 -17.663 -5.041 1.00 0.00 C ATOM 229 O PRO A 18 -7.391 -17.455 -6.105 1.00 0.00 O ATOM 230 CB PRO A 18 -8.525 -17.450 -3.177 1.00 0.00 C ATOM 231 CG PRO A 18 -7.847 -17.007 -1.891 1.00 0.00 C ATOM 232 CD PRO A 18 -6.638 -17.902 -1.670 1.00 0.00 C ATOM 0 HA PRO A 18 -8.039 -19.202 -4.342 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.782 -16.592 -3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.454 -17.980 -2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.542 -15.963 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.537 -17.082 -1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.725 -17.316 -1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.742 -18.490 -0.758 1.00 0.00 H new ATOM 240 N SER A 19 -5.552 -17.324 -4.796 1.00 0.00 N ATOM 241 CA SER A 19 -4.745 -16.659 -5.805 1.00 0.00 C ATOM 242 C SER A 19 -5.457 -15.398 -6.297 1.00 0.00 C ATOM 243 O SER A 19 -5.142 -14.880 -7.367 1.00 0.00 O ATOM 244 CB SER A 19 -4.451 -17.595 -6.979 1.00 0.00 C ATOM 245 OG SER A 19 -3.367 -18.478 -6.700 1.00 0.00 O ATOM 0 H SER A 19 -5.072 -17.498 -3.913 1.00 0.00 H new ATOM 0 HA SER A 19 -3.794 -16.378 -5.352 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.343 -18.178 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.218 -17.004 -7.865 1.00 0.00 H new ATOM 0 HG SER A 19 -3.212 -19.060 -7.473 1.00 0.00 H new ATOM 251 N GLN A 20 -6.405 -14.940 -5.492 1.00 0.00 N ATOM 252 CA GLN A 20 -7.164 -13.749 -5.832 1.00 0.00 C ATOM 253 C GLN A 20 -6.462 -12.500 -5.295 1.00 0.00 C ATOM 254 O GLN A 20 -6.371 -12.307 -4.084 1.00 0.00 O ATOM 255 CB GLN A 20 -8.597 -13.843 -5.303 1.00 0.00 C ATOM 256 CG GLN A 20 -9.531 -14.444 -6.354 1.00 0.00 C ATOM 257 CD GLN A 20 -10.641 -15.266 -5.696 1.00 0.00 C ATOM 258 OE1 GLN A 20 -10.436 -16.378 -5.238 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.824 -14.659 -5.674 1.00 0.00 N ATOM 0 H GLN A 20 -6.664 -15.373 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.216 -13.673 -6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.616 -14.455 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.950 -12.851 -5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.971 -13.647 -6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.960 -15.076 -7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.927 -13.727 -6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.629 -15.125 -5.256 1.00 0.00 H new ATOM 268 N PRO A 21 -5.971 -11.662 -6.248 1.00 0.00 N ATOM 269 CA PRO A 21 -5.280 -10.437 -5.883 1.00 0.00 C ATOM 270 C PRO A 21 -6.268 -9.372 -5.405 1.00 0.00 C ATOM 271 O PRO A 21 -7.401 -9.312 -5.882 1.00 0.00 O ATOM 272 CB PRO A 21 -4.522 -10.026 -7.134 1.00 0.00 C ATOM 273 CG PRO A 21 -5.179 -10.771 -8.284 1.00 0.00 C ATOM 274 CD PRO A 21 -6.061 -11.859 -7.692 1.00 0.00 C ATOM 0 HA PRO A 21 -4.596 -10.573 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.575 -8.948 -7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.466 -10.285 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.772 -10.088 -8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.423 -11.206 -8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.090 -11.769 -8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.713 -12.851 -7.979 1.00 0.00 H new ATOM 282 N PRO A 22 -5.792 -8.534 -4.446 1.00 0.00 N ATOM 283 CA PRO A 22 -6.620 -7.474 -3.898 1.00 0.00 C ATOM 284 C PRO A 22 -6.755 -6.316 -4.890 1.00 0.00 C ATOM 285 O PRO A 22 -5.769 -5.890 -5.489 1.00 0.00 O ATOM 286 CB PRO A 22 -5.937 -7.069 -2.602 1.00 0.00 C ATOM 287 CG PRO A 22 -4.512 -7.589 -2.703 1.00 0.00 C ATOM 288 CD PRO A 22 -4.456 -8.575 -3.858 1.00 0.00 C ATOM 0 HA PRO A 22 -7.644 -7.796 -3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.950 -5.986 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.449 -7.497 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.816 -6.766 -2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.216 -8.074 -1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.695 -8.291 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.207 -9.578 -3.511 1.00 0.00 H new ATOM 296 N GLY A 23 -7.983 -5.841 -5.032 1.00 0.00 N ATOM 297 CA GLY A 23 -8.260 -4.741 -5.941 1.00 0.00 C ATOM 298 C GLY A 23 -8.354 -3.415 -5.183 1.00 0.00 C ATOM 299 O GLY A 23 -8.068 -3.356 -3.989 1.00 0.00 O ATOM 0 H GLY A 23 -8.798 -6.197 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.474 -4.679 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.194 -4.928 -6.471 1.00 0.00 H new ATOM 303 N ASN A 24 -8.757 -2.383 -5.910 1.00 0.00 N ATOM 304 CA ASN A 24 -8.892 -1.061 -5.322 1.00 0.00 C ATOM 305 C ASN A 24 -7.658 -0.757 -4.471 1.00 0.00 C ATOM 306 O ASN A 24 -7.752 -0.062 -3.461 1.00 0.00 O ATOM 307 CB ASN A 24 -10.122 -0.986 -4.415 1.00 0.00 C ATOM 308 CG ASN A 24 -10.774 0.397 -4.489 1.00 0.00 C ATOM 309 OD1 ASN A 24 -10.396 1.248 -5.276 1.00 0.00 O ATOM 310 ND2 ASN A 24 -11.773 0.570 -3.627 1.00 0.00 N ATOM 0 H ASN A 24 -8.994 -2.436 -6.901 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.996 -0.340 -6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.843 -1.748 -4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.833 -1.201 -3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.274 1.458 -3.598 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.038 -0.186 -2.995 1.00 0.00 H new ATOM 317 N VAL A 25 -6.529 -1.293 -4.911 1.00 0.00 N ATOM 318 CA VAL A 25 -5.277 -1.087 -4.203 1.00 0.00 C ATOM 319 C VAL A 25 -4.860 0.380 -4.327 1.00 0.00 C ATOM 320 O VAL A 25 -4.213 0.765 -5.300 1.00 0.00 O ATOM 321 CB VAL A 25 -4.215 -2.057 -4.725 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.895 -1.883 -3.970 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.706 -3.503 -4.645 1.00 0.00 C ATOM 0 H VAL A 25 -6.455 -1.870 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.400 -1.301 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.034 -1.823 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.157 -2.584 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.532 -0.864 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.054 -2.077 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.932 -4.171 -5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.929 -3.755 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.607 -3.615 -5.248 1.00 0.00 H new ATOM 333 N VAL A 26 -5.248 1.159 -3.328 1.00 0.00 N ATOM 334 CA VAL A 26 -4.923 2.575 -3.313 1.00 0.00 C ATOM 335 C VAL A 26 -3.830 2.832 -2.274 1.00 0.00 C ATOM 336 O VAL A 26 -3.425 1.920 -1.556 1.00 0.00 O ATOM 337 CB VAL A 26 -6.188 3.400 -3.067 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.240 3.124 -4.144 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.752 3.136 -1.670 1.00 0.00 C ATOM 0 H VAL A 26 -5.785 0.836 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.531 2.887 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.917 4.454 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.129 3.723 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.837 3.386 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.504 2.067 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.651 3.735 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.000 2.079 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.008 3.406 -0.920 1.00 0.00 H new ATOM 349 N TRP A 27 -3.384 4.079 -2.227 1.00 0.00 N ATOM 350 CA TRP A 27 -2.346 4.468 -1.288 1.00 0.00 C ATOM 351 C TRP A 27 -2.512 5.959 -0.990 1.00 0.00 C ATOM 352 O TRP A 27 -3.398 6.611 -1.541 1.00 0.00 O ATOM 353 CB TRP A 27 -0.959 4.116 -1.828 1.00 0.00 C ATOM 354 CG TRP A 27 -0.633 4.765 -3.175 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.856 4.274 -4.402 1.00 0.00 C ATOM 356 CD2 TRP A 27 -0.011 6.051 -3.382 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.426 5.147 -5.381 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.104 6.261 -4.741 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.438 7.005 -2.452 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.667 7.419 -5.292 1.00 0.00 C ATOM 361 CZ3 TRP A 27 0.998 8.156 -3.019 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.122 8.383 -4.385 1.00 0.00 C ATOM 0 H TRP A 27 -3.723 4.833 -2.824 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.443 3.914 -0.354 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.208 4.420 -1.099 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.884 3.033 -1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.314 3.316 -4.600 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.486 5.001 -6.389 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.357 6.861 -1.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.746 7.561 -6.