USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 765 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 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -7:sc= 1 USER MOD Single : A 31 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.422) USER MOD Single : A 34 SER OG : rot 170:sc= -1.22 USER MOD Single : A 36 MET CE :methyl -134:sc= -7.24! (180deg=-9.08!) USER MOD Single : A 38 HIS : no HE2:sc= -1.85! C(o=-1.9!,f=-3!) USER MOD Single : A 40 GLN : amide:sc= -0.649 K(o=-0.65,f=-2.2!) USER MOD Single : A 46 THR OG1 : rot -16:sc= 0.424 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 48 ASN : amide:sc= -2.13 K(o=-2.1,f=-4.2!) USER MOD Single : A 50 GLN : amide:sc=-0.00519 X(o=-0.0052,f=-0.15) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0154) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.389 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.15) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 150:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -20:sc= 0.267 USER MOD Single : A 76 GLN : amide:sc= 0.0835 K(o=0.084,f=-0.79) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -12.3! C(o=-12!,f=-25!) USER MOD Single : A 88 THR OG1 : rot 73:sc= 0.625 USER MOD Single : A 90 TYR OH : rot 0:sc= -0.961 USER MOD Single : A 91 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.9!) USER MOD Single : A 98 THR OG1 : rot -8:sc= -1.43 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 100:sc= 0.913 USER MOD Single : A 110 SER OG : rot 25:sc= 0.0784 USER MOD Single : A 113 THR OG1 : rot -119:sc= 0.0257 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -3.916 12.745 -3.872 1.00 0.00 N ATOM 201 CA VAL A 17 -3.608 11.321 -3.805 1.00 0.00 C ATOM 202 C VAL A 17 -2.889 10.855 -5.067 1.00 0.00 C ATOM 203 O VAL A 17 -3.039 11.430 -6.145 1.00 0.00 O ATOM 204 CB VAL A 17 -4.883 10.479 -3.614 1.00 0.00 C ATOM 205 CG1 VAL A 17 -5.445 10.671 -2.214 1.00 0.00 C ATOM 206 CG2 VAL A 17 -5.921 10.838 -4.667 1.00 0.00 C ATOM 0 HA VAL A 17 -2.955 11.178 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.624 9.427 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.346 10.068 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.703 10.360 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.690 11.722 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.816 10.233 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.178 11.894 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.514 10.644 -5.660 1.00 0.00 H new ATOM 216 N PRO A 18 -2.089 9.787 -4.931 1.00 0.00 N ATOM 217 CA PRO A 18 -1.331 9.219 -6.050 1.00 0.00 C ATOM 218 C PRO A 18 -2.232 8.537 -7.074 1.00 0.00 C ATOM 219 O PRO A 18 -3.285 8.000 -6.728 1.00 0.00 O ATOM 220 CB PRO A 18 -0.417 8.193 -5.375 1.00 0.00 C ATOM 221 CG PRO A 18 -1.131 7.817 -4.123 1.00 0.00 C ATOM 222 CD PRO A 18 -1.863 9.051 -3.676 1.00 0.00 C ATOM 0 HA PRO A 18 -0.795 9.986 -6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.255 7.325 -6.015 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.564 8.617 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.825 6.995 -4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.429 7.482 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.802 8.804 -3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.273 9.634 -2.969 1.00 0.00 H new ATOM 230 N SER A 19 -1.813 8.562 -8.335 1.00 0.00 N ATOM 231 CA SER A 19 -2.584 7.948 -9.409 1.00 0.00 C ATOM 232 C SER A 19 -1.741 6.929 -10.170 1.00 0.00 C ATOM 233 O SER A 19 -1.791 6.858 -11.397 1.00 0.00 O ATOM 234 CB SER A 19 -3.100 9.020 -10.371 1.00 0.00 C ATOM 235 OG SER A 19 -4.259 8.576 -11.055 1.00 0.00 O ATOM 0 H SER A 19 -0.944 9.001 -8.638 1.00 0.00 H new ATOM 0 HA SER A 19 -3.433 7.430 -8.963 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.327 9.931 -9.817 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.322 9.271 -11.092 1.00 0.00 H new ATOM 0 HG SER A 19 -4.570 9.279 -11.662 1.00 0.00 H new ATOM 241 N ALA A 20 -0.967 6.142 -9.431 1.00 0.00 N ATOM 242 CA ALA A 20 -0.114 5.125 -10.034 1.00 0.00 C ATOM 243 C ALA A 20 -0.275 3.783 -9.327 1.00 0.00 C ATOM 244 O ALA A 20 -0.103 3.687 -8.112 1.00 0.00 O ATOM 245 CB ALA A 20 1.341 5.569 -10.002 1.00 0.00 C ATOM 0 H ALA A 20 -0.913 6.189 -8.414 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.421 4.998 -11.072 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.966 4.800 -10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.450 6.500 -10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.651 5.726 -8.969 1.00 0.00 H new ATOM 251 N ALA A 21 -0.606 2.751 -10.095 1.00 0.00 N ATOM 252 CA ALA A 21 -0.789 1.415 -9.542 1.00 0.00 C ATOM 253 C ALA A 21 0.359 0.493 -9.942 1.00 0.00 C ATOM 254 O ALA A 21 1.056 0.724 -10.929 1.00 0.00 O ATOM 255 CB ALA A 21 -2.119 0.833 -9.996 1.00 0.00 C ATOM 0 H ALA A 21 -0.753 2.814 -11.102 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.793 1.496 -8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.242 -0.165 -9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.932 1.474 -9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.137 0.773 -11.084 1.00 0.00 H new ATOM 261 N PRO A 22 0.561 -0.576 -9.158 1.00 0.00 N ATOM 262 CA PRO A 22 1.623 -1.554 -9.411 1.00 0.00 C ATOM 263 C PRO A 22 1.354 -2.394 -10.654 1.00 0.00 C ATOM 264 O PRO A 22 0.216 -2.784 -10.915 1.00 0.00 O ATOM 265 CB PRO A 22 1.603 -2.432 -8.157 1.00 0.00 C ATOM 266 CG PRO A 22 0.215 -2.310 -7.631 1.00 0.00 C ATOM 267 CD PRO A 22 -0.233 -0.913 -7.964 1.00 0.00 C ATOM 0 HA PRO A 22 2.584 -1.073 -9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.847 -3.467 -8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.335 -2.093 -7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.442 -3.050 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.189 -2.482 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.303 -0.872 -8.168 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.038 -0.222 -7.144 1.00 0.00 H new ATOM 275 N GLN A 23 2.407 -2.669 -11.417 1.00 0.00 N ATOM 276 CA GLN A 23 2.282 -3.464 -12.633 1.00 0.00 C ATOM 277 C GLN A 23 2.896 -4.847 -12.445 1.00 0.00 C ATOM 278 O GLN A 23 3.339 -5.197 -11.352 1.00 0.00 O ATOM 279 CB GLN A 23 2.956 -2.749 -13.806 1.00 0.00 C ATOM 280 CG GLN A 23 4.219 -1.998 -13.416 1.00 0.00 C ATOM 281 CD GLN A 23 4.894 -1.337 -14.601 1.00 0.00 C ATOM 282 OE1 GLN A 23 5.264 -2.001 -15.569 1.00 0.00 O ATOM 283 NE2 GLN A 23 5.059 -0.021 -14.531 1.00 0.00 N ATOM 0 H GLN A 23 3.356 -2.353 -11.215 1.00 0.00 H new ATOM 0 HA GLN A 23 1.221 -3.584 -12.851 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.202 -3.482 -14.575 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.248 -2.048 -14.248 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.971 -1.239 -12.674 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.917 -2.689 -12.944 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.737 0.490 -13.709 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.508 0.478 -15.299 1.00 0.00 H new ATOM 292 N ASN A 24 2.917 -5.630 -13.519 1.00 0.00 N ATOM 293 CA ASN A 24 3.475 -6.977 -13.472 1.00 0.00 C ATOM 294 C ASN A 24 2.904 -7.762 -12.295 1.00 0.00 C ATOM 295 O ASN A 24 3.622 -8.501 -11.620 1.00 0.00 O ATOM 296 CB ASN A 24 5.000 -6.915 -13.366 1.00 0.00 C ATOM 297 CG ASN A 24 5.671 -6.813 -14.722 1.00 0.00 C ATOM 298 OD1 ASN A 24 6.158 -7.806 -15.263 1.00 0.00 O ATOM 299 ND2 ASN A 24 5.698 -5.608 -15.279 1.00 0.00 N ATOM 0 H ASN A 24 2.554 -5.355 -14.432 1.00 0.00 H new ATOM 0 HA ASN A 24 3.201 -7.490 -14.394 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.284 -6.056 -12.758 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.362 -7.805 -12.851 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.135 -5.478 -16.191 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.282 -4.813 -14.794 1.00 0.00 H new ATOM 306 N LEU A 25 1.608 -7.597 -12.055 1.00 0.00 N ATOM 307 CA LEU A 25 0.938 -8.291 -10.960 1.00 0.00 C ATOM 308 C LEU A 25 0.909 -9.796 -11.206 1.00 0.00 C ATOM 309 O LEU A 25 0.853 -10.247 -12.350 1.00 0.00 O ATOM 310 CB LEU A 25 -0.487 -7.762 -10.790 1.00 0.00 C ATOM 311 CG LEU A 25 -1.322 -8.422 -9.692 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.732 -8.125 -8.322 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.767 -7.952 -9.766 1.00 0.00 C ATOM 0 H LEU A 25 1.000 -6.989 -12.604 1.00 0.00 H new ATOM 0 HA LEU A 25 1.500 -8.102 -10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.434 -6.693 -10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.012 -7.879 -11.738 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.304 -9.501 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.339 -8.603 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.286 -8.512 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.719 -7.048 -8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.347 -8.432 -8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.805 -6.870 -9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.186 -8.217 -10.737 1.00 0.00 H new ATOM 325 N SER A 26 0.944 -10.568 -10.124 1.00 0.00 N ATOM 326 CA SER A 26 0.923 -12.022 -10.223 1.00 0.00 C ATOM 327 C SER A 26 0.535 -12.652 -8.888 1.00 0.00 C ATOM 328 O SER A 26 0.705 -12.045 -7.829 1.00 0.00 O ATOM 329 CB SER A 26 2.290 -12.545 -10.668 1.00 0.00 C ATOM 330 OG SER A 26 2.581 -12.146 -11.996 1.00 0.00 O ATOM 0 H SER A 26 0.987 -10.210 -9.170 1.00 0.00 H new ATOM 0 HA SER A 26 0.176 -12.299 -10.967 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.062 -12.172 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.306 -13.633 -10.600 1.00 0.00 H new ATOM 0 HG SER A 26 1.795 -11.708 -12.386 1.00 0.00 H new ATOM 336 N LEU A 27 0.013 -13.872 -8.946 1.00 0.00 N ATOM 337 CA LEU A 27 -0.399 -14.585 -7.742 1.00 0.00 C ATOM 338 C LEU A 27 0.205 -15.985 -7.705 1.00 0.00 C ATOM 339 O LEU A 27 -0.271 -16.895 -8.382 1.00 0.00 O ATOM 340 CB LEU A 27 -1.925 -14.674 -7.676 1.00 0.00 C ATOM 341 CG LEU A 27 -2.684 -13.366 -7.902 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.170 -13.636 -8.084 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.452 -12.408 -6.742 1.00 0.00 C ATOM 0 H LEU A 27 -0.135 -14.388 -9.813 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.035 -14.029 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.259 -15.398 -8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.204 -15.069 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.306 -12.901 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.694 -12.694 -8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.319 -14.285 -8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.563 -14.123 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.000 -11.482 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.803 -12.865 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.387 -12.189 -6.658 1.00 0.00 H new ATOM 355 N GLU A 28 1.256 -16.150 -6.907 1.00 0.00 N ATOM 356 CA GLU A 28 1.924 -17.440 -6.781 1.00 0.00 C ATOM 357 C GLU A 28 1.271 -18.286 -5.692 1.00 0.00 C ATOM 358 O GLU A 28 1.778 -18.378 -4.573 1.00 0.00 O ATOM 359 CB GLU A 28 3.408 -17.242 -6.467 1.00 0.00 C ATOM 360 CG GLU A 28 4.224 -18.520 -6.555 1.00 0.00 C ATOM 361 CD GLU A 28 5.716 -18.256 -6.631 1.00 0.00 C ATOM 362 OE1 GLU A 28 6.131 -17.440 -7.480 1.00 0.00 O ATOM 363 OE2 GLU A 28 6.467 -18.865 -5.841 1.00 0.00 O ATOM 0 H GLU A 28 1.663 -15.407 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 28 1.828 -17.965 -7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.822 -16.508 -7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.506 -16.826 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.013 -19.142 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.914 -19.085 -7.434 1.00 0.00 H new ATOM 370 N VAL A 29 0.142 -18.903 -6.027 1.00 0.00 N ATOM 371 CA VAL A 29 -0.581 -19.743 -5.079 1.00 0.00 C ATOM 372 C VAL A 29 0.346 -20.766 -4.433 1.00 0.00 C ATOM 373 O VAL A 29 0.688 -21.780 -5.042 1.00 0.00 O ATOM 