USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 812 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 87 THR OG1 : rot 90:sc= -0.462 USER MOD Set 1.2: A 101 SER OG : rot 100:sc= -0.13 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.884 F(o=-1.5,f=-0.88) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= -0.0216 (180deg=-0.103) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0.00195 (180deg=-0.141) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -128:sc= -0.1 (180deg=-1.12) USER MOD Single : A 50 CYS SG : rot -113:sc= -1.26! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -34:sc= -2.07 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00729) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -117:sc= -1.98! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 79 SER OG : rot -30:sc= 0.43 USER MOD Single : A 81 ASN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -8.68! C(o=-8.7!,f=-9.1!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0684 USER MOD Single : A 104 SER OG : rot 180:sc= -0.222 USER MOD Single : A 108 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.8!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 115 MET CE :methyl -169:sc= -1.17 (180deg=-1.71) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.980 4.518 -6.112 1.00 0.00 N ATOM 177 CA LYS A 15 -12.643 3.240 -5.877 1.00 0.00 C ATOM 178 C LYS A 15 -12.055 2.151 -6.768 1.00 0.00 C ATOM 179 O LYS A 15 -11.292 2.435 -7.691 1.00 0.00 O ATOM 180 CB LYS A 15 -14.147 3.368 -6.134 1.00 0.00 C ATOM 181 CG LYS A 15 -14.895 4.082 -5.022 1.00 0.00 C ATOM 182 CD LYS A 15 -15.008 3.215 -3.780 1.00 0.00 C ATOM 183 CE LYS A 15 -15.250 4.054 -2.534 1.00 0.00 C ATOM 184 NZ LYS A 15 -16.653 4.547 -2.462 1.00 0.00 N ATOM 0 HA LYS A 15 -12.481 2.960 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.303 3.906 -7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.571 2.372 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.380 5.010 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.892 4.354 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.824 2.503 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.094 2.634 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.028 3.460 -1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.566 4.903 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.778 5.114 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.858 5.135 -3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.305 3.737 -2.441 1.00 0.00 H new ATOM 198 N ARG A 16 -12.417 0.903 -6.486 1.00 0.00 N ATOM 199 CA ARG A 16 -11.925 -0.229 -7.262 1.00 0.00 C ATOM 200 C ARG A 16 -13.084 -1.052 -7.818 1.00 0.00 C ATOM 201 O ARG A 16 -14.127 -1.183 -7.179 1.00 0.00 O ATOM 202 CB ARG A 16 -11.026 -1.114 -6.398 1.00 0.00 C ATOM 203 CG ARG A 16 -10.607 -2.407 -7.080 1.00 0.00 C ATOM 204 CD ARG A 16 -10.290 -3.494 -6.065 1.00 0.00 C ATOM 205 NE ARG A 16 -10.534 -4.831 -6.601 1.00 0.00 N ATOM 206 CZ ARG A 16 -10.263 -5.949 -5.937 1.00 0.00 C ATOM 207 NH1 ARG A 16 -9.742 -5.892 -4.719 1.00 0.00 N ATOM 208 NH2 ARG A 16 -10.514 -7.128 -6.492 1.00 0.00 N ATOM 0 H ARG A 16 -13.049 0.651 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.345 0.161 -8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.133 -0.552 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.549 -1.354 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.405 -2.746 -7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.732 -2.224 -7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.247 -3.411 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.897 -3.345 -5.172 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.934 -4.910 -7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.548 -4.988 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.535 -6.753 -4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.915 -7.176 -7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.306 -7.986 -5.982 1.00 0.00 H new ATOM 222 N ASN A 17 -12.893 -1.603 -9.012 1.00 0.00 N ATOM 223 CA ASN A 17 -13.922 -2.412 -9.654 1.00 0.00 C ATOM 224 C ASN A 17 -13.700 -3.895 -9.377 1.00 0.00 C ATOM 225 O ASN A 17 -12.570 -4.383 -9.341 1.00 0.00 O ATOM 226 CB ASN A 17 -13.931 -2.159 -11.163 1.00 0.00 C ATOM 227 CG ASN A 17 -14.309 -0.731 -11.508 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.486 -0.411 -11.673 