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.359 8.921 -2.348 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.567 9.299 -4.745 1.00 0.00 H new ATOM 373 N ASN A 28 -1.646 6.456 -0.120 1.00 0.00 N ATOM 374 CA ASN A 28 -1.686 7.859 0.258 1.00 0.00 C ATOM 375 C ASN A 28 -0.357 8.245 0.910 1.00 0.00 C ATOM 376 O ASN A 28 0.370 7.383 1.404 1.00 0.00 O ATOM 377 CB ASN A 28 -2.803 8.127 1.267 1.00 0.00 C ATOM 378 CG ASN A 28 -4.163 8.213 0.571 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.976 7.305 0.626 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.363 9.352 -0.086 1.00 0.00 N ATOM 0 H ASN A 28 -0.912 5.913 0.334 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.867 8.445 -0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.822 7.333 2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.603 9.058 1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.240 9.506 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.640 10.071 -0.091 1.00 0.00 H new ATOM 387 N ALA A 29 -0.079 9.540 0.891 1.00 0.00 N ATOM 388 CA ALA A 29 1.150 10.050 1.475 1.00 0.00 C ATOM 389 C ALA A 29 0.848 11.339 2.242 1.00 0.00 C ATOM 390 O ALA A 29 0.336 12.300 1.672 1.00 0.00 O ATOM 391 CB ALA A 29 2.191 10.258 0.373 1.00 0.00 C ATOM 0 H ALA A 29 -0.684 10.252 0.480 1.00 0.00 H new ATOM 0 HA ALA A 29 1.564 9.333 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.113 10.641 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.391 9.308 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.811 10.974 -0.356 1.00 0.00 H new ATOM 397 N THR A 30 1.179 11.317 3.525 1.00 0.00 N ATOM 398 CA THR A 30 0.950 12.471 4.377 1.00 0.00 C ATOM 399 C THR A 30 1.984 12.516 5.504 1.00 0.00 C ATOM 400 O THR A 30 2.613 11.506 5.815 1.00 0.00 O ATOM 401 CB THR A 30 -0.494 12.410 4.879 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.544 13.388 5.914 1.00 0.00 O ATOM 403 CG2 THR A 30 -0.809 11.094 5.594 1.00 0.00 C ATOM 0 H THR A 30 1.604 10.518 3.995 1.00 0.00 H new ATOM 0 HA THR A 30 1.078 13.402 3.824 1.00 0.00 H new ATOM 0 HB THR A 30 -1.176 12.540 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.447 13.416 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.846 11.102 5.930 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.657 10.261 4.907 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.149 10.980 6.454 1.00 0.00 H new ATOM 411 N ASP A 31 2.128 13.698 6.085 1.00 0.00 N ATOM 412 CA ASP A 31 3.074 13.888 7.171 1.00 0.00 C ATOM 413 C ASP A 31 4.397 13.207 6.814 1.00 0.00 C ATOM 414 O ASP A 31 5.252 13.806 6.165 1.00 0.00 O ATOM 415 CB ASP A 31 2.556 13.264 8.469 1.00 0.00 C ATOM 416 CG ASP A 31 1.535 14.111 9.231 1.00 0.00 C ATOM 417 OD1 ASP A 31 1.722 15.347 9.246 1.00 0.00 O ATOM 418 OD2 ASP A 31 0.592 13.504 9.781 1.00 0.00 O ATOM 0 H ASP A 31 1.605 14.534 5.824 1.00 0.00 H new ATOM 0 HA ASP A 31 3.210 14.960 7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.104 12.300 8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.405 13.068 9.124 1.00 0.00 H new ATOM 423 N THR A 32 4.523 11.963 7.254 1.00 0.00 N ATOM 424 CA THR A 32 5.727 11.194 6.989 1.00 0.00 C ATOM 425 C THR A 32 5.425 9.695 7.043 1.00 0.00 C ATOM 426 O THR A 32 6.183 8.926 7.631 1.00 0.00 O ATOM 427 CB THR A 32 6.799 11.634 7.988 1.00 0.00 C ATOM 428 OG1 THR A 32 6.176 11.472 9.260 1.00 0.00 O ATOM 429 CG2 THR A 32 7.095 13.133 7.907 1.00 0.00 C ATOM 0 H THR A 32 3.811 11.469 7.792 1.00 0.00 H new ATOM 0 HA THR A 32 6.103 11.382 5.983 1.00 0.00 H new ATOM 0 HB THR A 32 7.716 11.072 7.807 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.802 11.733 9.967 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.862 13.392 8.636 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.448 13.381 6.906 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.186 13.695 8.121 1.00 0.00 H new ATOM 437 N LYS A 33 4.315 9.325 6.421 1.00 0.00 N ATOM 438 CA LYS A 33 3.903 7.932 6.391 1.00 0.00 C ATOM 439 C LYS A 33 3.093 7.672 5.119 1.00 0.00 C ATOM 440 O LYS A 33 2.595 8.607 4.494 1.00 0.00 O ATOM 441 CB LYS A 33 3.162 7.565 7.678 1.00 0.00 C ATOM 442 CG LYS A 33 2.689 6.110 7.641 1.00 0.00 C ATOM 443 CD LYS A 33 1.998 5.725 8.951 1.00 0.00 C ATOM 444 CE LYS A 33 2.952 4.957 9.869 1.00 0.00 C ATOM 445 NZ LYS A 33 3.304 5.774 11.051 1.00 0.00 N ATOM 0 H LYS A 33 3.688 9.966 5.934 1.00 0.00 H new ATOM 0 HA LYS A 33 4.774 7.277 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.818 7.717 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.306 8.226 7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.001 5.969 6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.540 5.451 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.644 6.623 9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.121 5.113 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.486 4.025 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.856 4.690 9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.952 5.238 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.768 6.652 10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.440 6.008 11.581 1.00 0.00 H new ATOM 459 N VAL A 34 2.988 6.397 4.773 1.00 0.00 N ATOM 460 CA VAL A 34 2.248 6.002 3.587 1.00 0.00 C ATOM 461 C VAL A 34 1.061 5.128 4.000 1.00 0.00 C ATOM 462 O VAL A 34 1.241 3.978 4.396 1.00 0.00 O ATOM 463 CB VAL A 34 3.182 5.310 2.593 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.387 4.564 1.520 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.150 6.313 1.961 1.00 0.00 C ATOM 0 H VAL A 34 3.403 5.624 5.294 1.00 0.00 H new ATOM 0 HA VAL A 34 1.846 6.878 3.078 1.00 0.00 H new ATOM 0 HB VAL A 34 3.771 4.576 3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.076 4.081 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.759 3.809 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.759 5.270 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.803 5.795 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.585 7.081 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.753 6.778 2.741 1.00 0.00 H new ATOM 475 N LEU A 35 -0.125 5.708 3.892 1.00 0.00 N ATOM 476 CA LEU A 35 -1.341 4.997 4.249 1.00 0.00 C ATOM 477 C LEU A 35 -1.840 4.209 3.036 1.00 0.00 C ATOM 478 O LEU A 35 -2.188 4.794 2.011 1.00 0.00 O ATOM 479 CB LEU A 35 -2.379 5.964 4.823 1.00 0.00 C ATOM 480 CG LEU A 35 -1.894 6.874 5.954 1.00 0.00 C ATOM 481 CD1 LEU A 35 -1.102 6.081 6.995 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.092 8.055 5.402 1.00 0.00 C ATOM 0 H LEU A 35 -0.270 6.662 3.562 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.141 4.274 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.750 6.591 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.225 5.382 5.189 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.768 7.286 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.769 6.752 7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.737 5.304 7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.235 5.622 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.759 8.686 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.225 7.683 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.720 8.639 4.729 1.00 0.00 H new ATOM 494 N LEU A 36 -1.860 2.893 3.193 1.00 0.00 N ATOM 495 CA LEU A 36 -2.310 2.019 2.124 1.00 0.00 C ATOM 496 C LEU A 36 -3.759 1.602 2.388 1.00 0.00 C ATOM 497 O LEU A 36 -4.222 1.640 3.527 1.00 0.00 O ATOM 498 CB LEU A 36 -1.351 0.838 1.957 1.00 0.00 C ATOM 499 CG LEU A 36 0.085 1.191 1.566 1.00 0.00 C ATOM 500 CD1 LEU A 36 0.875 -0.064 1.191 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.108 2.238 0.450 1.00 0.00 C ATOM 0 H LEU A 36 -1.572 2.412 4.045 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.298 2.547 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.325 0.281 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.759 0.169 1.200 1.00 0.00 H new ATOM 0 HG LEU A 36 0.576 1.634 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.892 0.215 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.902 -0.745 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.394 -0.558 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.141 2.471 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.407 1.846 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.394 3.144 0.790 1.00 0.00 H new ATOM 513 N ASN A 37 -4.434 1.214 1.316 1.00 0.00 N ATOM 514 CA ASN A 37 -5.820 0.790 1.418 1.00 0.00 C ATOM 515 C ASN A 37 -6.210 0.026 0.150 1.00 0.00 C ATOM 516 O ASN A 37 -6.091 0.551 -0.956 1.00 0.00 O ATOM 517 CB ASN A 37 -6.755 1.994 1.551 1.00 0.00 C ATOM 518 CG ASN A 37 -6.061 3.150 2.273 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.474 4.022 1.458 1.00 0.00 O flip ATOM 520 ND2 ASN A 37 -6.060 3.245 3.489 1.00 0.00 N flip ATOM 0 H ASN A 37 -4.047 1.184 0.373 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.916 0.159 2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.077 2.320 0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.651 1.704 2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.530 2.540 4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.589 4.030 3.939 1.00 0.00 H new ATOM 527 N TRP A 38 -6.667 -1.200 0.354 1.00 0.00 N ATOM 528 CA TRP A 38 -7.074 -2.042 -0.758 1.00 0.00 C ATOM 529 C TRP A 38 -8.345 -2.787 -0.346 1.00 0.00 C ATOM 530 O TRP A 38 -8.728 -2.769 0.823 1.00 0.00 O ATOM 531 CB TRP A 38 -5.941 -2.979 -1.181 1.00 0.00 C ATOM 532 CG TRP A 38 -5.467 -3.921 -0.072 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.878 -5.172 0.179 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.469 -3.635 0.930 1.00 0.00 C ATOM 535 NE1 TRP A 38 -5.220 -5.711 1.266 1.00 0.00 N ATOM 536 CE2 TRP A 38 -4.336 -4.747 1.737 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.704 -2.476 1.148 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.447 -4.809 2.816 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.820 -2.554 2.231 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.674 -3.665 3.053 1.00 0.00 C ATOM 0 H TRP A 38 -6.765 -1.631 1.273 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.294 -1.438 -1.638 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.273 -3.574 -2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.096 -2.380 -1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.629 -5.692 -0.397 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.357 -6.645 1.653 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.791 -1.595 0.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.361 -5.691 3.