374 CB VAL A 29 -1.748 -20.481 -5.760 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.462 -21.384 -4.765 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.718 -19.487 -6.381 1.00 0.00 C ATOM 0 H VAL A 29 -0.292 -18.837 -6.948 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.979 -19.082 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.344 -21.105 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.284 -21.897 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.760 -22.119 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.855 -20.783 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.536 -20.027 -6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.117 -18.835 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.196 -18.887 -7.126 1.00 0.00 H new ATOM 386 N ARG A 30 0.750 -20.494 -3.197 1.00 0.00 N ATOM 387 CA ARG A 30 1.638 -21.391 -2.468 1.00 0.00 C ATOM 388 C ARG A 30 0.916 -22.681 -2.087 1.00 0.00 C ATOM 389 O ARG A 30 1.407 -23.778 -2.346 1.00 0.00 O ATOM 390 CB ARG A 30 2.173 -20.704 -1.211 1.00 0.00 C ATOM 391 CG ARG A 30 2.790 -19.340 -1.478 1.00 0.00 C ATOM 392 CD ARG A 30 4.262 -19.456 -1.841 1.00 0.00 C ATOM 393 NE ARG A 30 5.038 -20.097 -0.782 1.00 0.00 N ATOM 394 CZ ARG A 30 6.187 -20.730 -0.994 1.00 0.00 C ATOM 395 NH1 ARG A 30 6.690 -20.806 -2.218 1.00 0.00 N ATOM 396 NH2 ARG A 30 6.834 -21.288 0.021 1.00 0.00 N ATOM 0 H ARG A 30 0.476 -19.659 -2.679 1.00 0.00 H new ATOM 0 HA ARG A 30 2.474 -21.642 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.359 -20.591 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.920 -21.347 -0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.252 -18.848 -2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.680 -18.711 -0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.364 -20.029 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.667 -18.463 -2.037 1.00 0.00 H new ATOM 0 HE ARG A 30 4.678 -20.056 0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.195 -20.378 -3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.572 -21.293 -2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.449 -21.231 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.716 -21.774 -0.142 1.00 0.00 H new ATOM 410 N ASN A 31 -0.252 -22.538 -1.469 1.00 0.00 N ATOM 411 CA ASN A 31 -1.042 -23.691 -1.051 1.00 0.00 C ATOM 412 C ASN A 31 -2.514 -23.499 -1.403 1.00 0.00 C ATOM 413 O ASN A 31 -2.886 -22.516 -2.043 1.00 0.00 O ATOM 414 CB ASN A 31 -0.891 -23.920 0.454 1.00 0.00 C ATOM 415 CG ASN A 31 0.540 -23.745 0.925 1.00 0.00 C ATOM 416 OD1 ASN A 31 1.484 -24.135 0.236 1.00 0.00 O ATOM 417 ND2 ASN A 31 0.708 -23.158 2.104 1.00 0.00 N ATOM 0 H ASN A 31 -0.672 -21.636 -1.247 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.671 -24.567 -1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.535 -23.224 0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.232 -24.925 0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.648 -23.014 2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.103 -22.851 2.641 1.00 0.00 H new ATOM 424 N SER A 32 -3.346 -24.444 -0.978 1.00 0.00 N ATOM 425 CA SER A 32 -4.777 -24.380 -1.250 1.00 0.00 C ATOM 426 C SER A 32 -5.471 -23.418 -0.291 1.00 0.00 C ATOM 427 O SER A 32 -6.501 -22.829 -0.620 1.00 0.00 O ATOM 428 CB SER A 32 -5.402 -25.772 -1.135 1.00 0.00 C ATOM 429 OG SER A 32 -5.111 -26.359 0.122 1.00 0.00 O ATOM 0 H SER A 32 -3.054 -25.263 -0.444 1.00 0.00 H new ATOM 0 HA SER A 32 -4.912 -24.011 -2.267 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.482 -25.701 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.025 -26.410 -1.934 1.00 0.00 H new ATOM 0 HG SER A 32 -5.523 -27.247 0.172 1.00 0.00 H new ATOM 435 N LYS A 33 -4.898 -23.263 0.898 1.00 0.00 N ATOM 436 CA LYS A 33 -5.458 -22.372 1.907 1.00 0.00 C ATOM 437 C LYS A 33 -4.662 -21.073 1.988 1.00 0.00 C ATOM 438 O LYS A 33 -4.984 -20.185 2.777 1.00 0.00 O ATOM 439 CB LYS A 33 -5.473 -23.060 3.274 1.00 0.00 C ATOM 440 CG LYS A 33 -4.096 -23.486 3.755 1.00 0.00 C ATOM 441 CD LYS A 33 -3.437 -22.400 4.589 1.00 0.00 C ATOM 442 CE LYS A 33 -3.769 -22.552 6.065 1.00 0.00 C ATOM 443 NZ LYS A 33 -3.102 -21.511 6.894 1.00 0.00 N ATOM 0 H LYS A 33 -4.046 -23.743 1.186 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.481 -22.133 1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.912 -22.383 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.118 -23.937 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.182 -24.398 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.466 -23.720 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.356 -22.440 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.766 -21.421 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.848 -22.489 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.461 -23.540 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.987 -21.862 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.168 -21.293 6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.684 -20.649 6.904 1.00 0.00 H new ATOM 457 N SER A 34 -3.622 -20.970 1.167 1.00 0.00 N ATOM 458 CA SER A 34 -2.778 -19.781 1.148 1.00 0.00 C ATOM 459 C SER A 34 -2.481 -19.348 -0.285 1.00 0.00 C ATOM 460 O SER A 34 -2.499 -20.164 -1.207 1.00 0.00 O ATOM 461 CB SER A 34 -1.469 -20.046 1.894 1.00 0.00 C ATOM 462 OG SER A 34 -1.717 -20.480 3.220 1.00 0.00 O ATOM 0 H SER A 34 -3.344 -21.695 0.506 1.00 0.00 H new ATOM 0 HA SER A 34 -3.316 -18.976 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.891 -20.802 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.867 -19.138 1.912 1.00 0.00 H new ATOM 0 HG SER A 34 -0.881 -20.795 3.623 1.00 0.00 H new ATOM 468 N ILE A 35 -2.209 -18.060 -0.463 1.00 0.00 N ATOM 469 CA ILE A 35 -1.907 -17.518 -1.782 1.00 0.00 C ATOM 470 C ILE A 35 -0.899 -16.378 -1.690 1.00 0.00 C ATOM 471 O ILE A 35 -1.102 -15.415 -0.951 1.00 0.00 O ATOM 472 CB ILE A 35 -3.179 -17.010 -2.486 1.00 0.00 C ATOM 473 CG1 ILE A 35 -4.129 -18.174 -2.775 1.00 0.00 C ATOM 474 CG2 ILE A 35 -2.817 -16.282 -3.772 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.493 -17.735 -3.258 1.00 0.00 C ATOM 0 H ILE A 35 -2.192 -17.372 0.290 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.478 -18.331 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.687 -16.308 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.678 -18.823 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.247 -18.769 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.726 -15.929 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.175 -15.432 -3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.290 -16.963 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.113 -18.612 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.964 -17.111 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.386 -17.165 -4.181 1.00 0.00 H new ATOM 487 N MET A 36 0.186 -16.492 -2.449 1.00 0.00 N ATOM 488 CA MET A 36 1.224 -15.468 -2.456 1.00 0.00 C ATOM 489 C MET A 36 0.937 -14.410 -3.516 1.00 0.00 C ATOM 490 O MET A 36 0.517 -14.730 -4.628 1.00 0.00 O ATOM 491 CB MET A 36 2.594 -16.102 -2.709 1.00 0.00 C ATOM 492 CG MET A 36 3.749 -15.123 -2.582 1.00 0.00 C ATOM 493 SD MET A 36 4.419 -15.052 -0.910 1.00 0.00 S ATOM 494 CE MET A 36 3.762 -13.483 -0.348 1.00 0.00 C ATOM 0 H MET A 36 0.369 -17.283 -3.067 1.00 0.00 H new ATOM 0 HA MET A 36 1.230 -14.985 -1.479 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.743 -16.920 -2.004 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.605 -16.537 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.541 -15.409 -3.274 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.412 -14.129 -2.877 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.551 -12.912 0.141 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.383 -12.921 -1.201 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.951 -13.660 0.359 1.00 0.00 H new ATOM 504 N ILE A 37 1.166 -13.149 -3.164 1.00 0.00 N ATOM 505 CA ILE A 37 0.932 -12.045 -4.086 1.00 0.00 C ATOM 506 C ILE A 37 2.234 -11.327 -4.425 1.00 0.00 C ATOM 507 O ILE A 37 2.890 -10.762 -3.549 1.00 0.00 O ATOM 508 CB ILE A 37 -0.066 -11.027 -3.503 1.00 0.00 C ATOM 509 CG1 ILE A 37 -1.216 -11.752 -2.801 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.597 -10.118 -4.602 1.00 0.00 C ATOM 511 CD1 ILE A 37 -2.134 -10.827 -2.033 1.00 0.00 C ATOM 0 H ILE A 37 1.513 -12.867 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 37 0.510 -12.476 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 37 0.452 -10.411 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.800 -12.295 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.804 -12.493 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.301 -9.404 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.232 -9.580 -5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.103 -10.718 -5.358 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.926 -11.409 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.564 -10.302 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.575 -10.102 -2.717 1.00 0.00 H new ATOM 523 N HIS A 38 2.602 -11.351 -5.702 1.00 0.00 N ATOM 524 CA HIS A 38 3.825 -10.700 -6.158 1.00 0.00 C ATOM 525 C HIS A 38 3.505 -9.532 -7.086 1.00 0.00 C ATOM 526 O HIS A 38 2.856 -9.706 -8.117 1.00 0.00 O ATOM 527 CB HIS A 38 4.726 -11.705 -6.876 1.00 0.00 C ATOM 528 CG HIS A 38 5.303 -12.747 -5.968 1.00 0.00 C ATOM 529 ND1 HIS A 38 6.168 -12.449 -4.936 1.00 0.00 N ATOM 530 CD2 HIS A 38 5.135 -14.089 -5.941 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.507 -13.564 -4.314 1.00 0.00 C ATOM 532 NE2 HIS A 38 5.894 -14.574 -4.904 1.00 0.00 N ATOM 0 H HIS A 38 2.071 -11.814 -6.439 1.00 0.00 H new ATOM 0 HA HIS A 38 4.349 -10.314 -5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.153 -12.197 -7.662 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.540 -11.168 -7.363 1.00 0.00 H new ATOM 0 HD1 HIS A 38 6.495 -11.514 -4.691 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.519 -14.671 -6.610 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.173 -13.637 -3.467 1.00 0.00 H new ATOM 541 N TRP A 39 3.964 -8.343 -6.712 1.00 0.00 N ATOM 542 CA TRP A 39 3.725 -7.146 -7.511 1.00 0.00 C ATOM 543 C TRP A 39 4.963 -6.256 -7.541 1.00 0.00 C ATOM 544 O TRP A 39 5.898 -6.454 -6.766 1.00 0.00 O ATOM 545 CB TRP A 39 2.534 -6.365 -6.954 1.00 0.00 C ATOM 546 CG TRP A 39 2.792 -5.771 -5.603 1.00 0.00 C ATOM 547 CD1 TRP A 39 3.249 -4.512 -5.335 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.611 -6.412 -4.336 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.362 -4.332 -3.978 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.976 -5.482 -3.342 1.00 0.00 C ATOM 551 CE3 TRP A 39 2.174 -7.680 -3.943 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.918 -5.783 -1.984 1.00 0.00 C ATOM 553 CZ3 TRP A 39 2.117 -7.977 -2.595 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.486 -7.032 -1.628 1.00 0.00 C ATOM 0 H TRP A 39 4.503 -8.182 -5.861 1.00 0.00 H new ATOM 0 HA TRP A 39 3.500 -7.459 -8.531 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.274 -5.567 -7.650 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.671 -7.028 -6.893 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.487 -3.768 -6.080 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.682 -3.480 -3.518 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.886 -8.415 -4.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.204 -5.057 -1.