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.308 0.135 -11.619 1.00 0.00 N ATOM 0 H ASN A 17 -12.035 -1.504 -9.555 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.887 -2.124 -9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.945 -2.380 -11.571 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.634 -2.843 -11.639 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.500 1.110 -11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.347 -0.175 -11.474 1.00 0.00 H new ATOM 236 N PRO A 18 -14.803 -4.632 -9.177 1.00 0.00 N ATOM 237 CA PRO A 18 -14.755 -6.071 -8.901 1.00 0.00 C ATOM 238 C PRO A 18 -14.317 -6.880 -10.117 1.00 0.00 C ATOM 239 O PRO A 18 -13.549 -7.833 -9.995 1.00 0.00 O ATOM 240 CB PRO A 18 -16.200 -6.408 -8.526 1.00 0.00 C ATOM 241 CG PRO A 18 -17.021 -5.365 -9.202 1.00 0.00 C ATOM 242 CD PRO A 18 -16.182 -4.116 -9.205 1.00 0.00 C ATOM 0 HA PRO A 18 -14.031 -6.313 -8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.474 -7.408 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.344 -6.386 -7.446 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.276 -5.667 -10.218 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.960 -5.203 -8.673 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.366 -3.510 -10.092 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.394 -3.488 -8.340 1.00 0.00 H new ATOM 250 N ASN A 19 -14.810 -6.492 -11.288 1.00 0.00 N ATOM 251 CA ASN A 19 -14.469 -7.183 -12.527 1.00 0.00 C ATOM 252 C ASN A 19 -12.964 -7.141 -12.777 1.00 0.00 C ATOM 253 O ASN A 19 -12.365 -8.133 -13.189 1.00 0.00 O ATOM 254 CB ASN A 19 -15.211 -6.553 -13.707 1.00 0.00 C ATOM 255 CG ASN A 19 -14.477 -5.355 -14.279 1.00 0.00 C ATOM 256 OD1 ASN A 19 -14.713 -4.184 -13.698 1.00 0.00 O flip ATOM 257 ND2 ASN A 19 -13.707 -5.481 -15.231 1.00 0.00 N flip ATOM 0 H ASN A 19 -15.446 -5.704 -11.406 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.774 -8.225 -12.429 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -15.345 -7.300 -14.489 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -16.206 -6.246 -13.385 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.556 -6.400 -15.646 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.220 -4.666 -15.604 1.00 0.00 H new ATOM 264 N ALA A 20 -12.360 -5.984 -12.523 1.00 0.00 N ATOM 265 CA ALA A 20 -10.926 -5.813 -12.717 1.00 0.00 C ATOM 266 C ALA A 20 -10.143 -6.943 -12.056 1.00 0.00 C ATOM 267 O ALA A 20 -10.299 -7.225 -10.867 1.00 0.00 O ATOM 268 CB ALA A 20 -10.476 -4.466 -12.171 1.00 0.00 C ATOM 0 H ALA A 20 -12.842 -5.152 -12.183 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.723 -5.844 -13.788 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.403 -4.352 -12.323 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.003 -3.667 -12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.699 -4.412 -11.106 1.00 0.00 H new ATOM 274 N PRO A 21 -9.282 -7.606 -12.841 1.00 0.00 N ATOM 275 CA PRO A 21 -8.458 -8.716 -12.352 1.00 0.00 C ATOM 276 C PRO A 21 -7.373 -8.250 -11.387 1.00 0.00 C ATOM 277 O PRO A 21 -6.644 -7.299 -11.669 1.00 0.00 O ATOM 278 CB PRO A 21 -7.832 -9.282 -13.629 1.00 0.00 C ATOM 279 CG PRO A 21 -7.823 -8.140 -14.585 1.00 0.00 C ATOM 280 CD PRO A 21 -9.045 -7.323 -14.267 1.00 0.00 C ATOM 0 HA PRO A 21 -9.044 -9.443 -11.790 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.823 -9.652 -13.445 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.413 -10.119 -14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.916 -7.545 -14.474 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.848 -8.494 -15.616 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.875 -6.261 -14.443 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.896 -7.616 -14.882 1.00 0.00 H new ATOM 288 N VAL A 22 -7.270 -8.928 -10.248 1.00 0.00 N ATOM 289 CA VAL A 22 -6.272 -8.585 -9.242 1.00 0.00 C ATOM 290 C VAL A 22 -4.861 -8.845 -9.757 1.00 0.00 C ATOM 291 O VAL A 22 -4.497 -9.981 -10.062 1.00 0.00 O ATOM 292 CB VAL A 22 -6.487 -9.384 -7.943 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.367 -9.105 -6.952 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.842 -9.055 -7.334 1.00 0.00 C ATOM 0 H VAL A 22 -7.866 -9.718 -9.999 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.389 -7.522 -9.030 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.470 -10.447 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.536 -9.678 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.412 -9.395 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.349 -8.042 -6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.978 -9.628 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.890 -7.990 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.631 -9.311 -8.042 1.00 0.00 H new ATOM 304 N THR A 23 -4.066 -7.783 -9.852 1.00 0.00 N ATOM 305 CA THR A 23 -2.694 -7.894 -10.331 1.00 0.00 C ATOM 306 C THR A 23 -1.845 -8.727 -9.377 1.00 0.00 C ATOM 307 O THR A 23 -1.272 -9.745 -9.766 1.00 0.00 O ATOM 308 CB THR A 23 -2.044 -6.509 -10.502 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.904 -5.655 -11.265 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.694 -6.626 -11.193 1.00 0.00 C ATOM 0 H THR A 23 -4.350 -6.835 -9.603 1.00 0.00 H new ATOM 0 HA THR A 23 -2.737 -8.388 -11.302 1.00 0.00 H new ATOM 0 HB THR A 23 -1.891 -6.079 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.484 -4.775 -11.368 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.254 -5.635 -11.303 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.032 -7.252 -10.595 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.827 -7.075 -12.177 1.00 0.00 H new ATOM 318 N LYS A 24 -1.769 -8.289 -8.125 1.00 0.00 N ATOM 319 CA LYS A 24 -0.992 -8.995 -7.113 1.00 0.00 C ATOM 320 C LYS A 24 -1.613 -8.822 -5.731 1.00 0.00 C ATOM 321 O LYS A 24 -1.988 -7.716 -5.343 1.00 0.00 O ATOM 322 CB LYS A 24 0.452 -8.486 -7.103 1.00 0.00 C ATOM 323 CG LYS A 24 1.443 -9.480 -6.522 1.00 0.00 C ATOM 324 CD LYS A 24 2.790 -8.831 -6.254 1.00 0.00 C ATOM 325 CE LYS A 24 3.647 -9.686 -5.333 1.00 0.00 C ATOM 326 NZ LYS A 24 4.077 -10.951 -5.991 1.00 0.00 N ATOM 0 H LYS A 24 -2.236 -7.448 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.995 -10.056 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.750 -8.243 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.498 -7.561 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.045 -9.892 -5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.571 -10.314 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.313 -8.673 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.639 -7.849 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.526 -9.120 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.086 -9.920 -4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.740 -11.457 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.245 -11.549 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.546 -10.731 -6.893 1.00 0.00 H new ATOM 340 N ALA A 25 -1.717 -9.922 -4.992 1.00 0.00 N ATOM 341 CA ALA A 25 -2.289 -9.891 -3.652 1.00 0.00 C ATOM 342 C ALA A 25 -1.347 -10.531 -2.637 1.00 0.00 C ATOM 343 O ALA A 25 -0.585 -11.438 -2.969 1.00 0.00 O ATOM 344 CB ALA A 25 -3.639 -10.593 -3.638 1.00 0.00 C ATOM 0 H ALA A 25 -1.412 -10.846 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.431 -8.848 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.055 -10.562 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.318 -10.090 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.513 -11.631 -3.947 1.00 0.00 H new ATOM 350 N GLY A 26 -1.404 -10.051 -1.399 1.00 0.00 N ATOM 351 CA GLY A 26 -0.550 -10.588 -0.355 1.00 0.00 C ATOM 352 C GLY A 26 -0.615 -9.775 0.923 1.00 0.00 C ATOM 353 O GLY A 26 -0.699 -8.547 0.882 1.00 0.00 O ATOM 0 H GLY A 26 -2.026 -9.300 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.843 -11.616 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.480 -10.617 -0.711 1.00 0.00 H new ATOM 357 N TRP A 27 -0.578 -10.460 2.060 1.00 0.00 N ATOM 358 CA TRP A 27 -0.635 -9.793 3.356 1.00 0.00 C ATOM 359 C TRP A 27 0.657 -9.035 3.635 1.00 0.00 C ATOM 360 O TRP A 27 1.688 -9.636 3.940 1.00 0.00 O ATOM 361 CB TRP A 27 -0.893 -10.813 4.466 1.00 0.00 C ATOM 362 CG TRP A 27 -2.339 -11.180 4.611 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.994 -12.196 3.976 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.308 -10.534 5.444 1.00 0.00 C ATOM 365 NE1 TRP A 27 -4.312 -12.220 4.363 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.530 -11.211 5.264 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.262 -9.451 6.325 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.693 -10.838 5.932 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.417 -9.081 6.988 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.619 -9.773 6.789 1.00 0.00 C ATOM 0 H TRP A 27 -0.509 -11.476 2.111 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.456 -9.077 3.333 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.315 -11.715 4.262 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.531 -10.409 5.412 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.542 -12.880 3.273 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -5.015 -12.882 4.033 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.340 -8.912 6.