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.208 -1.689 2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.968 -3.647 3.870 1.00 0.00 H new ATOM 551 N GLU A 39 -8.963 -3.426 -1.329 1.00 0.00 N ATOM 552 CA GLU A 39 -10.183 -4.176 -1.083 1.00 0.00 C ATOM 553 C GLU A 39 -9.862 -5.490 -0.367 1.00 0.00 C ATOM 554 O GLU A 39 -8.757 -5.671 0.141 1.00 0.00 O ATOM 555 CB GLU A 39 -10.941 -4.433 -2.387 1.00 0.00 C ATOM 556 CG GLU A 39 -12.233 -3.616 -2.440 1.00 0.00 C ATOM 557 CD GLU A 39 -13.458 -4.512 -2.247 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.425 -5.641 -2.783 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.399 -4.048 -1.569 1.00 0.00 O ATOM 0 H GLU A 39 -8.642 -3.440 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.829 -3.581 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.308 -4.175 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.174 -5.494 -2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.214 -2.849 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.302 -3.101 -3.398 1.00 0.00 H new ATOM 566 N GLN A 40 -10.850 -6.373 -0.348 1.00 0.00 N ATOM 567 CA GLN A 40 -10.687 -7.665 0.297 1.00 0.00 C ATOM 568 C GLN A 40 -10.684 -8.783 -0.747 1.00 0.00 C ATOM 569 O GLN A 40 -10.958 -8.542 -1.921 1.00 0.00 O ATOM 570 CB GLN A 40 -11.778 -7.895 1.345 1.00 0.00 C ATOM 571 CG GLN A 40 -13.152 -7.495 0.804 1.00 0.00 C ATOM 572 CD GLN A 40 -14.267 -7.961 1.741 1.00 0.00 C ATOM 573 OE1 GLN A 40 -14.052 -8.706 2.683 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.469 -7.482 1.432 1.00 0.00 N ATOM 0 H GLN A 40 -11.766 -6.219 -0.769 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.726 -7.674 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.790 -8.945 1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.554 -7.317 2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.199 -6.412 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.298 -7.929 -0.185 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.580 -6.862 0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.279 -7.734 1.998 1.00 0.00 H new ATOM 583 N VAL A 41 -10.371 -9.983 -0.281 1.00 0.00 N ATOM 584 CA VAL A 41 -10.328 -11.140 -1.159 1.00 0.00 C ATOM 585 C VAL A 41 -11.071 -12.303 -0.500 1.00 0.00 C ATOM 586 O VAL A 41 -10.637 -12.817 0.530 1.00 0.00 O ATOM 587 CB VAL A 41 -8.878 -11.478 -1.510 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.718 -12.971 -1.801 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.387 -10.634 -2.688 1.00 0.00 C ATOM 0 H VAL A 41 -10.145 -10.179 0.694 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.833 -10.924 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.260 -11.237 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.678 -13.184 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.008 -13.546 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.354 -13.248 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.354 -10.895 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.011 -10.828 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.446 -9.577 -2.428 1.00 0.00 H new ATOM 599 N LYS A 42 -12.178 -12.685 -1.120 1.00 0.00 N ATOM 600 CA LYS A 42 -12.984 -13.779 -0.606 1.00 0.00 C ATOM 601 C LYS A 42 -12.722 -15.035 -1.439 1.00 0.00 C ATOM 602 O LYS A 42 -13.099 -15.100 -2.608 1.00 0.00 O ATOM 603 CB LYS A 42 -14.459 -13.376 -0.549 1.00 0.00 C ATOM 604 CG LYS A 42 -14.767 -12.603 0.735 1.00 0.00 C ATOM 605 CD LYS A 42 -16.252 -12.242 0.815 1.00 0.00 C ATOM 606 CE LYS A 42 -16.915 -12.912 2.020 1.00 0.00 C ATOM 607 NZ LYS A 42 -18.247 -12.320 2.275 1.00 0.00 N ATOM 0 H LYS A 42 -12.536 -12.256 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.700 -14.012 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.706 -12.762 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.085 -14.267 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.488 -13.203 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.166 -11.694 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.363 -11.160 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.755 -12.552 -0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.015 -13.982 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.284 -12.795 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.683 -12.786 3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.144 -11.303 2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.852 -12.454 1.440 1.00 0.00 H new ATOM 621 N ALA A 43 -12.077 -16.003 -0.804 1.00 0.00 N ATOM 622 CA ALA A 43 -11.760 -17.254 -1.471 1.00 0.00 C ATOM 623 C ALA A 43 -13.023 -17.807 -2.136 1.00 0.00 C ATOM 624 O ALA A 43 -14.133 -17.383 -1.818 1.00 0.00 O ATOM 625 CB ALA A 43 -11.157 -18.233 -0.462 1.00 0.00 C ATOM 0 H ALA A 43 -11.765 -15.946 0.166 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.018 -17.094 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.919 -19.171 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.247 -17.806 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.874 -18.420 0.337 1.00 0.00 H new ATOM 677 N GLU A 47 -11.723 -23.324 -1.572 1.00 0.00 N ATOM 678 CA GLU A 47 -10.538 -22.486 -1.500 1.00 0.00 C ATOM 679 C GLU A 47 -10.309 -22.013 -0.063 1.00 0.00 C ATOM 680 O GLU A 47 -11.238 -21.993 0.743 1.00 0.00 O ATOM 681 CB GLU A 47 -10.647 -21.298 -2.458 1.00 0.00 C ATOM 682 CG GLU A 47 -10.544 -21.757 -3.914 1.00 0.00 C ATOM 683 CD GLU A 47 -9.226 -21.299 -4.542 1.00 0.00 C ATOM 684 OE1 GLU A 47 -8.173 -21.645 -3.965 1.00 0.00 O ATOM 685 OE2 GLU A 47 -9.302 -20.613 -5.584 1.00 0.00 O ATOM 0 HA GLU A 47 -9.678 -23.080 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.596 -20.785 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.857 -20.579 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.616 -22.844 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.382 -21.357 -4.485 1.00 0.00 H new ATOM 692 N SER A 48 -9.067 -21.642 0.213 1.00 0.00 N ATOM 693 CA SER A 48 -8.705 -21.170 1.539 1.00 0.00 C ATOM 694 C SER A 48 -8.926 -19.659 1.635 1.00 0.00 C ATOM 695 O SER A 48 -8.293 -18.888 0.915 1.00 0.00 O ATOM 696 CB SER A 48 -7.251 -21.515 1.868 1.00 0.00 C ATOM 697 OG SER A 48 -7.142 -22.751 2.569 1.00 0.00 O ATOM 0 H SER A 48 -8.299 -21.659 -0.458 1.00 0.00 H new ATOM 0 HA SER A 48 -9.343 -21.671 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.673 -21.569 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.816 -20.717 2.470 1.00 0.00 H new ATOM 0 HG SER A 48 -6.199 -22.937 2.759 1.00 0.00 H new ATOM 703 N GLU A 49 -9.827 -19.281 2.530 1.00 0.00 N ATOM 704 CA GLU A 49 -10.140 -17.876 2.729 1.00 0.00 C ATOM 705 C GLU A 49 -8.884 -17.106 3.142 1.00 0.00 C ATOM 706 O GLU A 49 -7.912 -17.700 3.608 1.00 0.00 O ATOM 707 CB GLU A 49 -11.254 -17.703 3.763 1.00 0.00 C ATOM 708 CG GLU A 49 -10.707 -17.841 5.186 1.00 0.00 C ATOM 709 CD GLU A 49 -11.725 -18.527 6.100 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.137 -19.652 5.746 1.00 0.00 O ATOM 711 OE2 GLU A 49 -12.067 -17.910 7.132 1.00 0.00 O ATOM 0 H GLU A 49 -10.350 -19.923 3.125 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.500 -17.467 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.719 -16.725 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.031 -18.449 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.782 -18.417 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.462 -16.856 5.583 1.00 0.00 H new ATOM 718 N VAL A 50 -8.944 -15.795 2.957 1.00 0.00 N ATOM 719 CA VAL A 50 -7.823 -14.938 3.305 1.00 0.00 C ATOM 720 C VAL A 50 -7.869 -14.629 4.802 1.00 0.00 C ATOM 721 O VAL A 50 -8.854 -14.082 5.297 1.00 0.00 O ATOM 722 CB VAL A 50 -7.837 -13.680 2.434 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.763 -12.688 2.887 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.667 -14.035 0.955 1.00 0.00 C ATOM 0 H VAL A 50 -9.751 -15.306 2.571 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.878 -15.444 3.107 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.808 -13.200 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.794 -11.803 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.948 -12.399 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.781 -13.155 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.680 -13.123 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.717 -14.549 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.483 -14.686 0.641 1.00 0.00 H new ATOM 734 N THR A 51 -6.792 -14.993 5.483 1.00 0.00 N ATOM 735 CA THR A 51 -6.697 -14.761 6.914 1.00 0.00 C ATOM 736 C THR A 51 -5.834 -13.530 7.199 1.00 0.00 C ATOM 737 O THR A 51 -5.749 -13.077 8.339 1.00 0.00 O ATOM 738 CB THR A 51 -6.166 -16.039 7.566 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.931 -16.282 6.898 1.00 0.00 O ATOM 740 CG2 THR A 51 -7.018 -17.265 7.230 1.00 0.00 C ATOM 0 H THR A 51 -5.977 -15.447 5.070 1.00 0.00 H new ATOM 0 HA THR A 51 -7.674 -14.541 7.344 1.00 0.00 H new ATOM 0 HB THR A 51 -6.130 -15.907 8.647 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.517 -17.093 7.260 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.598 -18.145 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.037 -17.107 7.582 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.026 -17.417 6.151 1.00 0.00 H new ATOM 748 N GLY A 52 -5.215 -13.024 6.142 1.00 0.00 N ATOM 749 CA GLY A 52 -4.361 -11.854 6.264 1.00 0.00 C ATOM 750 C GLY A 52 -3.863 -11.393 4.893 1.00 0.00 C ATOM 751 O GLY A 52 -4.460 -11.723 3.869 1.00 0.00 O ATOM 0 H GLY A 52 -5.288 -13.403 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.912 -11.046 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.510 -12.086 6.905 1.00 0.00 H new ATOM 755 N TYR A 53 -2.775 -10.638 4.917 1.00 0.00 N ATOM 756 CA TYR A 53 -2.190 -10.128 3.688 1.00 0.00 C ATOM 757 C TYR A 53 -0.712 -9.786 3.885 1.00 0.00 C ATOM 758 O TYR A 53 -0.258 -9.608 5.014 1.00 0.00 O ATOM 759 CB TYR A 53 -2.959 -8.848 3.355 1.00 0.00 C ATOM 760 CG TYR A 53 -4.323 -9.091 2.707 1.00 0.00 C ATOM 761 CD1 TYR A 53 -4.416 -9.262 1.340 1.00 0.00 C ATOM 762 CD2 TYR A 53 -5.459 -9.139 3.488 1.00 0.00 C ATOM 763 CE1 TYR A 53 -5.700 -9.491 0.730 1.00 0.00 C ATOM 764 CE2 TYR A 53 -6.743 -9.368 2.877 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.800 -9.533 1.528 1.00 0.00 C ATOM 766 OH TYR A 53 -8.013 -9.749 0.952 1.00 0.00 O ATOM 0 H TYR A 53 -2.283 -10.367 5.768 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.254 -10.872 2.894 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.101 -8.273 