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.782 -8.955 -2.281 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.428 -7.294 -0.582 1.00 0.00 H new ATOM 565 N GLN A 40 4.961 -5.277 -8.439 1.00 0.00 N ATOM 566 CA GLN A 40 6.085 -4.357 -8.569 1.00 0.00 C ATOM 567 C GLN A 40 5.618 -2.909 -8.465 1.00 0.00 C ATOM 568 O GLN A 40 4.466 -2.580 -8.749 1.00 0.00 O ATOM 569 CB GLN A 40 6.802 -4.580 -9.901 1.00 0.00 C ATOM 570 CG GLN A 40 7.590 -5.879 -9.959 1.00 0.00 C ATOM 571 CD GLN A 40 8.428 -6.109 -8.717 1.00 0.00 C ATOM 572 OE1 GLN A 40 9.225 -5.255 -8.325 1.00 0.00 O ATOM 573 NE2 GLN A 40 8.252 -7.266 -8.089 1.00 0.00 N ATOM 0 H GLN A 40 4.194 -5.100 -9.088 1.00 0.00 H new ATOM 0 HA GLN A 40 6.780 -4.555 -7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.066 -4.575 -10.705 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.479 -3.746 -10.083 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.900 -6.713 -10.086 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.240 -5.867 -10.834 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.581 -7.945 -8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.788 -7.476 -7.247 1.00 0.00 H new ATOM 582 N PRO A 41 6.533 -2.020 -8.048 1.00 0.00 N ATOM 583 CA PRO A 41 6.238 -0.592 -7.897 1.00 0.00 C ATOM 584 C PRO A 41 6.032 0.102 -9.239 1.00 0.00 C ATOM 585 O PRO A 41 6.679 -0.218 -10.236 1.00 0.00 O ATOM 586 CB PRO A 41 7.484 -0.045 -7.197 1.00 0.00 C ATOM 587 CG PRO A 41 8.573 -0.990 -7.569 1.00 0.00 C ATOM 588 CD PRO A 41 7.925 -2.341 -7.692 1.00 0.00 C ATOM 0 HA PRO A 41 5.314 -0.422 -7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.710 0.969 -7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.346 -0.006 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.042 -0.695 -8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.356 -1.000 -6.811 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.406 -2.949 -8.458 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.982 -2.901 -6.758 1.00 0.00 H new ATOM 596 N PRO A 42 5.110 1.076 -9.267 1.00 0.00 N ATOM 597 CA PRO A 42 4.799 1.836 -10.481 1.00 0.00 C ATOM 598 C PRO A 42 5.936 2.767 -10.890 1.00 0.00 C ATOM 599 O PRO A 42 6.889 2.965 -10.137 1.00 0.00 O ATOM 600 CB PRO A 42 3.562 2.646 -10.085 1.00 0.00 C ATOM 601 CG PRO A 42 3.652 2.776 -8.604 1.00 0.00 C ATOM 602 CD PRO A 42 4.301 1.510 -8.116 1.00 0.00 C ATOM 0 HA PRO A 42 4.642 1.184 -11.340 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.557 3.623 -10.568 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.645 2.138 -10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.241 3.649 -8.324 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.664 2.903 -8.163 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.918 1.688 -7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.560 0.760 -7.839 1.00 0.00 H new ATOM 610 N ALA A 43 5.828 3.334 -12.087 1.00 0.00 N ATOM 611 CA ALA A 43 6.846 4.246 -12.594 1.00 0.00 C ATOM 612 C ALA A 43 7.079 5.402 -11.627 1.00 0.00 C ATOM 613 O ALA A 43 6.177 5.834 -10.910 1.00 0.00 O ATOM 614 CB ALA A 43 6.447 4.773 -13.964 1.00 0.00 C ATOM 0 H ALA A 43 5.046 3.178 -12.723 1.00 0.00 H new ATOM 0 HA ALA A 43 7.780 3.692 -12.688 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.216 5.453 -14.331 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.339 3.939 -14.657 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.499 5.305 -13.887 1.00 0.00 H new ATOM 620 N PRO A 44 8.318 5.915 -11.605 1.00 0.00 N ATOM 621 CA PRO A 44 8.698 7.028 -10.729 1.00 0.00 C ATOM 622 C PRO A 44 8.054 8.344 -11.153 1.00 0.00 C ATOM 623 O PRO A 44 7.512 9.076 -10.325 1.00 0.00 O ATOM 624 CB PRO A 44 10.219 7.101 -10.888 1.00 0.00 C ATOM 625 CG PRO A 44 10.488 6.511 -12.229 1.00 0.00 C ATOM 626 CD PRO A 44 9.443 5.449 -12.432 1.00 0.00 C ATOM 0 HA PRO A 44 8.371 6.869 -9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.574 8.130 -10.830 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.727 6.543 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.429 7.271 -13.008 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.491 6.086 -12.274 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.160 5.359 -13.481 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.798 4.469 -12.112 1.00 0.00 H new ATOM 634 N ALA A 45 8.119 8.640 -12.447 1.00 0.00 N ATOM 635 CA ALA A 45 7.540 9.867 -12.980 1.00 0.00 C ATOM 636 C ALA A 45 6.099 10.043 -12.512 1.00 0.00 C ATOM 637 O ALA A 45 5.633 11.165 -12.311 1.00 0.00 O ATOM 638 CB ALA A 45 7.607 9.865 -14.500 1.00 0.00 C ATOM 0 H ALA A 45 8.567 8.047 -13.146 1.00 0.00 H new ATOM 0 HA ALA A 45 8.122 10.708 -12.603 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.171 10.787 -14.885 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.647 9.795 -14.818 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.051 9.012 -14.888 1.00 0.00 H new ATOM 644 N THR A 46 5.397 8.927 -12.341 1.00 0.00 N ATOM 645 CA THR A 46 4.009 8.958 -11.899 1.00 0.00 C ATOM 646 C THR A 46 3.917 9.126 -10.387 1.00 0.00 C ATOM 647 O THR A 46 3.134 9.935 -9.890 1.00 0.00 O ATOM 648 CB THR A 46 3.260 7.676 -12.308 1.00 0.00 C ATOM 649 OG1 THR A 46 3.986 6.523 -11.867 1.00 0.00 O ATOM 650 CG2 THR A 46 3.072 7.616 -13.816 1.00 0.00 C ATOM 0 H THR A 46 5.768 7.990 -12.502 1.00 0.00 H new ATOM 0 HA THR A 46 3.542 9.814 -12.386 1.00 0.00 H new ATOM 0 HB THR A 46 2.278 7.690 -11.836 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.905 6.780 -11.645 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.541 6.702 -14.080 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.494 8.480 -14.145 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.046 7.624 -14.305 1.00 0.00 H new ATOM 658 N GLN A 47 4.722 8.357 -9.661 1.00 0.00 N ATOM 659 CA GLN A 47 4.730 8.422 -8.204 1.00 0.00 C ATOM 660 C GLN A 47 4.470 9.845 -7.721 1.00 0.00 C ATOM 661 O GLN A 47 5.065 10.799 -8.220 1.00 0.00 O ATOM 662 CB GLN A 47 6.069 7.922 -7.658 1.00 0.00 C ATOM 663 CG GLN A 47 6.162 6.408 -7.567 1.00 0.00 C ATOM 664 CD GLN A 47 7.377 5.943 -6.789 1.00 0.00 C ATOM 665 OE1 GLN A 47 8.230 6.746 -6.409 1.00 0.00 O ATOM 666 NE2 GLN A 47 7.463 4.640 -6.547 1.00 0.00 N ATOM 0 H GLN A 47 5.376 7.682 -10.057 1.00 0.00 H new ATOM 0 HA GLN A 47 3.931 7.780 -7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.872 8.289 -8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.230 8.348 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.261 6.021 -7.092 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.197 5.989 -8.573 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.733 4.010 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.259 4.269 -6.028 1.00 0.00 H new ATOM 675 N ASN A 48 3.576 9.979 -6.747 1.00 0.00 N ATOM 676 CA ASN A 48 3.236 11.287 -6.197 1.00 0.00 C ATOM 677 C ASN A 48 3.715 11.411 -4.753 1.00 0.00 C ATOM 678 O ASN A 48 3.049 12.020 -3.917 1.00 0.00 O ATOM 679 CB ASN A 48 1.725 11.515 -6.266 1.00 0.00 C ATOM 680 CG ASN A 48 1.239 11.739 -7.685 1.00 0.00 C ATOM 681 OD1 ASN A 48 2.029 11.757 -8.628 1.00 0.00 O ATOM 682 ND2 ASN A 48 -0.069 11.912 -7.842 1.00 0.00 N ATOM 0 H ASN A 48 3.074 9.199 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 48 3.739 12.047 -6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.210 10.654 -5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.462 12.378 -5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.455 12.067 -8.773 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.687 11.889 -7.031 1.00 0.00 H new ATOM 689 N GLY A 49 4.876 10.829 -4.468 1.00 0.00 N ATOM 690 CA GLY A 49 5.424 10.886 -3.126 1.00 0.00 C ATOM 691 C GLY A 49 6.067 9.579 -2.706 1.00 0.00 C ATOM 692 O GLY A 49 6.354 8.724 -3.544 1.00 0.00 O ATOM 0 H GLY A 49 5.446 10.319 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.164 11.685 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.630 11.139 -2.423 1.00 0.00 H new ATOM 696 N GLN A 50 6.294 9.424 -1.406 1.00 0.00 N ATOM 697 CA GLN A 50 6.909 8.212 -0.877 1.00 0.00 C ATOM 698 C GLN A 50 5.848 7.199 -0.461 1.00 0.00 C ATOM 699 O GLN A 50 4.907 7.533 0.260 1.00 0.00 O ATOM 700 CB GLN A 50 7.806 8.548 0.316 1.00 0.00 C ATOM 701 CG GLN A 50 8.306 7.324 1.065 1.00 0.00 C ATOM 702 CD GLN A 50 9.656 7.550 1.718 1.00 0.00 C ATOM 703 OE1 GLN A 50 10.609 7.977 1.066 1.00 0.00 O ATOM 704 NE2 GLN A 50 9.743 7.263 3.011 1.00 0.00 N ATOM 0 H GLN A 50 6.061 10.122 -0.700 1.00 0.00 H new ATOM 0 HA GLN A 50 7.517 7.770 -1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.662 9.124 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.254 9.186 1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.579 7.048 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.377 6.484 0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.927 6.911 3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.626 7.394 3.504 1.00 0.00 H new ATOM 713 N ILE A 51 6.004 5.962 -0.920 1.00 0.00 N ATOM 714 CA ILE A 51 5.059 4.901 -0.595 1.00 0.00 C ATOM 715 C ILE A 51 5.282 4.383 0.822 1.00 0.00 C ATOM 716 O ILE A 51 6.399 4.025 1.197 1.00 0.00 O ATOM 717 CB ILE A 51 5.171 3.725 -1.583 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.808 4.183 -2.997 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.273 2.578 -1.144 1.00 0.00 C ATOM 720 CD1 ILE A 51 5.168 3.178 -4.068 1.00 0.00 C ATOM 0 H ILE A 51 6.776 5.670 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 51 4.061 5.333 -0.669 1.00 0.00 H new ATOM 0 HB ILE A 51 6.202 3.371 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.737 4.382 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.316 5.124 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.363 1.754 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.574 2.239 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.238 2.918 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.882 3.569 -5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.243 2.996 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.639 2.243 -3.882 1.00 0.00 H new ATOM 732 N THR A 52 4.209 4.344 1.607 1.00 0.00 N ATOM 733 CA THR A 52 4.286 3.869 2.983 1.00 0.00 C ATOM 734 C THR A 52 3.944 2.386 3.072 1.00 0.00 C ATOM 735 O THR A 52 4.604 1.628 3.782 1.00 0.00 O ATOM 736 CB THR A 52 3.338 4.659 3.904 1.00 0.00 C ATOM 737 OG1 THR A 52 1.983 4.496 3.469 1.00 0.00 O ATOM 738 CG2 THR A 52 3.698 6.137 3.912 1.00 0.00 C ATOM 0 H THR A 52 3.277 4.636 1.313 1.00 0.00 H new ATOM 0 HA THR A 52 5.313 4.023 3.314 1.00 0.00 H new ATOM 0 HB THR A 52 3.444 4.270 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.387 5.000 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.015 6.674 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.720 6.261 4.271 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.618 6.536 2.901 1.00 0.00 H new ATOM 746 N GLY A 53 2.907 1.977 2.347 1.00 0.00 N ATOM 747 CA GLY A 53 2.496 0.586 2.358 1.00 0.00 C ATOM 748 C GLY A 53 1.511 0.263 1.252 1.00 0.00 C ATOM 749 O GLY A 53 1.083 1.151 0.514 1.00 0.00 O ATOM 0 H GLY A 53 2.344 2.585 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.375 -0.050 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.045 0.351 3.322 1.00 0.00 H new ATOM 753 N TYR A 54 1.152 -1.010 1.135 1.00 0.00 N ATOM 754 CA TYR A 54 0.214 -1.449 0.108 1.00 0.00 C ATOM 755 C TYR A 54 -1.057 -2.013 0.736 1.00 0.00 C ATOM 756 O TYR A 54 -1.004 -2.741 1.727 1.00 0.00 O ATOM 757 CB TYR A 54 0.864 -2.503 -0.789 1.00 0.00 C ATOM 758 CG TYR A 54 1.853 -1.929 -1.779 1.00 0.00 C ATOM 759 CD1 TYR A 54 3.092 -1.461 -1.360 1.00 0.00 C ATOM 760 CD2 TYR A 54 1.547 -1.855 -3.132 1.00 0.00 C ATOM 761 CE1 TYR A 54 3.998 -0.935 -2.261 1.00 0.00 C ATOM 762 CE2 TYR A 54 2.448 -1.332 -4.040 1.00 0.00 C ATOM 763 CZ TYR A 54 3.672 -0.874 -3.599 1.00 0.00 C ATOM 764 OH TYR A 54 4.571 -0.351 -4.500 1.00 0.00 O ATOM 0 H TYR A 54 1.496 -1.757 1.739 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.055 -0.583 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.373 -3.236 -0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.084 -3.035 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.351 -1.509 -0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.589 -2.212 -3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.956 -0.574 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.195 -1.282 -5.089 1.00 0.00 H new ATOM 0 HH TYR A 54 4.187 -0.382 -5.401 1.00 0.00 H new ATOM 774 N LYS A 55 -2.200 -1.671 0.151 1.00 0.00 N ATOM 775 CA LYS A 55 -3.486 -2.144 