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.621 -11.370 5.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.393 -8.245 7.671 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.505 -9.460 7.322 1.00 0.00 H new ATOM 381 N LEU A 28 0.596 -7.712 3.530 1.00 0.00 N ATOM 382 CA LEU A 28 1.763 -6.870 3.772 1.00 0.00 C ATOM 383 C LEU A 28 1.647 -6.150 5.112 1.00 0.00 C ATOM 384 O LEU A 28 0.623 -6.240 5.790 1.00 0.00 O ATOM 385 CB LEU A 28 1.924 -5.850 2.644 1.00 0.00 C ATOM 386 CG LEU A 28 2.503 -6.385 1.333 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.391 -5.340 0.234 1.00 0.00 C ATOM 388 CD2 LEU A 28 3.952 -6.808 1.524 1.00 0.00 C ATOM 0 H LEU A 28 -0.249 -7.199 3.279 1.00 0.00 H new ATOM 0 HA LEU A 28 2.643 -7.512 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.948 -5.412 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.566 -5.044 2.999 1.00 0.00 H new ATOM 0 HG LEU A 28 1.926 -7.260 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.808 -5.739 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.342 -5.086 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.942 -4.446 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.348 -7.186 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.542 -5.950 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.006 -7.591 2.280 1.00 0.00 H new ATOM 400 N PHE A 29 2.701 -5.433 5.486 1.00 0.00 N ATOM 401 CA PHE A 29 2.717 -4.696 6.744 1.00 0.00 C ATOM 402 C PHE A 29 3.047 -3.225 6.508 1.00 0.00 C ATOM 403 O PHE A 29 4.184 -2.875 6.189 1.00 0.00 O ATOM 404 CB PHE A 29 3.734 -5.310 7.707 1.00 0.00 C ATOM 405 CG PHE A 29 3.699 -6.811 7.738 1.00 0.00 C ATOM 406 CD1 PHE A 29 4.152 -7.551 6.658 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.213 -7.483 8.848 1.00 0.00 C ATOM 408 CE1 PHE A 29 4.122 -8.932 6.683 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.181 -8.865 8.880 1.00 0.00 C ATOM 410 CZ PHE A 29 3.634 -9.590 7.796 1.00 0.00 C ATOM 0 H PHE A 29 3.556 -5.347 4.936 1.00 0.00 H new ATOM 0 HA PHE A 29 1.723 -4.761 7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.734 -4.984 7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.548 -4.929 8.711 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.533 -7.042 5.785 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.855 -6.921 9.698 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.479 -9.496 5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.802 -9.377 9.752 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.607 -10.669 7.818 1.00 0.00 H new ATOM 420 N LYS A 30 2.045 -2.367 6.665 1.00 0.00 N ATOM 421 CA LYS A 30 2.227 -0.933 6.470 1.00 0.00 C ATOM 422 C LYS A 30 2.550 -0.241 7.791 1.00 0.00 C ATOM 423 O LYS A 30 1.719 -0.197 8.698 1.00 0.00 O ATOM 424 CB LYS A 30 0.968 -0.318 5.855 1.00 0.00 C ATOM 425 CG LYS A 30 1.200 1.049 5.234 1.00 0.00 C ATOM 426 CD LYS A 30 -0.067 1.596 4.598 1.00 0.00 C ATOM 427 CE LYS A 30 -0.945 2.298 5.622 1.00 0.00 C ATOM 428 NZ LYS A 30 -0.322 3.558 6.116 1.00 0.00 N ATOM 0 H LYS A 30 1.098 -2.640 6.927 1.00 0.00 H new ATOM 0 HA LYS A 30 3.066 -0.787 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.579 -0.993 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.202 -0.232 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.553 1.742 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.985 0.979 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.196 2.294 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.625 0.781 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.914 2.522 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.128 1.629 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.005 4.075 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.521 3.330 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.047 4.150 5.306 1.00 0.00 H new