4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.354 -8.237 2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.526 -9.224 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.386 -9.005 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.787 -9.626 -0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.640 -9.408 3.476 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.075 -9.238 0.118 1.00 0.00 H new ATOM 776 N LYS A 54 -0.003 -9.703 2.769 1.00 0.00 N ATOM 777 CA LYS A 54 1.414 -9.385 2.805 1.00 0.00 C ATOM 778 C LYS A 54 1.683 -8.175 1.909 1.00 0.00 C ATOM 779 O LYS A 54 1.469 -8.233 0.699 1.00 0.00 O ATOM 780 CB LYS A 54 2.249 -10.615 2.444 1.00 0.00 C ATOM 781 CG LYS A 54 1.887 -11.805 3.336 1.00 0.00 C ATOM 782 CD LYS A 54 2.808 -12.996 3.062 1.00 0.00 C ATOM 783 CE LYS A 54 3.331 -13.596 4.369 1.00 0.00 C ATOM 784 NZ LYS A 54 4.794 -13.801 4.296 1.00 0.00 N ATOM 0 H LYS A 54 -0.383 -9.850 1.834 1.00 0.00 H new ATOM 0 HA LYS A 54 1.717 -9.108 3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.085 -10.876 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.309 -10.384 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.964 -11.515 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.851 -12.094 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.267 -13.757 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.646 -12.677 2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.092 -12.934 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.834 -14.546 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.014 -14.801 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.135 -13.537 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.264 -13.209 5.010 1.00 0.00 H new ATOM 798 N VAL A 55 2.150 -7.105 2.537 1.00 0.00 N ATOM 799 CA VAL A 55 2.451 -5.883 1.812 1.00 0.00 C ATOM 800 C VAL A 55 3.915 -5.905 1.369 1.00 0.00 C ATOM 801 O VAL A 55 4.819 -5.802 2.197 1.00 0.00 O ATOM 802 CB VAL A 55 2.104 -4.666 2.671 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.297 -3.367 1.886 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.679 -4.769 3.219 1.00 0.00 C ATOM 0 H VAL A 55 2.327 -7.060 3.540 1.00 0.00 H new ATOM 0 HA VAL A 55 1.841 -5.813 0.912 1.00 0.00 H new ATOM 0 HB VAL A 55 2.788 -4.649 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.043 -2.518 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.336 -3.285 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.649 -3.372 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.458 -3.891 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.027 -4.824 2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.589 -5.666 3.832 1.00 0.00 H new ATOM 814 N PHE A 56 4.104 -6.040 0.065 1.00 0.00 N ATOM 815 CA PHE A 56 5.443 -6.077 -0.498 1.00 0.00 C ATOM 816 C PHE A 56 5.883 -4.686 -0.959 1.00 0.00 C ATOM 817 O PHE A 56 5.488 -4.229 -2.031 1.00 0.00 O ATOM 818 CB PHE A 56 5.394 -7.010 -1.709 1.00 0.00 C ATOM 819 CG PHE A 56 5.427 -8.497 -1.350 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.345 -9.081 -0.768 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.539 -9.236 -1.613 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.376 -10.461 -0.435 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.570 -10.616 -1.280 1.00 0.00 C ATOM 824 CZ PHE A 56 5.488 -11.199 -0.698 1.00 0.00 C ATOM 0 H PHE A 56 3.352 -6.125 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 56 6.153 -6.423 0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.487 -6.804 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.237 -6.786 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.462 -8.495 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.398 -8.773 -2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.517 -10.925 0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.453 -11.202 -1.489 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.512 -12.249 -0.444 1.00 0.00 H new ATOM 834 N TYR A 57 6.694 -4.050 -0.126 1.00 0.00 N ATOM 835 CA TYR A 57 7.191 -2.720 -0.434 1.00 0.00 C ATOM 836 C TYR A 57 8.681 -2.759 -0.781 1.00 0.00 C ATOM 837 O TYR A 57 9.464 -3.418 -0.099 1.00 0.00 O ATOM 838 CB TYR A 57 6.998 -1.892 0.838 1.00 0.00 C ATOM 839 CG TYR A 57 7.486 -2.585 2.112 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.652 -3.452 2.788 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.759 -2.342 2.584 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.111 -4.104 3.987 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.219 -2.994 3.784 1.00 0.00 C ATOM 844 CZ TYR A 57 8.372 -3.842 4.426 1.00 0.00 C ATOM 845 OH TYR A 57 8.806 -4.458 5.558 1.00 0.00 O ATOM 0 H TYR A 57 7.019 -4.432 0.762 1.00 0.00 H new ATOM 0 HA TYR A 57 6.661 -2.301 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.526 -0.945 0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.940 -1.655 0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.655 -3.641 2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.411 -1.663 2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.469 -4.785 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.213 -2.813 4.165 1.00 0.00 H new ATOM 0 HH TYR A 57 9.725 -4.178 5.751 1.00 0.00 H new ATOM 855 N ARG A 58 9.027 -2.044 -1.841 1.00 0.00 N ATOM 856 CA ARG A 58 10.409 -1.988 -2.287 1.00 0.00 C ATOM 857 C ARG A 58 10.661 -0.701 -3.076 1.00 0.00 C ATOM 858 O ARG A 58 9.899 -0.365 -3.981 1.00 0.00 O ATOM 859 CB ARG A 58 10.753 -3.192 -3.166 1.00 0.00 C ATOM 860 CG ARG A 58 9.585 -3.552 -4.086 1.00 0.00 C ATOM 861 CD ARG A 58 10.085 -4.194 -5.382 1.00 0.00 C ATOM 862 NE ARG A 58 10.619 -3.153 -6.289 1.00 0.00 N ATOM 863 CZ ARG A 58 10.929 -3.366 -7.575 1.00 0.00 C ATOM 864 NH1 ARG A 58 10.761 -4.581 -8.113 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.408 -2.362 -8.323 1.00 0.00 N ATOM 0 H ARG A 58 8.375 -1.499 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 58 11.044 -2.005 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.636 -2.969 -3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.002 -4.047 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.911 -4.238 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.011 -2.655 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.861 -4.927 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.271 -4.730 -5.870 1.00 0.00 H new ATOM 0 HE ARG A 58 10.760 -2.216 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.397 -5.345 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.997 -4.742 -9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.536 -1.437 -7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.644 -2.523 -9.302 1.00 0.00 H new ATOM 879 N THR A 59 11.732 -0.017 -2.703 1.00 0.00 N ATOM 880 CA THR A 59 12.094 1.226 -3.364 1.00 0.00 C ATOM 881 C THR A 59 12.453 0.966 -4.829 1.00 0.00 C ATOM 882 O THR A 59 12.616 -0.183 -5.237 1.00 0.00 O ATOM 883 CB THR A 59 13.228 1.873 -2.567 1.00 0.00 C ATOM 884 OG1 THR A 59 12.630 2.196 -1.314 1.00 0.00 O ATOM 885 CG2 THR A 59 13.648 3.228 -3.140 1.00 0.00 C ATOM 0 H THR A 59 12.361 -0.299 -1.952 1.00 0.00 H new ATOM 0 HA THR A 59 11.255 1.921 -3.385 1.00 0.00 H new ATOM 0 HB THR A 59 14.088 1.204 -2.551 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.689 1.922 -1.320 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.456 3.643 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.991 3.098 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.797 3.909 -3.125 1.00 0.00 H new ATOM 893 N SER A 60 12.565 2.052 -5.579 1.00 0.00 N ATOM 894 CA SER A 60 12.901 1.956 -6.989 1.00 0.00 C ATOM 895 C SER A 60 14.268 1.290 -7.157 1.00 0.00 C ATOM 896 O SER A 60 15.301 1.920 -6.934 1.00 0.00 O ATOM 897 CB SER A 60 12.897 3.335 -7.652 1.00 0.00 C ATOM 898 OG SER A 60 14.191 3.705 -8.121 1.00 0.00 O ATOM 0 H SER A 60 12.429 3.003 -5.237 1.00 0.00 H new ATOM 0 HA SER A 60 12.143 1.345 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.195 3.334 -8.486 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.543 4.079 -6.939 1.00 0.00 H new ATOM 0 HG SER A 60 14.867 3.433 -7.465 1.00 0.00 H new ATOM 960 N VAL A 65 12.610 -7.239 -2.034 1.00 0.00 N ATOM 961 CA VAL A 65 11.447 -6.610 -1.430 1.00 0.00 C ATOM 962 C VAL A 65 11.164 -7.265 -0.077 1.00 0.00 C ATOM 963 O VAL A 65 11.525 -8.420 0.146 1.00 0.00 O ATOM 964 CB VAL A 65 10.257 -6.681 -2.389 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.861 -8.133 -2.666 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.069 -5.883 -1.849 1.00 0.00 C ATOM 0 HA VAL A 65 11.637 -5.552 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 65 10.562 -6.231 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.013 -8.155 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.703 -8.660 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.585 -8.620 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.237 -5.950 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.765 -6.290 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.357 -4.839 -1.727 1.00 0.00 H new ATOM 976 N GLN A 66 10.520 -6.500 0.792 1.00 0.00 N ATOM 977 CA GLN A 66 10.184 -6.991 2.118 1.00 0.00 C ATOM 978 C GLN A 66 8.703 -7.372 2.183 1.00 0.00 C ATOM 979 O GLN A 66 7.969 -7.194 1.213 1.00 0.00 O ATOM 980 CB GLN A 66 10.533 -5.958 3.190 1.00 0.00 C ATOM 981 CG GLN A 66 12.048 -5.793 3.320 1.00 0.00 C ATOM 982 CD GLN A 66 12.400 -4.843 4.467 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.649 -5.250 5.590 1.00 0.00 O ATOM 984 NE2 GLN A 66 12.407 -3.558 4.123 1.00 0.00 N ATOM 0 H GLN A 66 10.222 -5.543 0.604 1.00 0.00 H new ATOM 0 HA GLN A 66 10.777 -7.884 2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.080 -4.999 2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.114 -6.267 4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.510 -6.765 3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.457 -5.408 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.189 -3.285 3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.630 -2.845 4.818 1.00 0.00 H new ATOM 993 N VAL A 67 8.309 -7.888 3.338 1.00 0.00 N ATOM 994 CA VAL A 67 6.929 -8.295 3.543 1.00 0.00 C ATOM 995 C VAL A 67 6.452 -7.795 4.908 1.00 0.00 C ATOM 996 O VAL A 67 7.192 -7.857 5.889 1.00 0.00 O ATOM 997 CB VAL A 67 6.801 -9.811 3.383 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.507 -10.322 4.020 1.00 0.00 C ATOM 999 CG2 VAL A 67 6.885 -10.216 1.910 1.00 0.00 C ATOM 0 H VAL A 67 8.921 -8.034 4.141 1.00 0.00 H new ATOM 0 HA VAL A 67 6.282 -7.847 2.789 1.00 0.00 H new ATOM 0 HB VAL A 67 7.637 -10.275 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.441 -11.402 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.505 -10.081 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.652 -9.847 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.791 -11.299 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.079 -9.737 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.845 -9.901 1.500 1.00 0.00 H new ATOM 1009 N LEU A 68 5.219 -7.311 4.928 1.00 0.00 N ATOM 1010 CA LEU A 68 4.635 -6.801 6.157 1.00 0.00 C ATOM 1011 C LEU A 68 3.370 -7.597 6.484 1.00 0.00 C ATOM 1012 O LEU A 68 2.442 -7.653 5.678 1.00 0.00 O ATOM 1013 CB LEU A 68 4.403 -5.292 6.054 1.00 0.00 C ATOM 1014 CG LEU A 68 3.141 -4.759 6.737 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.403 -3.399 7.387 1.00 0.00 C ATOM 1016 CD2 LEU A 68 1.967 -4.710 5.758 1.00 0.00 C ATOM 0 H LEU A 68 4.608 -7.261 4.113 1.00 0.00 H new ATOM 0 HA LEU A 68 5.323 -6.938 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.266 -4.782 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.363 -5.022 4.999 1.00 0.00 H new ATOM 0 HG LEU A 68 2.866 -5.449 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.491 -3.042 7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.190 -3.499 8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.716 -2.686 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.083 -4.328 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.216 -4.054 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.764 -5.713 5.383 1.00 0.00 H new ATOM 1028 N ASN A 69 3.372 -8.192 7.667 1.00 0.00 N ATOM 1029 CA ASN A 69 2.236 -8.982 8.111 1.00 0.00 C ATOM 1030 C ASN A 69 1.167 -8.051 8.687 1.00 0.00 C ATOM 1031 O ASN A 69 1.440 -7.280 9.606 1.00 0.00 O ATOM 1032 CB ASN A 69 2.645 -9.968 9.207 1.00 0.00 C ATOM 1033 CG ASN A 69 3.941 -10.693 8.837 1.00 0.00 C ATOM 1034 OD1 ASN A 69 5.038 -10.202 9.045 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.753 -11.885 8.278 1.00 0.00 N ATOM 0 H ASN A 69 4.143 -8.143 8.333 1.00 0.00 H new ATOM 0 HA ASN A 69 1.854 -9.535 7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.778 -9.436 10.149 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.849 -10.696 9.362 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.555 -12.448 7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.807 -12.237 8.133 1.00 0.00 H new ATOM 1042 N THR A 70 -0.027 -8.154 8.123 1.00 0.00 N ATOM 1043 CA THR A 70 -1.139 -7.331 8.569 1.00 0.00 C ATOM 1044 C THR A 70 -2.454 -8.104 8.454 1.00 0.00 C ATOM 1045 O THR A 70 -2.673 -8.823 7.480 1.00 0.00 O ATOM 1046 CB THR A 70 -1.123 -6.035 7.756 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.228 -5.293 8.265 1.00 0.00 O ATOM 1048 CG2 THR A 70 -1.473 -6.262 6.284 1.00 0.00 C ATOM 0 H THR A 70 -0.249 -8.795 7.361 1.00 0.00 H new ATOM 0 HA THR A 70 -1.042 -7.072 9.623 1.00 0.00 H new ATOM 0 HB THR A 70 -0.138 -5.574 7.827 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.165 -5.240 9.242 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.447 -5.310 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.750 -6.946 5.839 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.472 -6.692 6.210 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.296 -7.930 9.462 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.584 -8.602 9.487 1.00 0.00 C ATOM 1058 C ASN A 71 -5.683 -7.601 9.126 1.00 0.00 C ATOM 1059 O ASN A 71 -6.695 -7.509 9.819 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.888 -9.157 10.880 1.00 0.00 C ATOM 1061 CG ASN A 71 -4.086 -10.432 11.149 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -2.947 -10.578 10.737 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -4.741 -11.343 11.863 1.00 0.00 N ATOM 0 H ASN A 71 -3.111 -7.333 10.268 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.551 -9.423 8.771 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.649 -8.407 11.634 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.954 -9.368 10.967 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.291 -12.228 12.097 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.693 -11.157 12.177 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.448 -6.878 8.041 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.406 -5.887 7.580 1.00 0.00 C ATOM 1072 C LYS A 72 -6.253 -5.702 6.069 1.00 0.00 C ATOM 1073 O LYS A 72 -5.382 -6.311 5.450 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.260 -4.589 8.377 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.867 -3.984 8.190 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.235 -3.636 9.539 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.086 -2.640 9.365 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.280 -1.466 10.246 1.00 0.00 N ATOM 0 H LYS A 72 -4.608 -6.959 7.468 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.425 -6.230 7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.017 -3.874 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.436 -4.786 9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.229 -4.689 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.936 -3.087 7.574 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.991 -3.213 10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.865 -4.543 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.138 -3.125 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.031 -2.317 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.492 -0.800 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.175 -0.995 10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.310 -1.777 11.238 1.00 0.00 H new ATOM 1092 N THR A 73 -7.113 -4.858 5.519 1.00 0.00 N ATOM 1093 CA THR A 73 -7.085 -4.584 4.092 1.00 0.00 C ATOM 1094 C THR A 73 -6.264 -3.325 3.807 1.00 0.00 C ATOM 1095 O THR A 73 -6.225 -2.849 2.673 1.00 0.00 O ATOM 1096 CB THR A 73 -8.531 -4.491 3.600 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.238 -3.933 4.703 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.172 -5.867 3.403 1.00 0.00 C ATOM 0 H THR A 73 -7.834 -4.354 6.036 1.00 0.00 H new ATOM 0 HA THR A 73 -6.591 -5.387 3.545 1.00 0.00 H new ATOM 0 HB THR A 73 -8.560 -3.939 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.185 -3.836 4.470 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.197 -5.744 3.053 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.602 -6.432 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.174 -6.406 4.350 1.00 0.00 H new ATOM 1106 N SER A 74 -5.628 -2.822 4.854 1.00 0.00 N ATOM 1107 CA SER A 74 -4.810 -1.628 4.730 1.00 0.00 C ATOM 1108 C SER A 74 -3.409 -1.893 5.285 1.00 0.00 C ATOM 1109 O SER A 74 -3.091 -3.019 5.665 1.00 0.00 O ATOM 1110 CB SER A 74 -5.452 -0.443 5.455 1.00 0.00 C ATOM 1111 OG SER A 74 -6.057 0.474 4.547 1.00 0.00 O ATOM 0 H SER A 74 -5.663 -3.220 5.793 1.00 0.00 H new ATOM 0 HA SER A 74 -4.733 -1.375 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.203 -0.810 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.695 0.075 6.043 1.00 0.00 H new ATOM 0 HG SER A 74 -5.359 0.956 4.056 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.608 -0.838 5.312 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.249 -0.943 5.814 1.00 0.00 C ATOM 1119 C ALA A 75 -0.638 0.456 5.917 1.00 0.00 C ATOM 1120 O ALA A 75 -1.245 1.436 5.487 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.438 -1.866 4.902 1.00 0.00 C ATOM 0 H ALA A 75 -2.874 0.094 4.994 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.242 -1.381 6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.582 -1.945 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.896 -2.855 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.421 -1.456 3.892 1.00 0.00 H new ATOM 1127 N GLU A 76 0.555 0.506 6.491 1.00 0.00 N ATOM 1128 CA GLU A 76 1.254 1.769 6.656 1.00 0.00 C ATOM 1129 C GLU A 76 2.760 1.570 6.473 1.00 0.00 C ATOM 1130 O GLU A 76 3.392 0.846 7.240 1.00 0.00 O ATOM 1131 CB GLU A 76 0.945 2.392 8.019 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.514 2.844 8.097 1.00 0.00 C ATOM 1133 CD GLU A 76 -0.985 2.928 9.551 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.470 2.127 10.361 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.849 3.791 9.818 1.00 0.00 O ATOM 0 H GLU A 76 1.055 -0.308 6.848 1.00 0.00 H new ATOM 0 HA GLU A 76 0.903 2.460 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.148 1.668 8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.603 3.244 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.623 3.817 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.145 2.146 7.546 1.00 0.00 H new ATOM 1142 N LEU A 77 3.291 2.226 5.451 1.00 0.00 N ATOM 1143 CA LEU A 77 4.711 2.130 5.158 1.00 0.00 C ATOM 1144 C LEU A 77 5.388 3.461 5.493 1.00 0.00 C ATOM 1145 O LEU A 77 4.738 4.388 5.972 1.00 0.00 O ATOM 1146 CB LEU A 77 4.930 1.676 3.713 1.00 0.00 C ATOM 1147 CG LEU A 77 4.389 0.290 3.357 1.00 0.00 C ATOM 1148 CD1 LEU A 77 5.175 -0.807 4.078 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.888 0.198 3.637 1.00 0.00 C ATOM 0 H LEU A 77 2.764 2.826 4.816 1.00 0.00 H new ATOM 0 HA LEU A 77 5.178 1.368 5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.467 2.406 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.000 1.691 3.507 1.00 0.00 H new ATOM 0 HG