0.649 1.00 0.00 C ATOM 776 C LYS A 55 -4.029 -3.268 -0.227 1.00 0.00 C ATOM 777 O LYS A 55 -4.715 -3.019 -1.219 1.00 0.00 O ATOM 778 CB LYS A 55 -4.491 -0.991 0.699 1.00 0.00 C ATOM 779 CG LYS A 55 -5.636 -1.223 1.670 1.00 0.00 C ATOM 780 CD LYS A 55 -6.598 -0.047 1.690 1.00 0.00 C ATOM 781 CE LYS A 55 -6.014 1.138 2.443 1.00 0.00 C ATOM 782 NZ LYS A 55 -6.063 0.938 3.918 1.00 0.00 N ATOM 0 H LYS A 55 -2.262 -1.068 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.337 -2.533 1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.968 -0.076 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.899 -0.832 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.173 -2.129 1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.238 -1.385 2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.833 0.250 0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.535 -0.350 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.981 1.292 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.564 2.042 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.767 1.812 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.034 0.699 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.423 0.163 4.185 1.00 0.00 H new ATOM 796 N ILE A 56 -3.720 -4.505 0.148 1.00 0.00 N ATOM 797 CA ILE A 56 -4.180 -5.667 -0.603 1.00 0.00 C ATOM 798 C ILE A 56 -5.532 -6.152 -0.091 1.00 0.00 C ATOM 799 O ILE A 56 -5.691 -6.440 1.095 1.00 0.00 O ATOM 800 CB ILE A 56 -3.168 -6.825 -0.523 1.00 0.00 C ATOM 801 CG1 ILE A 56 -1.891 -6.468 -1.287 1.00 0.00 C ATOM 802 CG2 ILE A 56 -3.781 -8.103 -1.075 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.683 -7.268 -0.851 1.00 0.00 C ATOM 0 H ILE A 56 -3.154 -4.728 0.966 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.279 -5.353 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.910 -6.991 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.058 -6.628 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.682 -5.407 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.054 -8.912 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.665 -8.363 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.064 -7.950 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.186 -6.963 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.491 -7.089 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.872 -8.329 -1.011 1.00 0.00 H new ATOM 815 N ARG A 57 -6.503 -6.241 -0.994 1.00 0.00 N ATOM 816 CA ARG A 57 -7.842 -6.693 -0.634 1.00 0.00 C ATOM 817 C ARG A 57 -8.279 -7.857 -1.518 1.00 0.00 C ATOM 818 O ARG A 57 -7.962 -7.900 -2.707 1.00 0.00 O ATOM 819 CB ARG A 57 -8.842 -5.541 -0.758 1.00 0.00 C ATOM 820 CG ARG A 57 -8.859 -4.617 0.449 1.00 0.00 C ATOM 821 CD ARG A 57 -9.944 -3.560 0.325 1.00 0.00 C ATOM 822 NE ARG A 57 -10.168 -2.855 1.584 1.00 0.00 N ATOM 823 CZ ARG A 57 -11.195 -2.039 1.798 1.00 0.00 C ATOM 824 NH1 ARG A 57 -12.087 -1.827 0.840 1.00 0.00 N ATOM 825 NH2 ARG A 57 -11.330 -1.435 2.971 1.00 0.00 N ATOM 0 H ARG A 57 -6.388 -6.006 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.817 -7.035 0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.604 -4.958 -1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.841 -5.952 -0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.021 -5.202 1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.888 -4.133 0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.665 -2.843 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.873 -4.030 0.003 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.499 -2.997 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.986 -2.291 -0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.875 -1.200 1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.645 -1.597 3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.118 -0.809 3.134 1.00 0.00 H new ATOM 839 N TYR A 58 -9.008 -8.799 -0.929 1.00 0.00 N ATOM 840 CA TYR A 58 -9.486 -9.965 -1.662 1.00 0.00 C ATOM 841 C TYR A 58 -10.906 -10.329 -1.240 1.00 0.00 C ATOM 842 O TYR A 58 -11.346 -9.989 -0.142 1.00 0.00 O ATOM 843 CB TYR A 58 -8.553 -11.155 -1.432 1.00 0.00 C ATOM 844 CG TYR A 58 -8.385 -11.520 0.025 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.628 -10.725 0.878 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.981 -12.660 0.550 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.471 -11.055 2.210 1.00 0.00 C ATOM 848 CE2 TYR A 58 -8.831 -12.996 1.881 1.00 0.00 C ATOM 849 CZ TYR A 58 -8.074 -12.191 2.707 1.00 0.00 C ATOM 850 OH TYR A 58 -7.921 -12.524 4.034 1.00 0.00 O ATOM 0 H TYR A 58 -9.281 -8.778 0.054 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.494 -9.717 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.940 -12.019 -1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.575 -10.926 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.155 -9.834 0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.572 -13.294 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.879 -10.427 2.859 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.304 -13.884 2.273 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.411 -13.352 4.222 1.00 0.00 H new ATOM 860 N ARG A 59 -11.619 -11.023 -2.122 1.00 0.00 N ATOM 861 CA ARG A 59 -12.990 -11.433 -1.843 1.00 0.00 C ATOM 862 C ARG A 59 -13.314 -12.753 -2.536 1.00 0.00 C ATOM 863 O ARG A 59 -12.501 -13.286 -3.292 1.00 0.00 O ATOM 864 CB ARG A 59 -13.971 -10.351 -2.298 1.00 0.00 C ATOM 865 CG ARG A 59 -13.876 -10.027 -3.780 1.00 0.00 C ATOM 866 CD ARG A 59 -14.740 -8.830 -4.145 1.00 0.00 C ATOM 867 NE ARG A 59 -15.043 -8.789 -5.573 1.00 0.00 N ATOM 868 CZ ARG A 59 -15.412 -7.686 -6.215 1.00 0.00 C ATOM 869 NH1 ARG A 59 -15.523 -6.539 -5.559 1.00 0.00 N ATOM 870 NH2 ARG A 59 -15.671 -7.729 -7.515 1.00 0.00 N ATOM 0 H ARG A 59 -11.270 -11.313 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.089 -11.574 -0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.987 -10.674 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.789 -9.443 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.838 -9.822 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.187 -10.893 -4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.670 -8.868 -3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.228 -7.912 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.967 -9.655 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.325 -6.502 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.806 -5.694 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.587 -8.610 -8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.954 -6.882 -8.007 1.00 0.00 H new ATOM 884 N LYS A 60 -14.506 -13.276 -2.272 1.00 0.00 N ATOM 885 CA LYS A 60 -14.940 -14.533 -2.870 1.00 0.00 C ATOM 886 C LYS A 60 -15.803 -14.281 -4.102 1.00 0.00 C ATOM 887 O LYS A 60 -16.713 -13.452 -4.075 1.00 0.00 O ATOM 888 CB LYS A 60 -15.720 -15.365 -1.850 1.00 0.00 C ATOM 889 CG LYS A 60 -14.840 -16.263 -0.997 1.00 0.00 C ATOM 890 CD LYS A 60 -15.543 -16.680 0.284 1.00 0.00 C ATOM 891 CE LYS A 60 -14.959 -17.966 0.847 1.00 0.00 C ATOM 892 NZ LYS A 60 -15.818 -18.543 1.918 1.00 0.00 N ATOM 0 H LYS A 60 -15.190 -12.849 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.052 -15.085 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.280 -14.694 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.450 -15.980 -2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.564 -17.150 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.915 -15.741 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.455 -15.885 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.607 -16.817 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.842 -18.694 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.964 -17.769 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.386 -19.419 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.909 -17.859 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.760 -18.755 1.531 1.00 0.00 H new ATOM 906 N ALA A 61 -15.514 -15.002 -5.180 1.00 0.00 N ATOM 907 CA ALA A 61 -16.266 -14.858 -6.420 1.00 0.00 C ATOM 908 C ALA A 61 -17.765 -14.799 -6.149 1.00 0.00 C ATOM 909 O ALA A 61 -18.466 -13.932 -6.671 1.00 0.00 O ATOM 910 CB ALA A 61 -15.944 -16.004 -7.369 1.00 0.00 C ATOM 0 H ALA A 61 -14.764 -15.692 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.971 -13.919 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.513 -15.884 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.878 -15.999 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.210 -16.951 -6.899 1.00 0.00 H new ATOM 916 N SER A 62 -18.251 -15.726 -5.330 1.00 0.00 N ATOM 917 CA SER A 62 -19.669 -15.782 -4.993 1.00 0.00 C ATOM 918 C SER A 62 -20.054 -14.629 -4.072 1.00 0.00 C ATOM 919 O SER A 62 -20.958 -13.851 -4.377 1.00 0.00 O ATOM 920 CB SER A 62 -20.004 -17.117 -4.325 1.00 0.00 C ATOM 921 OG SER A 62 -21.405 -17.303 -4.231 1.00 0.00 O ATOM 0 H SER A 62 -17.684 -16.449 -4.887 1.00 0.00 H new ATOM 0 HA SER A 62 -20.241 -15.693 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.563 -17.934 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 62 -19.562 -17.150 -3.329 1.00 0.00 H new ATOM 0 HG SER A 62 -21.593 -18.164 -3.802 1.00 0.00 H new ATOM 927 N ARG A 63 -19.361 -14.526 -2.942 1.00 0.00 N ATOM 928 CA ARG A 63 -19.631 -13.469 -1.975 1.00 0.00 C ATOM 929 C ARG A 63 -18.596 -12.353 -2.086 1.00 0.00 C ATOM 930 O ARG A 63 -17.618 -12.321 -1.339 1.00 0.00 O ATOM 931 CB ARG A 63 -19.632 -14.037 -0.554 1.00 0.00 C ATOM 932 CG ARG A 63 -19.899 -12.994 0.519 1.00 0.00 C ATOM 933 CD ARG A 63 -21.340 -12.509 0.478 1.00 0.00 C ATOM 934 NE ARG A 63 -21.547 -11.493 -0.550 1.00 0.00 N ATOM 935 CZ ARG A 63 -22.733 -11.213 -1.078 1.00 0.00 C ATOM 936 NH1 ARG A 63 -23.813 -11.868 -0.676 1.00 0.00 N ATOM 937 NH2 ARG A 63 -22.841 -10.274 -2.010 1.00 0.00 N ATOM 0 H ARG A 63 -18.609 -15.161 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 63 -20.614 -13.053 -2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.388 -14.819 -0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -18.668 -14.508 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.684 -13.417 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.225 -12.148 0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.002 -13.355 0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.613 -12.101 1.451 1.00 0.00 H new ATOM 0 HE ARG A 63 -20.736 -10.970 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.735 -12.589 0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.722 -11.651 -1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.013 -9.767 -2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -23.752 -10.060 -2.415 1.00 0.00 H new ATOM 951 N LYS A 64 -18.818 -11.439 -3.025 1.00 0.00 N ATOM 952 CA LYS A 64 -17.906 -10.321 -3.236 1.00 0.00 C ATOM 953 C LYS A 64 -18.086 -9.262 -2.153 1.00 0.00 C ATOM 954 O LYS A 64 -17.110 -8.731 -1.623 1.00 0.00 O ATOM 955 CB LYS A 64 -18.138 -9.700 -4.615 1.00 0.00 C ATOM 956 CG LYS A 64 -17.889 -10.662 -5.764 1.00 0.00 C ATOM 957 CD LYS A 64 -18.113 -9.992 -7.110 1.00 0.00 C ATOM 958 CE LYS A 64 -17.460 -10.776 -8.238 1.00 0.00 C ATOM 959 NZ LYS A 64 -18.269 -11.963 -8.630 1.00 0.00 N ATOM 0 H LYS A 64 -19.622 -11.451 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.886 -10.701 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.164 -9.336 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -17.486 -8.834 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.868 -11.039 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.552 -11.522 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -19.183 -9.902 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.708 -8.980 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.327 -10.126 -9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.467 -11.100 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.894 -12.362 -9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.220 -12.680 