ATOM 442 N GLN A 31 3.761 0.298 7.890 1.00 0.00 N ATOM 443 CA GLN A 31 4.192 0.989 9.100 1.00 0.00 C ATOM 444 C GLN A 31 3.102 1.925 9.610 1.00 0.00 C ATOM 445 O GLN A 31 2.409 2.573 8.825 1.00 0.00 O ATOM 446 CB GLN A 31 5.475 1.777 8.833 1.00 0.00 C ATOM 447 CG GLN A 31 6.304 2.031 10.081 1.00 0.00 C ATOM 448 CD GLN A 31 7.175 3.267 9.962 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.721 4.386 10.203 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.434 3.070 9.589 1.00 0.00 N ATOM 0 H GLN A 31 4.460 0.270 7.148 1.00 0.00 H new ATOM 0 HA GLN A 31 4.388 0.239 9.866 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.081 1.233 8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.216 2.733 8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.639 2.141 10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.935 1.164 10.276 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.768 2.125 9.399 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.067 3.864 9.492 1.00 0.00 H new ATOM 459 N ALA A 32 2.955 1.992 10.929 1.00 0.00 N ATOM 460 CA ALA A 32 1.950 2.850 11.544 1.00 0.00 C ATOM 461 C ALA A 32 1.946 4.235 10.905 1.00 0.00 C ATOM 462 O ALA A 32 2.977 4.907 10.851 1.00 0.00 O ATOM 463 CB ALA A 32 2.193 2.958 13.042 1.00 0.00 C ATOM 0 H ALA A 32 3.520 1.462 11.593 1.00 0.00 H new ATOM 0 HA ALA A 32 0.972 2.399 11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.435 3.602 13.488 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.138 1.967 13.492 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.181 3.383 13.221 1.00 0.00 H new ATOM 536 N GLN A 38 4.005 1.028 15.708 1.00 0.00 N ATOM 537 CA GLN A 38 4.006 -0.414 15.486 1.00 0.00 C ATOM 538 C GLN A 38 3.402 -0.756 14.129 1.00 0.00 C ATOM 539 O GLN A 38 2.343 -0.245 13.763 1.00 0.00 O ATOM 540 CB GLN A 38 3.229 -1.122 16.597 1.00 0.00 C ATOM 541 CG GLN A 38 1.722 -0.953 16.488 1.00 0.00 C ATOM 542 CD GLN A 38 0.966 -1.794 17.499 1.00 0.00 C ATOM 543 OE1 GLN A 38 1.414 -1.976 18.631 1.00 0.00 O ATOM 544 NE2 GLN A 38 -0.187 -2.312 17.094 1.00 0.00 N ATOM 0 HA GLN A 38 5.040 -0.758 15.499 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.470 -2.185 16.577 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.560 -0.739 17.562 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.467 0.097 16.631 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.401 -1.225 15.482 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.521 -2.135 16.146 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.739 -2.887 17.730 1.00 0.00 H new ATOM 553 N TRP A 39 4.082 -1.622 13.386 1.00 0.00 N ATOM 554 CA TRP A 39 3.612 -2.033 12.068 1.00 0.00 C ATOM 555 C TRP A 39 2.263 -2.738 12.166 1.00 0.00 C ATOM 556 O TRP A 39 1.982 -3.426 13.146 1.00 0.00 O ATOM 557 CB TRP A 39 4.635 -2.954 11.403 1.00 0.00 C ATOM 558 CG TRP A 39 5.962 -2.297 11.169 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.936 -2.062 12.097 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.459 -1.788 9.926 1.00 0.00 C ATOM 561 NE1 TRP A 39 8.008 -1.439 11.507 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.741 -1.260 10.175 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.947 -1.730 8.627 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.515 -0.681 9.173 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.716 -1.154 7.634 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.989 -0.636 7.910 1.00 0.00 C ATOM 0 H TRP A 39 4.960 -2.053 13.674 1.00 0.00 H new ATOM 0 HA TRP A 39 3.490 -1.138 11.458 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.779 -3.836 12.027 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.236 -3.300 10.450 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.872 -2.327 13.142 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.864 -1.155 11.983 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.968 -2.128 8.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.496 -0.281 9.