LEU A 77 4.526 0.135 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.770 -1.782 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.224 -0.756 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.092 -0.666 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.529 -0.797 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.703 0.384 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.360 0.942 3.041 1.00 0.00 H new ATOM 1161 N VAL A 78 6.685 3.512 5.227 1.00 0.00 N ATOM 1162 CA VAL A 78 7.457 4.714 5.495 1.00 0.00 C ATOM 1163 C VAL A 78 7.575 5.535 4.209 1.00 0.00 C ATOM 1164 O VAL A 78 7.517 4.986 3.110 1.00 0.00 O ATOM 1165 CB VAL A 78 8.814 4.341 6.094 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.643 3.606 7.425 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.638 3.508 5.109 1.00 0.00 C ATOM 0 H VAL A 78 7.221 2.741 4.829 1.00 0.00 H new ATOM 0 HA VAL A 78 6.952 5.337 6.233 1.00 0.00 H new ATOM 0 HB VAL A 78 9.359 5.265 6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.623 3.352 7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.115 4.248 8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.069 2.693 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.598 3.256 5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.099 2.592 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.804 4.082 4.197 1.00 0.00 H new ATOM 1177 N LEU A 79 7.740 6.837 4.390 1.00 0.00 N ATOM 1178 CA LEU A 79 7.867 7.740 3.259 1.00 0.00 C ATOM 1179 C LEU A 79 8.914 7.189 2.288 1.00 0.00 C ATOM 1180 O LEU A 79 9.854 6.512 2.702 1.00 0.00 O ATOM 1181 CB LEU A 79 8.162 9.163 3.739 1.00 0.00 C ATOM 1182 CG LEU A 79 9.185 9.291 4.869 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.456 8.501 4.551 1.00 0.00 C ATOM 1184 CD2 LEU A 79 9.484 10.760 5.174 1.00 0.00 C ATOM 0 H LEU A 79 7.789 7.288 5.303 1.00 0.00 H new ATOM 0 HA LEU A 79 6.926 7.802 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.515 9.746 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.227 9.615 4.069 1.00 0.00 H new ATOM 0 HG LEU A 79 8.754 8.856 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.166 8.609 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.207 7.448 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.901 8.883 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.214 10.823 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.886 11.242 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.565 11.263 5.476 1.00 0.00 H new ATOM 1196 N PRO A 80 8.711 7.509 0.982 1.00 0.00 N ATOM 1197 CA PRO A 80 9.626 7.054 -0.051 1.00 0.00 C ATOM 1198 C PRO A 80 10.929 7.856 -0.021 1.00 0.00 C ATOM 1199 O PRO A 80 10.916 9.074 -0.188 1.00 0.00 O ATOM 1200 CB PRO A 80 8.860 7.214 -1.354 1.00 0.00 C ATOM 1201 CG PRO A 80 7.726 8.181 -1.054 1.00 0.00 C ATOM 1202 CD PRO A 80 7.609 8.309 0.456 1.00 0.00 C ATOM 0 HA PRO A 80 9.936 6.018 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.506 7.602 -2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.474 6.255 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.924 9.153 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.791 7.817 -1.480 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.688 9.349 0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.647 7.940 0.811 1.00 0.00 H new ATOM 1210 N ILE A 81 12.023 7.139 0.192 1.00 0.00 N ATOM 1211 CA ILE A 81 13.331 7.768 0.246 1.00 0.00 C ATOM 1212 C ILE A 81 13.839 8.001 -1.178 1.00 0.00 C ATOM 1213 O ILE A 81 14.509 7.143 -1.750 1.00 0.00 O ATOM 1214 CB ILE A 81 14.286 6.945 1.113 1.00 0.00 C ATOM 1215 CG1 ILE A 81 13.669 6.650 2.481 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.647 7.634 1.235 1.00 0.00 C ATOM 1217 CD1 ILE A 81 12.871 5.344 2.452 1.00 0.00 C ATOM 0 H ILE A 81 12.030 6.128 0.329 1.00 0.00 H new ATOM 0 HA ILE A 81 13.265 8.745 0.725 1.00 0.00 H new ATOM 0 HB ILE A 81 14.453 5.986 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 81 14.456 6.583 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.017 7.472 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.307 7.028 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.086 7.750 0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.518 8.615 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.443 5.157 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.070 5.423 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 81 13.531 4.520 2.181 1.00 0.00 H new ATOM 1229 N LYS A 82 13.500 9.167 -1.710 1.00 0.00 N ATOM 1230 CA LYS A 82 13.913 9.523 -3.057 1.00 0.00 C ATOM 1231 C LYS A 82 13.304 8.533 -4.051 1.00 0.00 C ATOM 1232 O LYS A 82 12.154 8.686 -4.459 1.00 0.00 O ATOM 1233 CB LYS A 82 15.438 9.621 -3.141 1.00 0.00 C ATOM 1234 CG LYS A 82 15.917 11.034 -2.803 1.00 0.00 C ATOM 1235 CD LYS A 82 16.630 11.062 -1.450 1.00 0.00 C ATOM 1236 CE LYS A 82 15.637 11.300 -0.311 1.00 0.00 C ATOM 1237 NZ LYS A 82 15.254 12.728 -0.247 1.00 0.00 N ATOM 0 H LYS A 82 12.944 9.877 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 82 13.538 10.512 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.890 8.906 -2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.768 9.352 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.592 11.389 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.066 11.715 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.152 10.119 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.385 11.848 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.749 10.686 -0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.081 10.994 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.703 12.901 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.111 13.317 -0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.678 12.971 -1.078 1.00 0.00 H new ATOM 1251 N GLU A 83 14.104 7.541 -4.414 1.00 0.00 N ATOM 1252 CA GLU A 83 13.658 6.526 -5.353 1.00 0.00 C ATOM 1253 C GLU A 83 12.191 6.174 -5.098 1.00 0.00 C ATOM 1254 O GLU A 83 11.757 6.103 -3.949 1.00 0.00 O ATOM 1255 CB GLU A 83 14.542 5.280 -5.275 1.00 0.00 C ATOM 1256 CG GLU A 83 15.795 5.442 -6.138 1.00 0.00 C ATOM 1257 CD GLU A 83 17.062 5.195 -5.317 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.477 6.143 -4.615 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.588 4.065 -5.410 1.00 0.00 O ATOM 0 H GLU A 83 15.058 7.419 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 83 13.744 6.930 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.830 5.098 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.978 4.408 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.758 4.744 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.822 6.446 -6.562 1.00 0.00 H new ATOM 1266 N ASP A 84 11.468 5.962 -6.187 1.00 0.00 N ATOM 1267 CA ASP A 84 10.059 5.619 -6.096 1.00 0.00 C ATOM 1268 C ASP A 84 9.887 4.439 -5.138 1.00 0.00 C ATOM 1269 O ASP A 84 10.858 3.964 -4.552 1.00 0.00 O ATOM 1270 CB ASP A 84 9.503 5.206 -7.460 1.00 0.00 C ATOM 1271 CG ASP A 84 9.162 6.365 -8.398 1.00 0.00 C ATOM 1272 OD1 ASP A 84 10.070 6.767 -9.157 1.00 0.00 O ATOM 1273 OD2 ASP A 84 8.001 6.824 -8.334 1.00 0.00 O ATOM 0 H ASP A 84 11.832 6.021 -7.138 1.00 0.00 H new ATOM 0 HA ASP A 84 9.521 6.497 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.232 4.562 -7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.605 4.609 -7.303 1.00 0.00 H new ATOM 1278 N TYR A 85 8.644 4.000 -5.007 1.00 0.00 N ATOM 1279 CA TYR A 85 8.332 2.884 -4.130 1.00 0.00 C ATOM 1280 C TYR A 85 7.346 1.922 -4.796 1.00 0.00 C ATOM 1281 O TYR A 85 6.245 2.319 -5.174 1.00 0.00 O ATOM 1282 CB TYR A 85 7.673 3.493 -2.891 1.00 0.00 C ATOM 1283 CG TYR A 85 7.944 2.720 -1.599 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.236 2.367 -1.264 1.00 0.00 C ATOM 1285 CD2 TYR A 85 6.897 2.375 -0.768 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.491 1.639 -0.048 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.152 1.648 0.448 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.436 1.315 0.748 1.00 0.00 C ATOM 1289 OH TYR A 85 8.677 0.628 1.897 1.00 0.00 O ATOM 0 H TYR A 85 7.840 4.397 -5.494 1.00 0.00 H new ATOM 0 HA TYR A 85 9.234 2.321 -3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.026 4.517 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.596 3.544 -3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.055 2.637 -1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.886 2.651 -1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.497 1.357 0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.342 1.373 1.107 1.00 0.00 H new ATOM 0 HH TYR A 85 7.831 0.466 2.365 1.00 0.00 H new ATOM 1299 N ILE A 86 7.777 0.675 -4.919 1.00 0.00 N ATOM 1300 CA ILE A 86 6.946 -0.347 -5.533 1.00 0.00 C ATOM 1301 C ILE A 86 6.298 -1.196 -4.438 1.00 0.00 C ATOM 1302 O ILE A 86 6.969 -1.996 -3.788 1.00 0.00 O ATOM 1303 CB ILE A 86 7.757 -1.161 -6.543 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.916 -0.337 -7.107 1.00 0.00 C ATOM 1305 CG2 ILE A 86 6.856 -1.715 -7.649 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.416 0.985 -7.694 1.00 0.00 C ATOM 0 H ILE A 86 8.691 0.349 -4.604 1.00 0.00 H new ATOM 0 HA ILE A 86 6.137 0.111 -6.103 1.00 0.00 H new ATOM 0 HB ILE A 86 8.192 -2.015 -6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.642 -0.137 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.432 -0.909 -7.878 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.457 -2.290 -8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.096 -2.361 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.373 -0.890 -8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.260 1.551 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.709 0.782 -8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.922 1.565 -6.915 1.00 0.00 H new ATOM 1318 N ILE A 87 5.000 -0.993 -4.266 1.00 0.00 N ATOM 1319 CA ILE A 87 4.253 -1.730 -3.261 1.00 0.00 C ATOM 1320 C ILE A 87 3.430 -2.824 -3.944 1.00 0.00 C ATOM 1321 O ILE A 87 2.889 -2.614 -5.028 1.00 0.00 O ATOM 1322 CB ILE A 87 3.417 -0.774 -2.407 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.143 0.557 -2.202 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.027 -1.425 -1.078 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.689 1.236 -0.909 1.00 0.00 C ATOM 0 H ILE A 87 4.446 -0.328 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 87 4.933 -2.227 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 87 2.493 -0.557 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.219 0.387 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.950 1.215 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.434 -0.725 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.441 -2.324 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.928 -1.691 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.221 2.180 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.617 1.427 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.906 0.586 -0.061 1.00 0.00 H new ATOM 1337 N GLU A 88 3.362 -3.969 -3.280 1.00 0.00 N ATOM 1338 CA GLU A 88 2.615 -5.097 -3.810 1.00 0.00 C ATOM 1339 C GLU A 88 1.812 -5.772 -2.695 1.00 0.00 C ATOM 1340 O GLU A 88 2.376 -6.191 -1.685 1.00 0.00 O ATOM 1341 CB GLU A 88 3.546 -6.098 -4.497 1.00 0.00 C ATOM 1342 CG GLU A 88 3.602 -5.847 -6.006 1.00 0.00 C ATOM 1343 CD GLU A 88 3.519 -7.163 -6.783 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.167 -8.131 -6.331 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.810 -7.169 -7.813 1.00 0.00 O ATOM 0 H GLU A 88 3.812 -4.140 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 88 1.918 -4.725 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.547 -6.019 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.199 -7.113 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.781 -5.194 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.527 -5.329 -6.258 1.00 0.00 H new ATOM 1352 N VAL A 89 0.508 -5.856 -2.917 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.378 -6.472 -1.944 1.00 0.00 C ATOM 1354 C VAL A 89 -0.742 -7.882 -2.413 1.00 0.00 C ATOM 1355 O VAL A 89 -0.955 -8.108 -3.604 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.602 -5.584 -1.714 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.555 -6.216 -0.698 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.185 -4.179 -1.274 1.00 0.00 C ATOM 0 H VAL A 89 0.044 -5.508 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 89 0.122 -6.569 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.134 -5.495 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.417 -5.564 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.891 -7.185 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.037 -6.350 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.074 -3.568 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.619 -4.242 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.564 -3.725 -2.046 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.801 -8.794 -1.454 1.00 0.00 N ATOM 1369 CA LYS A 90 -1.136 -10.176 -1.755 1.00 0.00 C ATOM 1370 C LYS A 90 -1.716 -10.839 -0.504 1.00 0.00 C ATOM 1371 O LYS A 90 -1.099 -10.812 0.560 1.00 0.00 O ATOM 1372 CB LYS A 90 0.078 -10.907 -2.332 1.00 0.00 C ATOM 1373 CG LYS A 90 1.273 -10.822 -1.382 1.00 0.00 C ATOM 1374 CD LYS A 90 1.823 -12.214 -1.065 1.00 0.00 C ATOM 1375 CE LYS A 90 3.066 -12.516 -1.904 1.00 0.00 C ATOM 1376 NZ LYS A 90 2.733 -13.442 -3.009 1.00 0.00 N ATOM 0 H LYS A 90 -0.623 -8.603 -0.468 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.904 -10.223 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.174 -11.952 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.344 -10.473 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.056 -10.211 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.973 -10.327 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.070 -12.279 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.057 -12.965 -1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.473 -11.589 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.839 -12.955 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.289 -13.192 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.956 -14.417 -2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.719 -13.369 -3.229 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.894 -11.420 -0.674 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.564 -12.090 0.428 1.00 0.00 C ATOM 1392 C ALA A 91 -2.847 -13.407 0.731 1.00 0.00 C ATOM 1393 O ALA A 91 -2.358 -14.074 -0.179 1.00 0.00 O ATOM 1394 CB ALA A 91 -5.040 -12.295 0.080 1.00 0.00 C ATOM 0 H ALA A 91 -3.402 -11.441 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.524 -11.479 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.542 -12.798 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.510 -11.327 -0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.120 -12.906 -0.819 1.00 0.00 H new ATOM 1400 N THR A 92 -2.809 -13.742 2.012 1.00 0.00 N ATOM 1401 CA THR A 92 -2.160 -14.968 2.446 1.00 0.00 C ATOM 1402 C THR A 92 -3.163 -15.879 3.156 1.00 0.00 C ATOM 1403 O THR A 92 -4.159 -15.407 3.701 1.00 0.00 O ATOM 1404 CB THR A 92 -0.962 -14.586 3.318 1.00 0.00 C ATOM 1405 OG1 THR A 92 -0.490 -15.831 3.824 1.00 0.00 O ATOM 1406 CG2 THR A 92 -1.374 -13.807 4.570 1.00 0.00 C ATOM 0 H THR A 92 -3.217 -13.186 2.764 1.00 0.00 H new ATOM 0 HA THR A 92 -1.791 -15.543 1.596 1.00 0.00 H new ATOM 0 HB THR A 92 -0.263 -13.989 2.733 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.288 -15.676 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.487 -13.561 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.882 -12.888 4.276 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.047 -14.417 5.173 1.00 0.00 H new ATOM 1414 N THR A 93 -2.864 -17.170 3.127 1.00 0.00 N ATOM 1415 CA THR A 93 -3.727 -18.152 3.761 1.00 0.00 C ATOM 1416 C THR A 93 -2.892 -19.176 4.532 1.00 0.00 C ATOM 1417 O THR A 93 -1.666 -19.083 4.569 1.00 0.00 O ATOM 1418 CB THR A 93 -4.607 -18.778 2.678 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.677 -19.346 1.760 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.353 -17.728 1.851 1.00 0.00 C ATOM 0 H THR A 93 -2.036 -17.558 2.674 1.00 0.00 H new ATOM 0 HA THR A 93 -4.379 -17.687 4.501 1.00 0.00 H new ATOM 0 HB THR A 93 -5.326 -19.454 3.140 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.909 -18.746 1.659 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.963 -18.225 1.097 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.995 -17.138 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.633 -17.072 1.361 1.00 0.00 H new ATOM 1428 N ASP A 94 -3.590 -20.131 5.130 1.00 0.00 N ATOM 1429 CA ASP A 94 -2.928 -21.172 5.898 1.00 0.00 C ATOM 1430 C ASP A 94 -2.015 -21.980 4.973 1.00 0.00 C ATOM 1431 O ASP A 94 -0.987 -22.496 5.407 1.00 0.00 O ATOM 1432 CB ASP A 94 -3.946 -22.133 6.515 1.00 0.00 C ATOM 1433 CG ASP A 94 -3.868 -22.268 8.037 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -3.100 -21.486 8.637 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -4.579 -23.150 8.565 1.00 0.00 O ATOM 0 H ASP A 94 -4.607 -20.205 5.098 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.357 -20.693 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.948 -21.799 6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.809 -23.119 6.070 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.425 -22.065 3.716 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.657 -22.802 2.727 1.00 0.00 C ATOM 1442 C GLY A 95 -0.395 -22.033 2.329 1.00 0.00 C ATOM 1443 O GLY A 95 0.671 -22.624 2.169 1.00 0.00 O ATOM 0 H GLY A 95 -3.279 -21.636 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.382 -23.777 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.271 -22.982 1.845 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.559 -20.727 2.181 1.00 0.00 N ATOM 1448 CA GLY A 96 0.553 -19.871 1.804 1.00 0.00 C ATOM 1449 C GLY A 96 0.055 -18.526 1.273 1.00 0.00 C ATOM 1450 O GLY A 96 -1.148 -18.268 1.255 1.00 0.00 O ATOM 0 H GLY A 96 -1.445 -20.240 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.200 -19.708 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.155 -20.366 1.042 1.00 0.00 H new ATOM 1454 N ASP A 97 1.005 -17.703 0.854 1.00 0.00 N ATOM 1455 CA ASP A 97 0.678 -16.390 0.324 1.00 0.00 C ATOM 1456 C ASP A 97 -0.307 -16.545 -0.836 1.00 0.00 C ATOM 1457 O ASP A 97 -0.735 -17.655 -1.148 1.00 0.00 O ATOM 1458 CB ASP A 97 1.927 -15.683 -0.207 1.00 0.00 C ATOM 1459 CG ASP A 97 2.901 -16.581 -0.972 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.376 -17.558 -0.355 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.149 -16.269 -2.157 1.00 0.00 O ATOM 0 H ASP A 97 2.002 -17.920 0.871 1.00 0.00 H new ATOM 0 HA ASP A 97 0.245 -15.799 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.615 -14.870 -0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.455 -15.231 0.633 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.638 -15.415 -1.444 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.565 -15.411 -2.563 1.00 0.00 C ATOM 1468 C GLY A 98 -0.943 -14.737 -3.788 1.00 0.00 C ATOM 1469 O GLY A 98 0.248 -14.897 -4.051 1.00 0.00 O ATOM 0 H GLY A 98 -0.281 -14.496 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.846 -16.435 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.479 -14.888 -2.281 1.00 0.00 H new ATOM 1473 N THR A 99 -1.777 -13.998 -4.505 1.00 0.00 N ATOM 1474 CA THR A 99 -1.323 -13.300 -5.696 1.00 0.00 C ATOM 1475 C THR A 99 -0.955 -11.854 -5.358 1.00 0.00 C ATOM 1476 O THR A 99 -1.442 -11.299 -4.374 1.00 0.00 O ATOM 1477 CB THR A 99 -2.418 -13.416 -6.758 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.874 -14.761 -6.641 1.00 0.00 O ATOM 1479 CG2 THR A 99 -1.864 -13.333 -8.182 1.00 0.00 C ATOM 0 H THR A 99 -2.764 -13.867 -4.284 1.00 