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.259 -11.677 -8.772 1.00 0.00 H new ATOM 973 N SER A 65 -19.339 -8.960 -1.829 1.00 0.00 N ATOM 974 CA SER A 65 -19.646 -7.962 -0.811 1.00 0.00 C ATOM 975 C SER A 65 -18.669 -8.058 0.357 1.00 0.00 C ATOM 976 O SER A 65 -18.202 -7.044 0.875 1.00 0.00 O ATOM 977 CB SER A 65 -21.080 -8.141 -0.307 1.00 0.00 C ATOM 978 OG SER A 65 -21.500 -7.017 0.446 1.00 0.00 O ATOM 0 H SER A 65 -20.158 -9.392 -2.257 1.00 0.00 H new ATOM 0 HA SER A 65 -19.548 -6.975 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.751 -8.287 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.143 -9.039 0.308 1.00 0.00 H new ATOM 0 HG SER A 65 -22.420 -7.155 0.755 1.00 0.00 H new ATOM 984 N ASP A 66 -18.364 -9.285 0.765 1.00 0.00 N ATOM 985 CA ASP A 66 -17.441 -9.516 1.870 1.00 0.00 C ATOM 986 C ASP A 66 -15.994 -9.461 1.391 1.00 0.00 C ATOM 987 O ASP A 66 -15.538 -10.338 0.658 1.00 0.00 O ATOM 988 CB ASP A 66 -17.724 -10.870 2.524 1.00 0.00 C ATOM 989 CG ASP A 66 -17.168 -10.960 3.931 1.00 0.00 C ATOM 990 OD1 ASP A 66 -17.534 -10.111 4.770 1.00 0.00 O ATOM 991 OD2 ASP A 66 -16.366 -11.881 4.194 1.00 0.00 O ATOM 0 H ASP A 66 -18.743 -10.135 0.347 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.591 -8.727 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.800 -11.040 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.291 -11.663 1.914 1.00 0.00 H new ATOM 996 N VAL A 67 -15.277 -8.422 1.809 1.00 0.00 N ATOM 997 CA VAL A 67 -13.881 -8.252 1.422 1.00 0.00 C ATOM 998 C VAL A 67 -12.986 -8.107 2.648 1.00 0.00 C ATOM 999 O VAL A 67 -13.401 -7.570 3.675 1.00 0.00 O ATOM 1000 CB VAL A 67 -13.696 -7.021 0.516 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -12.395 -7.122 -0.264 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -14.881 -6.870 -0.426 1.00 0.00 C ATOM 0 H VAL A 67 -15.640 -7.686 2.415 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.594 -9.146 0.869 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.646 -6.133 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.282 -6.243 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.557 -7.178 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.412 -8.018 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.733 -5.995 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.965 -7.759 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.795 -6.747 0.156 1.00 0.00 H new ATOM 1012 N THR A 68 -11.752 -8.590 2.533 1.00 0.00 N ATOM 1013 CA THR A 68 -10.797 -8.515 3.631 1.00 0.00 C ATOM 1014 C THR A 68 -9.687 -7.515 3.327 1.00 0.00 C ATOM 1015 O THR A 68 -9.187 -7.452 2.204 1.00 0.00 O ATOM 1016 CB THR A 68 -10.168 -9.890 3.923 1.00 0.00 C ATOM 1017 OG1 THR A 68 -11.195 -10.874 4.084 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.308 -9.836 5.177 1.00 0.00 C ATOM 0 H THR A 68 -11.391 -9.037 1.690 1.00 0.00 H new ATOM 0 HA THR A 68 -11.351 -8.183 4.509 1.00 0.00 H new ATOM 0 HB THR A 68 -9.534 -10.162 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.787 -11.746 4.268 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.874 -10.818 5.363 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.509 -9.107 5.039 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.923 -9.544 6.028 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.307 -6.735 4.334 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.256 -5.738 4.173 1.00 0.00 C ATOM 1028 C GLU A 69 -6.913 -6.278 4.657 1.00 0.00 C ATOM 1029 O GLU A 69 -6.839 -6.967 5.676 1.00 0.00 O ATOM 1030 CB GLU A 69 -8.610 -4.461 4.939 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.641 -3.317 4.696 1.00 0.00 C ATOM 1032 CD GLU A 69 -6.266 -3.584 5.275 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -6.190 -4.109 6.406 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -5.265 -3.268 4.599 1.00 0.00 O ATOM 0 H GLU A 69 -9.711 -6.775 5.270 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.173 -5.505 3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.613 -4.143 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.637 -4.683 6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.552 -3.143 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.045 -2.404 5.135 1.00 0.00 H new ATOM 1041 N THR A 70 -5.853 -5.963 3.920 1.00 0.00 N ATOM 1042 CA THR A 70 -4.514 -6.417 4.272 1.00 0.00 C ATOM 1043 C THR A 70 -3.491 -5.301 4.098 1.00 0.00 C ATOM 1044 O THR A 70 -3.289 -4.798 2.992 1.00 0.00 O ATOM 1045 CB THR A 70 -4.089 -7.627 3.418 1.00 0.00 C ATOM 1046 OG1 THR A 70 -5.047 -8.682 3.553 1.00 0.00 O ATOM 1047 CG2 THR A 70 -2.714 -8.126 3.835 1.00 0.00 C ATOM 0 H THR A 70 -5.896 -5.394 3.074 1.00 0.00 H new ATOM 0 HA THR A 70 -4.546 -6.715 5.320 1.00 0.00 H new ATOM 0 HB THR A 70 -4.043 -7.311 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.075 -9.207 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.435 -8.980 3.219 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.982 -7.329 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.738 -8.427 4.882 1.00 0.00 H new ATOM 1055 N LEU A 71 -2.847 -4.918 5.195 1.00 0.00 N ATOM 1056 CA LEU A 71 -1.843 -3.861 5.162 1.00 0.00 C ATOM 1057 C LEU A 71 -0.439 -4.438 5.319 1.00 0.00 C ATOM 1058 O LEU A 71 -0.167 -5.189 6.255 1.00 0.00 O ATOM 1059 CB LEU A 71 -2.113 -2.840 6.269 1.00 0.00 C ATOM 1060 CG LEU A 71 -1.673 -1.404 5.980 1.00 0.00 C ATOM 1061 CD1 LEU A 71 -0.206 -1.365 5.582 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -2.539 -0.790 4.889 1.00 0.00 C ATOM 0 H LEU A 71 -3.002 -5.324 6.118 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.906 -3.364 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.183 -2.836 6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.612 -3.177 7.176 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.798 -0.817 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.089 -0.335 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.402 -1.764 6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.056 -1.968 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.212 0.232 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.446 -1.379 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.580 -0.783 5.212 1.00 0.00 H new ATOM 1074 N VAL A 72 0.449 -4.079 4.397 1.00 0.00 N ATOM 1075 CA VAL A 72 1.825 -4.558 4.434 1.00 0.00 C ATOM 1076 C VAL A 72 2.812 -3.396 4.440 1.00 0.00 C ATOM 1077 O VAL A 72 2.416 -2.232 4.387 1.00 0.00 O ATOM 1078 CB VAL A 72 2.134 -5.473 3.234 1.00 0.00 C ATOM 1079 CG1 VAL A 72 1.343 -6.769 3.333 1.00 0.00 C ATOM 1080 CG2 VAL A 72 1.835 -4.755 1.927 1.00 0.00 C ATOM 0 H VAL A 72 0.240 -3.458 3.615 1.00 0.00 H new ATOM 0 HA VAL A 72 1.936 -5.130 5.355 1.00 0.00 H new ATOM 0 HB VAL A 72 3.195 -5.721 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.574 -7.403 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.611 -7.289 4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.276 -6.545 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.059 -5.416 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.782 -4.476 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.450 -3.858 1.856 1.00 0.00 H new ATOM 1090 N SER A 73 4.099 -3.720 4.504 1.00 0.00 N ATOM 1091 CA SER A 73 5.144 -2.702 4.520 1.00 0.00 C ATOM 1092 C SER A 73 5.328 -2.091 3.135 1.00 0.00 C ATOM 1093 O SER A 73 4.992 -2.705 2.123 1.00 0.00 O ATOM 1094 CB SER A 73 6.464 -3.305 5.004 1.00 0.00 C ATOM 1095 OG SER A 73 6.587 -3.199 6.412 1.00 0.00 O ATOM 0 H SER A 73 4.444 -4.679 4.546 1.00 0.00 H new ATOM 0 HA SER A 73 4.839 -1.913 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.519 -4.353 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.299 -2.795 4.523 1.00 0.00 H new ATOM 0 HG SER A 73 7.438 -3.593 6.697 1.00 0.00 H new ATOM 1101 N GLY A 74 5.865 -0.875 3.097 1.00 0.00 N ATOM 1102 CA GLY A 74 6.084 -0.200 1.832 1.00 0.00 C ATOM 1103 C GLY A 74 7.071 -0.934 0.946 1.00 0.00 C ATOM 1104 O GLY A 74 6.756 -1.282 -0.193 1.00 0.00 O ATOM 0 H GLY A 74 6.152 -0.346 3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.134 -0.101 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.451 0.809 2.021 1.00 0.00 H new ATOM 1108 N THR A 75 8.270 -1.172 1.468 1.00 0.00 N ATOM 1109 CA THR A 75 9.307 -1.867 0.717 1.00 0.00 C ATOM 1110 C THR A 75 8.903 -3.307 0.425 1.00 0.00 C ATOM 1111 O THR A 75 9.486 -3.962 -0.438 1.00 0.00 O ATOM 1112 CB THR A 75 10.648 -1.865 1.475 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.626 -2.611 0.743 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.484 -2.462 2.865 1.00 0.00 C ATOM 0 H THR A 75 8.547 -0.893 2.409 1.00 0.00 H new ATOM 0 HA THR A 75 9.430 -1.329 -0.223 1.00 0.00 H new ATOM 0 HB THR A 75 10.981 -0.832 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.175 -3.212 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.444 -2.450 3.382 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.760 -1.875 3.430 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.130 -3.490 2.780 1.00 0.00 H new ATOM 1122 N GLN A 76 7.901 -3.794 1.150 1.00 0.00 N ATOM 1123 CA GLN A 76 7.419 -5.158 0.968 1.00 0.00 C ATOM 1124 C GLN A 76 6.617 -5.284 -0.323 1.00 0.00 C ATOM 1125 O GLN A 76 5.524 -4.730 -0.444 1.00 0.00 O ATOM 1126 CB GLN A 76 6.559 -5.581 2.160 1.00 0.00 C ATOM 1127 CG GLN A 76 5.866 -6.920 1.966 1.00 0.00 C ATOM 1128 CD GLN A 76 5.549 -7.609 3.279 1.00 0.00 C ATOM 1129 OE1 GLN A 76 6.370 -7.628 4.197 1.00 0.00 O ATOM 1130 NE2 GLN A 76 4.354 -8.180 3.375 1.00 0.00 N ATOM 0 H GLN A 76 7.407 -3.264 1.869 1.00 0.00 H new ATOM 0 HA GLN A 76 8.285 -5.817 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.186 -5.632 3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.806 -4.815 2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.942 -6.769 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.501 -7.569 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.705 -8.140 2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.085 -8.659 4.235 1.00 0.00 H new ATOM 1139 N LEU A 77 7.166 -6.017 -1.285 1.00 0.00 N ATOM 1140 CA LEU A 77 6.502 -6.216 -2.569 1.00 0.00 C ATOM 1141 C LEU A 77 5.891 -7.611 -2.655 1.00 0.00 C ATOM 1142 O LEU A 77 5.765 -8.178 -3.740 1.00 0.00 O ATOM 1143 CB LEU A 77 7.493 -6.009 -3.716 1.00 0.00 C ATOM 1144 CG LEU A 77 8.176 -4.642 -3.774 1.00 0.00 C ATOM 1145 CD1 LEU A 77 9.293 -4.647 -4.806 1.00 0.00 C ATOM 1146 CD2 LEU A 77 7.162 -3.552 -4.089 1.00 0.00 C ATOM 0 H LEU A 77 8.069 -6.484 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 77 5.700 -5.482 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.265 -6.776 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.968 -6.171 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 77 8.612 -4.434 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.768 -3.666 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.033 -5.401 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.880 -4.878 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.666 -2.586 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.696 -3.756 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.396 -3.532 -3.313 1.00 0.00 H new ATOM 1158 N SER A 78 5.513 -8.158 -1.504 1.00 0.00 N ATOM 1159 CA SER A 78 4.916 -9.488 -1.449 1.00 0.00 C ATOM 1160 C SER A 78 3.950 -9.601 -0.274 1.00 0.00 C ATOM 1161 O SER A 78 4.103 -8.917 0.737 1.00 0.00 O ATOM 1162 CB SER A 78 6.007 -10.554 -1.333 1.00 0.00 C ATOM 1163 OG SER A 78 6.674 -10.467 -0.085 1.00 0.00 O ATOM 0 H SER A 78 5.609 -7.701 -0.597 1.00 0.00 H new ATOM 0 HA SER A 78 4.358 -9.649 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.566 -11.544 -1.445 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.726 -10.432 -2.143 1.00 0.00 H new ATOM 0 HG SER A 78 7.365 -11.160 -0.035 1.00 0.00 H new ATOM 1169 N GLN A 79 2.955 -10.471 -0.417 1.00 0.00 N ATOM 1170 CA GLN A 79 1.962 -10.674 0.632 1.00 0.00 C ATOM 1171 C GLN A 79 1.379 -12.081 0.564 1.00 0.00 C ATOM 1172 O GLN A 79 0.981 -12.549 -0.504 1.00 0.00 O ATOM 1173 CB GLN A 79 0.843 -9.638 0.512 1.00 0.00 C ATOM 1174 CG GLN A 79 -0.028 -9.537 1.754 1.00 0.00 C ATOM 1175 CD GLN A 79 -0.373 -10.893 2.336 1.00 0.00 C ATOM 1176 OE1 GLN A 79 -0.922 -11.756 1.649 1.00 0.00 O ATOM 1177 NE2 GLN A 79 -0.053 -11.090 3.610 1.00 0.00 N ATOM 0 H GLN A 79 2.815 -11.046 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 79 2.457 -10.552 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.283 -8.662 0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.215 -9.891 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.488 -8.943 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.948 -9.008 1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.401 -10.348 4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.261 -11.983 4.056 1.00 0.00 H new ATOM 1186 N LEU A 80 1.330 -12.752 1.709 1.00 0.00 N ATOM 1187 CA LEU A 80 0.795 -14.108 1.780 1.00 0.00 C ATOM 1188 C LEU A 80 -0.543 -14.127 2.513 1.00 0.00 C ATOM 1189 O LEU A 80 -0.600 -13.923 3.726 1.00 0.00 O ATOM 1190 CB LEU A 80 1.788 -15.034 2.483 1.00 0.00 C ATOM 1191 CG LEU A 80 1.421 -16.518 2.508 1.00 0.00 C ATOM 1192 CD1 LEU A 80 1.289 -17.058 1.092 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.459 -17.311 3.289 1.00 0.00 C ATOM 0 H LEU A 80 1.654 -12.380 2.602 1.00 0.00 H new ATOM 0 HA LEU A 80 0.636 -14.463 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.758 -14.929 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.907 -14.692 3.511 1.00 0.00 H new ATOM 0 HG LEU A 80 0.459 -16.627 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.027 -18.116 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.509 -16.509 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.236 -16.937 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.182 -18.365 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.435 -17.196 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.505 -16.941 4.313 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.616 -14.376 1.769 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.952 -14.426 2.349 1.00 0.00 C ATOM 1207 C ILE A 81 -3.319 -15.847 2.763 1.00 0.00 C ATOM 1208 O ILE A 81 -3.641 -16.685 1.922 1.00 0.00 O ATOM 1209 CB ILE A 81 -4.013 -13.900 1.365 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.727 -12.440 1.004 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.405 -14.040 1.962 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.690 -11.518 2.203 1.00 0.00 C ATOM 0 H ILE A 81 -1.586 -14.546 0.764 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.937 -13.786 3.231 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.968 -14.496 0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.772 -12.383 0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.490 -12.089 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.144 -13.664 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.606 -15.090 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.464 -13.466 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.483 -10.500 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.653 -11.545 2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.907 -11.844 2.888 1.00 0.00 H new ATOM 1224 N GLU A 82 -3.269 -16.109 4.066 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.597 -17.429 4.591 1.00 0.00 C ATOM 1226 C GLU A 82 -5.043 -17.477 5.077 1.00 0.00 C ATOM 1227 O GLU A 82 -5.661 -16.443 5.324 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.650 -17.797 5.736 1.00 0.00 C ATOM 1229 CG GLU A 82 -1.205 -17.970 5.299 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.229 -17.852 6.453 1.00 0.00 C ATOM 1231 OE1 GLU A 82 0.018 -18.874 7.127 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.288 -16.738 6.682 1.00 0.00 O ATOM 0 H GLU A 82 -3.005 -15.426 4.776 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.478 -18.152 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.699 -17.022 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.994 -18.722 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.087 -18.945 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.965 -17.219 4.546 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.576 -18.688 5.211 1.00 0.00 N ATOM 1240 CA GLY A 83 -6.945 -18.849 5.666 1.00 0.00 C ATOM 1241 C GLY A 83 -7.926 -18.976 4.517 1.00 0.00 C ATOM 1242 O GLY A 83 -9.015 -18.401 4.555 1.00 0.00 O ATOM 0 H GLY A 83 -5.085 -19.560 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.013 -19.735 6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.222 -17.995 6.284 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.542 -19.729 3.493 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.395 -19.928 2.327 1.00 0.00 C ATOM 1248 C LEU A 84 -8.844 -21.382 2.222 1.00 0.00 C ATOM 1249 O LEU A 84 -8.412 -22.233 3.000 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.655 -19.518 1.052 1.00 0.00 C ATOM 1251 CG LEU A 84 -7.064 -18.108 1.044 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -5.855 -18.041 0.124 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -8.115 -17.092 0.620 1.00 0.00 C ATOM 0 H LEU A 84 -6.645 -20.212 3.446 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.279 -19.301 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.848 -20.230 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.343 -19.607 0.212 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.739 -17.865 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.448 -17.030 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.095 -18.741 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.155 -18.304 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.677 -16.094 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.470 -17.333 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.952 -17.121 1.318 1.00 0.00 H new ATOM 1265 N ASP A 85 -9.710 -21.660 1.255 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.215 -23.012 1.046 1.00 0.00 C ATOM 1267 C ASP A 85 -9.736 -23.571 -0.291 1.00 0.00 C ATOM 1268 O ASP A 85 -9.340 -22.820 -1.182 1.00 0.00 O ATOM 1269 CB ASP A 85 -11.744 -23.023 1.098 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.276 -22.769 2.495 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -12.426 -21.586 2.866 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -12.543 -23.753 3.217 1.00 0.00 O ATOM 0 H ASP A 85 -10.077 -20.967 0.603 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.827 -23.645 1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.133 -22.264 0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.110 -23.986 0.742 1.00 0.00 H new ATOM 1277 N ARG A 86 -9.775 -24.893 -0.422 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.343 -25.552 -1.649 1.00 0.00 C ATOM 1279 C ARG A 86 -10.470 -25.580 -2.677 1.00 0.00 C ATOM 1280 O ARG A 86 -11.642 -25.429 -2.333 1.00 0.00 O ATOM 1281 CB ARG A 86 -8.875 -26.977 -1.349 1.00 0.00 C ATOM 1282 CG ARG A 86 -9.911 -27.818 -0.621 1.00 0.00 C ATOM 1283 CD ARG A 86 -9.765 -29.294 -0.955 1.00 0.00 C ATOM 1284 NE ARG A 86 -10.511 -30.141 -0.029 1.00 0.00 N ATOM 1285 CZ ARG A 86 -10.932 -31.365 -0.328 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -10.680 -31.883 -1.522 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -11.605 -32.075 0.569 1.00 0.00 N ATOM 0 H ARG A 86 -10.101 -25.529 0.306 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.511 -24.983 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.613 -27.469 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.967 -26.933 -0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.806 -27.675 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.911 -27.480 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.116 -29.472 -1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.711 -29.569 -0.929 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.721 -29.773 0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.162 -31.342 -2.214 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.004 -32.823 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.800 -31.681 1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.928 -33.015 0.338 1.00 0.00 H new ATOM 1301 N GLY A 87 -10.107 -25.775 -3.941 1.00 0.00 N ATOM 1302 CA GLY A 87 -11.098 -25.818 -5.000 1.00 0.00 C ATOM 1303 C GLY A 87 -12.085 -24.671 -4.917 1.00 0.00 C ATOM 1304 O GLY A 87 -13.298 -24.882 -4.940 1.00 0.00 O ATOM 0 H GLY A 87 -9.144 -25.904 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.594 -25.791 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.639 -26.763 -4.949 1.00 0.00 H new ATOM 1308 N THR A 88 -11.566 -23.451 -4.820 1.00 0.00 N ATOM 1309 CA THR A 88 -12.409 -22.266 -4.731 1.00 0.00 C ATOM 1310 C THR A 88 -11.721 -21.054 -5.347 1.00 0.00 C ATOM 1311 O THR A 88 -10.521 -20.851 -5.165 1.00 0.00 O ATOM 1312 CB THR A 88 -12.776 -21.946 -3.269 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.343 -23.101 -2.642 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.761 -20.789 -3.200 1.00 0.00 C ATOM 0 H THR A 88 -10.565 -23.258 -4.801 1.00 0.00 H new ATOM 0 HA THR A 88 -13.321 -22.484 -5.287 1.00 0.00 H new ATOM 0 HB THR A 88 -11.865 -21.659 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.638 -23.759 -2.470 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.006 -20.581 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.314 -19.903 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.670 -21.052 -3.740 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.489 -20.250 -6.077 1.00 0.00 N ATOM 1323 CA GLU A 89 -11.951 -19.057 -6.720 1.00 0.00 C ATOM 1324 C GLU A 89 -11.956 -17.872 -5.759 1.00 0.00 C ATOM 1325 O GLU A 89 -12.882 -17.707 -4.965 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.761 -18.717 -7.972 1.00 0.00 C ATOM 1327 CG GLU A 89 -12.168 -17.583 -8.792 1.00 0.00 C ATOM 1328 CD GLU A 89 -12.620 -17.611 -10.239 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -11.998 -18.341 -11.040 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -13.593 -16.903 -10.571 1.00 0.00 O ATOM 0 H GLU A 89 -13.485 -20.403 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.920 -19.264 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.836 -19.606 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.775 -18.448 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.451 -16.630 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.080 -17.642 -8.754 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.916 -17.050 -5.838 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.798 -15.881 -4.974 1.00 0.00 C ATOM 1339 C TYR A 90 -10.182 -14.706 -5.728 1.00 0.00 C ATOM 1340 O TYR A 90 -9.221 -14.871 -6.479 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.951 -16.213 -3.745 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.564 -17.270 -2.855 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -11.589 -16.954 -1.972 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -10.118 -18.585 -2.897 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -12.151 -17.917 -1.156 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.675 -19.555 -2.086 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.691 -19.216 -1.217 1.00 0.00 C ATOM 1348 OH TYR A 90 -12.250 -20.178 -0.407 1.00 0.00 O ATOM 0 H TYR A 90 -10.142 -17.171 -6.491 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.800 -15.597 -4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.968 -16.551 -4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.798 -15.304 -3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.953 -15.938 -1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.322 -18.854 -3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -12.946 -17.654 -0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.317 -20.573 -2.132 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.953 -19.774 0.144 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.743 -13.519 -5.521 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.250 -12.315 -6.181 1.00 0.00 C ATOM 1360 C ASN A 91 -9.286 -11.555 -5.275 1.00 0.00 C ATOM 1361 O ASN A 91 -9.416 -11.581 -4.051 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.419 -11.409 -6.574 1.00 0.00 C ATOM 1363 CG ASN A 91 -12.683 -12.193 -6.871 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -13.721 -11.979 -6.244 1.00 0.00 O ATOM 1365 ND2 ASN A 91 -12.601 -13.106 -7.832 1.00 0.00 N ATOM 0 H ASN A 91 -11.539 -13.365 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.714 -12.617 -7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.614 -10.702 -5.768 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.143 -10.824 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.419 -13.664 -8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.720 -13.249 -8.325 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.319 -10.879 -5.886 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.331 -10.112 -5.135 1.00 0.00 C ATOM 1374 C PHE A 92 -6.987 -8.813 -5.859 1.00 0.00 C ATOM 1375 O PHE A 92 -7.124 -8.714 -7.079 1.00 0.00 O ATOM 1376 CB PHE A 92 -6.063 -10.941 -4.923 1.00 0.00 C ATOM 1377 CG PHE A 92 -6.305 -12.227 -4.185 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -6.851 -13.322 -4.834 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -5.987 -12.340 -2.841 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -7.075 -14.507 -4.158 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -6.208 -13.522 -2.160 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.754 -14.606 -2.819 1.00 0.00 C ATOM 0 H PHE A 92 -8.198 -10.846 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.761 -9.865 -4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.619 -11.166 -5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.337 -10.345 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.105 -13.249 -5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.562 -11.495 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.500 -15.354 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.954 -13.598 -1.113 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.930 -15.530 -2.288 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.540 -7.819 -5.098 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.178 -6.526 -5.666 1.00 0.00 C ATOM 1394 C ARG A 93 -5.124 -5.832 -4.809 1.00 0.00 C ATOM 1395 O ARG A 93 -5.204 -5.839 -3.580 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.416 -5.635 -5.790 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.087 -5.336 -4.460 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.772 -3.978 -4.474 1.00 0.00 C ATOM 1399 NE ARG A 93 -10.162 -4.071 -4.913 1.00 0.00 N ATOM 1400 CZ ARG A 93 -11.096 -3.183 -4.590 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -10.789 -2.141 -3.829 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -12.339 -3.336 -5.028 1.00 0.00 N ATOM 0 H ARG A 93 -6.420 -7.884 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.760 -6.697 -6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.131 -4.695 -6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.136 -6.118 -6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.820 -6.112 -4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.344 -5.362 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.736 -3.543 -3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.227 -3.304 -5.135 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.430 -4.861 -5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.834 -2.020 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.508 -1.460 -3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.579 -4.136 -5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.055 -2.653 -4.779 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.134 -5.235 -5.465 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.064 -4.536 -4.764 1.00 0.00 C ATOM 1418 C VAL A 94 -3.146 -3.031 -4.994 1.00 0.00 C ATOM 1419 O VAL A 94 -3.377 -2.576 -6.114 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.678 -5.037 -5.213 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.575 -4.254 -4.517 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.538 -6.528 -4.942 1.00 0.00 C ATOM 0 H VAL A 94 -4.051 -5.222 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.193 -4.746 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.582 -4.875 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.396 -4.622 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.666 -3.197 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.664 -4.381 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.553 -6.866 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.654 -6.716 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.306 -7.071 -5.492 1.00 0.00 H new ATOM 1432 N ALA A 95 -2.956 -2.264 -3.926 1.00 0.00 N ATOM 1433 CA ALA A 95 -3.006 -0.809 -4.012 1.00 0.00 C ATOM 1434 C ALA A 95 -1.859 -0.174 -3.234 1.00 0.00 C ATOM 1435 O ALA A 95 -1.385 -0.729 -2.244 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.343 -0.297 -3.498 1.00 0.00 C ATOM 0 H ALA A 95 -2.766 -2.625 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.899 -0.527 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.367 0.791 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.149 -0.717 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.472 -0.597 -2.458 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.417 0.994 -3.689 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.327 1.706 -3.035 1.00 0.00 C ATOM 1444 C ALA A 96 -0.859 2.776 -2.088 1.00 0.00 C ATOM 1445 O ALA A 96 -1.923 3.353 -2.322 1.00 0.00 O ATOM 1446 CB ALA A 96 0.595 2.328 -4.073 1.00 0.00 C ATOM 0 H ALA A 96 -1.798 1.467 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 96 0.241 0.987 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.405 2.857 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.011 1.544 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.030 3.029 -4.688 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.115 3.038 -1.019 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.513 4.039 -0.036 1.00 0.00 C ATOM 1454 C LEU A 97 0.581 5.086 0.148 1.00 0.00 C ATOM 1455 O LEU A 97 1.765 4.756 0.229 1.00 0.00 O ATOM 1456 CB LEU A 97 -0.827 3.371 1.304 1.00 0.00 C ATOM 1457 CG LEU A 97 -2.001 2.391 1.306 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -1.822 1.347 2.397 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.316 3.135 1.488 1.00 0.00 C ATOM 0 H LEU A 97 0.768 2.571 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.409 4.538 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.064 2.841 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.030 4.151 2.038 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.026 1.881 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.667 0.658 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.899 0.793 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.771 1.840 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.141 2.422 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.302 3.672 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.449 3.844 0.671 1.00 0.00 H new ATOM 1471 N THR A 98 0.177 6.351 0.217 1.00 0.00 N ATOM 1472 CA THR A 98 1.122 7.446 0.394 1.00 0.00 C ATOM 1473 C THR A 98 0.610 8.455 1.415 1.00 0.00 C ATOM 1474 O THR A 98 -0.544 8.392 1.839 1.00 0.00 O ATOM 1475 CB THR A 98 1.395 8.173 -0.937 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.169 8.675 -1.480 1.00 0.00 O ATOM 1477 CG2 THR A 98 2.054 7.238 -1.939 1.00 0.00 C ATOM 0 H THR A 98 -0.799 6.642 0.153 1.00 0.00 H new ATOM 0 HA THR A 98 2.051 7.006 0.757 1.00 0.00 H new ATOM 0 HB THR A 98 2.072 9.004 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.585 8.335 -0.954 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.237 7.774 -2.871 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.001 6.880 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.397 6.389 -2.131 1.00 0.00 H new ATOM 1485 N ILE A 99 1.475 9.384 1.807 1.00 0.00 N ATOM 1486 CA ILE A 99 1.109 10.408 2.778 1.00 0.00 C ATOM 1487 C ILE A 99 -0.154 11.146 2.348 1.00 0.00 C ATOM 1488 O ILE A 99 -0.956 11.564 3.182 1.00 0.00 O ATOM 1489 CB ILE A 99 2.245 11.428 2.976 1.00 0.00 C ATOM 1490 CG1 ILE A 99 1.828 12.499 3.987 1.00 0.00 C ATOM 1491 CG2 ILE A 99 2.622 12.065 1.647 1.00 0.00 C ATOM 1492 CD1 ILE A 99 2.994 13.263 4.574 1.00 0.00 C ATOM 0 H ILE A 99 2.435 9.449 1.467 1.00 0.00 H new ATOM 0 HA ILE A 99 0.924 9.896 3.722 1.00 0.00 H new ATOM 0 HB ILE A 99 3.118 10.906 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.151 13.202 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.270 12.026 4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.426 12.784 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.956 11.292 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.755 12.576 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.624 14.005 5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.660 12.571 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.540 13.765 3.775 1.00 0.00 H new ATOM 1504 N ASN A 100 -0.325 11.303 1.039 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.491 11.990 0.497 1.00 0.00 C ATOM 1506 C ASN A 100 -2.768 11.206 0.787 1.00 0.00 C ATOM 1507 O ASN A 100 -3.867 11.757 0.758 1.00 0.00 O ATOM 1508 CB ASN A 100 -1.335 12.192 -1.011 1.00 0.00 C ATOM 1509 CG ASN A 100 -0.328 13.275 -1.348 1.00 0.00 C ATOM 1510 OD1 ASN A 100 -0.632 14.466 -1.274 1.00 0.00 O ATOM 1511 ND2 ASN A 100 0.879 12.865 -1.722 1.00 0.00 N ATOM 0 H ASN A 100 0.330 10.963 0.334 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.565 12.964 0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.023 11.254 -1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.302 12.452 -1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.598 13.548 -1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.087 11.868 -1.769 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.613 9.916 1.067 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.761 9.077 1.359 1.00 0.00 C ATOM 1520 C GLY A 101 -3.780 7.811 0.525 1.00 0.00 C ATOM 1521 O GLY A 101 -2.788 7.464 -0.116 1.00 0.00 O ATOM 0 H GLY A 101 -1.713 9.437 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.754 8.812 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.676 9.642 1.178 1.00 0.00 H new ATOM 1525 N THR A 102 -4.914 7.116 0.534 1.00 0.00 N ATOM 1526 CA THR A 102 -5.058 5.880 -0.224 1.00 0.00 C ATOM 1527 C THR A 102 -4.621 6.069 -1.672 1.00 0.00 C ATOM 1528 O THR A 102 -4.575 7.190 -2.175 1.00 0.00 O ATOM 1529 CB THR A 102 -6.512 5.372 -0.200 1.00 0.00 C ATOM 1530 OG1 THR A 102 -7.411 6.449 -0.485 1.00 0.00 O ATOM 1531 CG2 THR A 102 -6.852 4.766 1.154 1.00 0.00 C ATOM 0 H THR A 102 -5.745 7.389 1.058 1.00 0.00 H new ATOM 0 HA THR A 102 -4.415 5.140 0.253 1.00 0.00 H new ATOM 0 HB THR A 102 -6.616 4.600 -0.962 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.333 6.118 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.884 4.414 1.147 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.185 3.928 1.356 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.732 5.521 1.931 1.00 0.00 H new ATOM 1539 N GLY A 103 -4.303 4.963 -2.339 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.875 5.029 -3.724 1.00 0.00 C ATOM 1541 C GLY A 103 -4.682 4.115 -4.624 1.00 0.00 C ATOM 1542 O GLY A 103 -5.656 3.492 -4.200 1.00 0.00 O ATOM 0 H GLY A 103 -4.334 4.023 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.964 6.055 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.821 4.759 -3.789 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.277 4.027 -5.900 1.00 0.00 N ATOM 1547 CA PRO A 104 -4.956 3.186 -6.890 1.00 0.00 C ATOM 1548 C PRO A 104 -4.757 1.698 -6.621 1.00 0.00 C ATOM 1549 O PRO A 104 -3.784 1.298 -5.982 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.292 3.584 -8.210 1.00 0.00 C ATOM 1551 CG PRO A 104 -2.947 4.092 -7.819 1.00 0.00 C ATOM 1552 CD PRO A 104 -3.125 4.741 -6.474 1.00 0.00 C ATOM 0 HA PRO A 104 -6.036 3.335 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.213 2.732 -8.886 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.869 4.350 -8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.223 3.279 -7.767 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.572 4.807 -8.551 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.235 4.632 -5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.320 5.809 -6.566 1.00 0.00 H new ATOM 1560 N ALA A 105 -5.684 0.883 -7.113 1.00 0.00 N ATOM 1561 CA ALA A 105 -5.608 -0.561 -6.927 1.00 0.00 C ATOM 1562 C ALA A 105 -5.587 -1.287 -8.268 1.00 0.00 C ATOM 1563 O ALA A 105 -6.087 -0.775 -9.271 1.00 0.00 O ATOM 1564 CB ALA A 105 -6.775 -1.047 -6.081 1.00 0.00 C ATOM 0 H ALA A 105 -6.496 1.198 -7.643 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.677 -0.786 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.705 -2.127 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.745 -0.561 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.713 -0.802 -6.580 1.00 0.00 H new ATOM 1570 N THR A 106 -5.004 -2.482 -8.281 1.00 0.00 N ATOM 1571 CA THR A 106 -4.916 -3.276 -9.499 1.00 0.00 C ATOM 1572 C THR A 106 -6.254 -3.930 -9.827 1.00 0.00 C ATOM 1573 O THR A 106 -7.172 -3.932 -9.007 1.00 0.00 O ATOM 1574 CB THR A 106 -3.839 -4.371 -9.379 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.153 -5.250 -8.293 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.465 -3.756 -9.160 1.00 0.00 C ATOM 0 H THR A 106 -4.586 -2.921 -7.461 1.00 0.00 H new ATOM 0 HA THR A 106 -4.642 -2.593 -10.303 1.00 0.00 H new ATOM 0 HB THR A 106 -3.822 -4.937 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.570 -6.065 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.721 -4.548 -9.078 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.217 -3.110 -10.002 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.472 -3.168 -8.242 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.357 -4.484 -11.030 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.583 -5.143 -11.466 1.00 0.00 C ATOM 1586 C ASP A 107 -7.903 -6.339 -10.575 1.00 0.00 C ATOM 1587 O ASP A 107 -7.092 -6.738 -9.740 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.455 -5.595 -12.921 1.00 0.00 C ATOM 1589 CG ASP A 107 -8.796 -5.674 -13.623 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -9.262 -4.633 -14.131 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -9.381 -6.777 -13.663 1.00 0.00 O ATOM 0 H ASP A 107 -5.606 -4.490 -11.721 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.400 -4.425 -11.388 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -6.807 -4.902 -13.458 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.973 -6.572 -12.954 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.091 -6.905 -10.758 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.519 -8.055 -9.969 1.00 0.00 C ATOM 1598 C TRP A 108 -9.057 -9.358 -10.612 1.00 0.00 C ATOM 1599 O TRP A 108 -9.735 -9.909 -11.480 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.041 -8.058 -9.819 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.521 -7.294 -8.622 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.337 -6.199 -8.622 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.212 -7.567 -7.251 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -12.554 -5.775 -7.333 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -11.876 -6.598 -6.473 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.442 -8.537 -6.604 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -11.790 -6.572 -5.084 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.358 -8.510 -5.225 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.029 -7.534 -4.477 1.00 0.00 C ATOM 0 H TRP A 108 -9.774 -6.587 -11.445 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.064 -7.977 -8.982 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.488 -7.631 -10.717 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.390 -9.088 -9.748 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -12.751 -5.735 -9.505 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.127 -4.977 -7.061 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -9.922 -9.294 -7.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -12.305 -5.819 -4.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -9.765 -9.254 -4.715 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -10.944 -7.541 -3.400 1.00 0.00 H new ATOM 1620 N LEU A 109 -7.899 -9.847 -10.182 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.346 -11.086 -10.716 1.00 0.00 C ATOM 1622 C LEU A 109 -7.900 -12.296 -9.970 1.00 0.00 C ATOM 1623 O LEU A 109 -7.675 -12.454 -8.770 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.819 -11.070 -10.621 1.00 0.00 C ATOM 1625 CG LEU A 109 -5.074 -11.939 -11.635 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.333 -11.447 -13.051 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.582 -11.947 -11.335 1.00 0.00 C ATOM 0 H LEU A 109 -7.325 -9.404 -9.465 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.638 -11.163 -11.763 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.479 -10.041 -10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.534 -11.391 -9.619 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.446 -12.960 -11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.795 -12.077 -13.759 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.401 -11.493 -13.263 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.989 -10.417 -13.147 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.067 -12.570 -12.066 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.195 -10.930 -11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.414 -12.347 -10.335 1.00 0.00 H new ATOM 1639 N SER A 110 -8.625 -13.147 -10.689 1.00 0.00 N ATOM 1640 CA SER A 110 -9.213 -14.342 -10.095 1.00 0.00 C ATOM 1641 C SER A 110 -8.214 -15.496 -10.094 1.00 0.00 C ATOM 1642 O SER A 110 -7.582 -15.785 -11.110 1.00 0.00 O ATOM 1643 CB SER A 110 -10.477 -14.747 -10.856 1.00 0.00 C ATOM 1644 OG SER A 110 -10.201 -14.949 -12.231 1.00 0.00 O ATOM 0 H SER A 110 -8.819 -13.031 -11.684 1.00 0.00 H new ATOM 0 HA SER A 110 -9.477 -14.112 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.887 -15.661 -10.426 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.236 -13.973 -10.744 1.00 0.00 H new ATOM 0 HG SER A 110 -9.257 -15.185 -12.344 1.00 0.00 H new ATOM 1650 N ALA A 111 -8.079 -16.152 -8.946 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.160 -17.275 -8.812 1.00 0.00 C ATOM 1652 C ALA A 111 -7.835 -18.459 -8.127 1.00 0.00 C ATOM 1653 O ALA A 111 -8.436 -18.311 -7.064 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.919 -16.853 -8.039 1.00 0.00 C ATOM 0 H ALA A 111 -8.594 -15.925 -8.096 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.862 -17.589 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.242 -17.702 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.417 -16.044 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.208 -16.510 -7.046 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.733 -19.631 -8.745 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.336 -20.839 -8.194 1.00 0.00 C ATOM 1662 C GLU A 112 -7.283 -21.713 -7.518 1.00 0.00 C ATOM 1663 O GLU A 112 -6.356 -22.202 -8.165 1.00 0.00 O ATOM 1664 CB GLU A 112 -9.042 -21.632 -9.296 1.00 0.00 C ATOM 1665 CG GLU A 112 -9.966 -22.717 -8.769 1.00 0.00 C ATOM 1666 CD GLU A 112 -10.781 -23.373 -9.867 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -10.183 -23.784 -10.883 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -12.015 -23.475 -9.709 1.00 0.00 O ATOM 0 H GLU A 112 -7.239 -19.770 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.070 -20.539 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.619 -20.944 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.291 -22.088 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.374 -23.476 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.640 -22.287 -8.029 1.00 0.00 H new ATOM 1675 N THR A 113 -7.433 -21.906 -6.211 1.00 0.00 N ATOM 1676 CA THR A 113 -6.496 -22.719 -5.446 1.00 0.00 C ATOM 1677 C THR A 113 -6.437 -24.144 -5.985 1.00 0.00 C ATOM 1678 O THR A 113 -7.250 -24.536 -6.822 1.00 0.00 O ATOM 1679 CB THR A 113 -6.878 -22.762 -3.954 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.300 -22.853 -3.815 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.370 -21.525 -3.230 1.00 0.00 C ATOM 0 H THR A 113 -8.195 -21.510 -5.660 1.00 0.00 H new ATOM 0 HA THR A 113 -5.516 -22.253 -5.549 1.00 0.00 H new ATOM 0 HB THR A 113 -6.413 -23.641 -3.507 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.632 -22.071 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.652 -21.578 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.284 -21.475 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.809 -20.634 -3.679 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.469 -24.915 -5.500 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.304 -26.297 -5.934 1.00 0.00 C ATOM 1691 C PHE A 114 -6.325 -27.206 -5.256 1.00 0.00 C ATOM 1692 O PHE A 114 -6.313 -27.369 -4.036 1.00 0.00 O ATOM 1693 CB PHE A 114 -3.887 -26.785 -5.626 1.00 0.00 C ATOM 1694 CG PHE A 114 -2.812 -25.908 -6.202 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -2.564 -25.899 -7.566 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -2.050 -25.093 -5.381 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -1.577 -25.093 -8.100 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -1.061 -24.284 -5.910 1.00 0.00 C ATOM 1699 CZ PHE A 114 -0.824 -24.285 -7.270 1.00 0.00 C ATOM 0 H PHE A 114 -4.788 -24.606 -4.807 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.468 -26.335 -7.011 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -3.758 -26.842 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -3.767 -27.796 -6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.149 -26.530 -8.219 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -2.230 -25.089 -4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -1.394 -25.095 -9.164 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.475 -23.652 -5.260 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.051 -23.655 -7.685 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.208 -27.795 -6.057 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.237 -28.686 -5.534 1.00 0.00 C ATOM 1711 C GLU A 115 -7.718 -29.471 -4.333 1.00 0.00 C ATOM 1712 O GLU A 115 -8.444 -29.700 -3.366 1.00 0.00 O ATOM 1713 CB GLU A 115 -8.709 -29.651 -6.623 1.00 0.00 C ATOM 1714 CG GLU A 115 -10.175 -30.031 -6.507 1.00 0.00 C ATOM 1715 CD GLU A 115 -10.454 -31.440 -6.992 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -10.079 -32.396 -6.282 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -11.046 -31.587 -8.082 1.00 0.00 O ATOM 0 H GLU A 115 -7.231 -27.671 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.080 -28.075 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.536 -29.197 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.103 -30.556 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.488 -29.940 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.775 -29.327 -7.083 1.00 0.00 H new ATOM 1724 N SER A 116 -6.456 -29.883 -4.403 1.00 0.00 N ATOM 1725 CA SER A 116 -5.840 -30.646 -3.324 1.00 0.00 C ATOM 1726 C SER A 116 -4.447 -30.110 -3.006 1.00 0.00 C ATOM 1727 O SER A 116 -3.831 -29.427 -3.824 1.00 0.00 O ATOM 1728 CB SER A 116 -5.755 -32.126 -3.703 1.00 0.00 C ATOM 1729 OG SER A 116 -5.682 -32.944 -2.548 1.00 0.00 O ATOM 0 H SER A 116 -5.840 -29.701 -5.196 1.00 0.00 H new ATOM 0 HA SER A 116 -6.462 -30.540 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.627 -32.404 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.878 -32.295 -4.328 1.00 0.00 H new ATOM 0 HG SER A 116 -5.630 -33.885 -2.816 1.00 0.00 H new