0.00 H new ATOM 0 HA THR A 99 -0.414 -13.749 -6.096 1.00 0.00 H new ATOM 0 HB THR A 99 -3.154 -12.626 -6.608 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.620 -14.908 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.682 -13.421 -8.897 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.361 -12.376 -8.322 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.153 -14.143 -8.344 1.00 0.00 H new ATOM 1487 N SER A 100 -0.098 -11.285 -6.193 1.00 0.00 N ATOM 1488 CA SER A 100 0.341 -9.914 -5.996 1.00 0.00 C ATOM 1489 C SER A 100 -0.409 -8.981 -6.950 1.00 0.00 C ATOM 1490 O SER A 100 -0.410 -9.197 -8.161 1.00 0.00 O ATOM 1491 CB SER A 100 1.851 -9.783 -6.204 1.00 0.00 C ATOM 1492 OG SER A 100 2.190 -9.656 -7.583 1.00 0.00 O ATOM 0 H SER A 100 0.304 -11.749 -7.008 1.00 0.00 H new ATOM 0 HA SER A 100 0.117 -9.629 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.218 -8.914 -5.659 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.352 -10.656 -5.786 1.00 0.00 H new ATOM 0 HG SER A 100 2.070 -8.725 -7.865 1.00 0.00 H new ATOM 1498 N SER A 101 -1.029 -7.965 -6.367 1.00 0.00 N ATOM 1499 CA SER A 101 -1.781 -7.000 -7.150 1.00 0.00 C ATOM 1500 C SER A 101 -0.829 -6.177 -8.020 1.00 0.00 C ATOM 1501 O SER A 101 0.368 -6.453 -8.070 1.00 0.00 O ATOM 1502 CB SER A 101 -2.604 -6.079 -6.247 1.00 0.00 C ATOM 1503 OG SER A 101 -1.785 -5.357 -5.332 1.00 0.00 O ATOM 0 H SER A 101 -1.026 -7.790 -5.362 1.00 0.00 H new ATOM 0 HA SER A 101 -2.472 -7.545 -7.793 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.167 -5.377 -6.862 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.332 -6.671 -5.692 1.00 0.00 H new ATOM 0 HG SER A 101 -1.771 -4.410 -5.583 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.397 -5.181 -8.685 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.614 -4.316 -9.550 1.00 0.00 C ATOM 1511 C GLU A 102 0.341 -3.457 -8.719 1.00 0.00 C ATOM 1512 O GLU A 102 -0.094 -2.708 -7.845 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.521 -3.443 -10.419 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.719 -4.064 -11.803 1.00 0.00 C ATOM 1515 CD GLU A 102 -1.419 -3.049 -12.908 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -0.236 -2.660 -13.016 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -2.380 -2.685 -13.620 1.00 0.00 O ATOM 0 H GLU A 102 -2.391 -4.954 -8.642 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.021 -4.943 -10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.488 -3.318 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.085 -2.449 -10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.067 -4.930 -11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.744 -4.422 -11.902 1.00 0.00 H new ATOM 1524 N GLN A 103 1.624 -3.593 -9.020 1.00 0.00 N ATOM 1525 CA GLN A 103 2.643 -2.839 -8.311 1.00 0.00 C ATOM 1526 C GLN A 103 2.262 -1.359 -8.250 1.00 0.00 C ATOM 1527 O GLN A 103 1.855 -0.777 -9.254 1.00 0.00 O ATOM 1528 CB GLN A 103 4.015 -3.026 -8.962 1.00 0.00 C ATOM 1529 CG GLN A 103 4.271 -1.950 -10.020 1.00 0.00 C ATOM 1530 CD GLN A 103 5.555 -2.242 -10.799 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.071 -3.348 -10.805 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.040 -1.192 -11.456 1.00 0.00 N ATOM 0 H GLN A 103 1.981 -4.215 -9.746 1.00 0.00 H new ATOM 0 HA GLN A 103 2.706 -3.220 -7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.792 -2.983 -8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.072 -4.013 -9.421 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.427 -1.903 -10.708 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.346 -0.974 -9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.559 -0.294 -11.409 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.893 -1.285 -12.007 1.00 0.00 H new ATOM 1541 N ILE A 104 2.408 -0.791 -7.062 1.00 0.00 N ATOM 1542 CA ILE A 104 2.084 0.610 -6.857 1.00 0.00 C ATOM 1543 C ILE A 104 3.314 1.465 -7.172 1.00 0.00 C ATOM 1544 O ILE A 104 4.439 0.968 -7.160 1.00 0.00 O ATOM 1545 CB ILE A 104 1.527 0.831 -5.449 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.722 -0.383 -4.982 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.709 2.122 -5.379 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.387 0.034 -4.013 1.00 0.00 C ATOM 0 H ILE A 104 2.747 -1.276 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 104 1.294 0.922 -7.540 1.00 0.00 H new ATOM 0 HB ILE A 104 2.367 0.945 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.286 -0.888 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.385 -1.098 -4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.325 2.255 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.343 2.969 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.125 2.063 -6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.944 -0.848 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.054 0.517 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.062 0.730 -4.511 1.00 0.00 H new ATOM 1560 N ARG A 105 3.057 2.735 -7.448 1.00 0.00 N ATOM 1561 CA ARG A 105 4.128 3.663 -7.767 1.00 0.00 C ATOM 1562 C ARG A 105 4.010 4.924 -6.909 1.00 0.00 C ATOM 1563 O ARG A 105 3.193 5.799 -7.193 1.00 0.00 O ATOM 1564 CB ARG A 105 4.096 4.056 -9.245 1.00 0.00 C ATOM 1565 CG ARG A 105 5.511 4.261 -9.789 1.00 0.00 C ATOM 1566 CD ARG A 105 5.561 4.006 -11.297 1.00 0.00 C ATOM 1567 NE ARG A 105 6.954 4.125 -11.784 1.00 0.00 N ATOM 1568 CZ ARG A 105 7.583 5.291 -11.981 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.949 6.445 -11.734 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.847 5.304 -12.426 1.00 0.00 N ATOM 0 H ARG A 105 2.122 3.143 -7.457 1.00 0.00 H new ATOM 0 HA ARG A 105 5.073 3.162 -7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.590 3.280 -9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.519 4.972 -9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.842 5.278 -9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.201 3.588 -9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.173 3.012 -11.519 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.923 4.721 -11.817 1.00 0.00 H new ATOM 0 HE ARG A 105 7.467 3.266 -11.982 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.987 6.436 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.429 7.333 -11.884 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.330 4.426 -12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.326 6.192 -12.576 1.00 0.00 H new ATOM 1584 N ILE A 106 4.839 4.978 -5.876 1.00 0.00 N ATOM 1585 CA ILE A 106 4.837 6.118 -4.974 1.00 0.00 C ATOM 1586 C ILE A 106 6.184 6.838 -5.068 1.00 0.00 C ATOM 1587 O ILE A 106 7.175 6.386 -4.496 1.00 0.00 O ATOM 1588 CB ILE A 106 4.473 5.678 -3.555 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.154 4.902 -3.544 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.442 6.874 -2.601 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.007 4.091 -2.255 1.00 0.00 C ATOM 0 H ILE A 106 5.516 4.251 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 106 4.070 6.835 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 106 5.249 5.001 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.319 5.596 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.113 4.235 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.181 6.534 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.424 7.347 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.700 7.594 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.062 3.549 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.831 3.382 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.024 4.764 -1.398 1.00 0.00 H new ATOM 1603 N PRO A 107 6.177 7.976 -5.813 1.00 0.00 N ATOM 1604 CA PRO A 107 7.386 8.763 -5.989 1.00 0.00 C ATOM 1605 C PRO A 107 7.714 9.554 -4.721 1.00 0.00 C ATOM 1606 O PRO A 107 6.866 9.707 -3.844 1.00 0.00 O ATOM 1607 CB PRO A 107 7.104 9.653 -7.188 1.00 0.00 C ATOM 1608 CG PRO A 107 5.593 9.667 -7.352 1.00 0.00 C ATOM 1609 CD PRO A 107 5.022 8.541 -6.505 1.00 0.00 C ATOM 0 HA PRO A 107 8.268 8.147 -6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.488 10.660 -7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.590 9.267 -8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.184 10.627 -7.037 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.321 9.533 -8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.280 8.914 -5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.526 7.793 -7.123 1.00 0.00 H new ATOM 1617 N ARG A 108 8.947 10.035 -4.666 1.00 0.00 N ATOM 1618 CA ARG A 108 9.399 10.807 -3.520 1.00 0.00 C ATOM 1619 C ARG A 108 8.377 11.893 -3.176 1.00 0.00 C ATOM 1620 O ARG A 108 7.375 12.050 -3.871 1.00 0.00 O ATOM 1621 CB ARG A 108 10.754 11.460 -3.795 1.00 0.00 C ATOM 1622 CG ARG A 108 10.862 11.907 -5.255 1.00 0.00 C ATOM 1623 CD ARG A 108 11.909 11.081 -6.005 1.00 0.00 C ATOM 1624 NE ARG A 108 12.613 11.932 -6.990 1.00 0.00 N ATOM 1625 CZ ARG A 108 13.445 11.463 -7.929 1.00 0.00 C ATOM 1626 NH1 ARG A 108 13.683 10.147 -8.017 1.00 0.00 N ATOM 1627 NH2 ARG A 108 14.040 12.309 -8.781 1.00 0.00 N ATOM 0 H ARG A 108 9.647 9.905 -5.396 1.00 0.00 H new ATOM 0 HA ARG A 108 9.504 10.122 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.888 12.319 -3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.554 10.756 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 108 9.893 11.803 -5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.128 12.963 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.625 10.658 -5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.429 10.244 -6.512 1.00 0.00 H new ATOM 0 HE ARG A 108 12.455 12.939 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.230 9.502 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.317 9.790 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.859 13.311 -8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.674 11.951 -9.496 1.00 0.00 H new