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.329 -1.102 6.627 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.566 -0.193 7.111 1.00 0.00 H new ATOM 577 N ASN A 40 1.433 -2.562 11.143 1.00 0.00 N ATOM 578 CA ASN A 40 0.113 -3.182 11.115 1.00 0.00 C ATOM 579 C ASN A 40 -0.068 -4.021 9.854 1.00 0.00 C ATOM 580 O ASN A 40 -0.164 -3.488 8.748 1.00 0.00 O ATOM 581 CB ASN A 40 -0.978 -2.111 11.189 1.00 0.00 C ATOM 582 CG ASN A 40 -0.771 -1.154 12.347 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.689 0.060 12.157 1.00 0.00 O ATOM 584 ND2 ASN A 40 -0.685 -1.697 13.556 1.00 0.00 N ATOM 0 H ASN A 40 1.651 -1.996 10.323 1.00 0.00 H new ATOM 0 HA ASN A 40 0.029 -3.838 11.981 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.995 -1.549 10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.950 -2.593 11.289 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.546 -1.103 14.373 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.758 -2.708 13.667 1.00 0.00 H new ATOM 591 N LYS A 41 -0.112 -5.337 10.028 1.00 0.00 N ATOM 592 CA LYS A 41 -0.283 -6.252 8.905 1.00 0.00 C ATOM 593 C LYS A 41 -1.715 -6.210 8.381 1.00 0.00 C ATOM 594 O LYS A 41 -2.667 -6.425 9.132 1.00 0.00 O ATOM 595 CB LYS A 41 0.076 -7.679 9.324 1.00 0.00 C ATOM 596 CG LYS A 41 0.254 -8.631 8.154 1.00 0.00 C ATOM 597 CD LYS A 41 0.348 -10.075 8.618 1.00 0.00 C ATOM 598 CE LYS A 41 -1.025 -10.720 8.714 1.00 0.00 C ATOM 599 NZ LYS A 41 -1.648 -10.505 10.050 1.00 0.00 N ATOM 0 H LYS A 41 -0.032 -5.795 10.936 1.00 0.00 H new ATOM 0 HA LYS A 41 0.387 -5.935 8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.997 -7.657 9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.706 -8.064 9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.584 -8.523 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.156 -8.366 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.969 -10.641 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.838 -10.115 9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.674 -10.309 7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.938 -11.789 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.955 -11.419 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.954 -10.070 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.471 -9.876 9.952 1.00 0.00 H new ATOM 613 N ARG A 42 -1.860 -5.932 7.090 1.00 0.00 N ATOM 614 CA ARG A 42 -3.176 -5.863 6.467 1.00 0.00 C ATOM 615 C ARG A 42 -3.155 -6.498 5.079 1.00 0.00 C ATOM 616 O ARG A 42 -2.101 -6.614 4.455 1.00 0.00 O ATOM 617 CB ARG A 42 -3.640 -4.408 6.366 1.00 0.00 C ATOM 618 CG ARG A 42 -3.937 -3.769 7.713 1.00 0.00 C ATOM 619 CD ARG A 42 -5.318 -4.155 8.220 1.00 0.00 C ATOM 620 NE ARG A 42 -5.442 -3.971 9.663 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.320 -4.626 10.415 1.00 0.00 C ATOM 622 NH1 ARG A 42 -7.147 -5.503 9.863 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.372 -4.404 11.722 1.00 0.00 N ATOM 0 H ARG A 42 -1.083 -5.751 6.455 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.875 -6.419 7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.872 -3.825 5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.536 -4.363 5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.183 -4.077 8.437 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.870 -2.685 7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.072 -3.554 7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.518 -5.197 7.969 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.820 -3.303 10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.110 -5.676 8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.820 -6.004 10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.738 -3.730 12.150 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.046 -4.907 12.298 1.00 0.00 H new ATOM 637 N TRP A 43 -4.326 -6.908 4.605 1.00 0.00 N ATOM 638 CA TRP A 43 -4.442 -7.533 3.292 1.00 0.00 C ATOM 639 C TRP A 43 -4.252 -6.505 2.182 1.00 0.00 C ATOM 640 O TRP A 43 -5.081 -5.613 2.000 1.00 0.00 O ATOM 641 CB TRP A 43 -5.804 -8.214 3.147 1.00 0.00 C ATOM 642 CG TRP A 43 -5.972 -8.934 1.843 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.973 -8.757 0.932 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.113 -9.947 1.307 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.789 -9.599 -0.138 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.655 -10.339 0.067 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.939 -10.560 1.753 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -5.062 -11.316 -0.728 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.352 -11.529 0.962 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.913 -11.899 -0.267 1.00 0.00 C ATOM 0 H TRP A 43 -5.208 -6.819 5.110 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.657 -8.285 3.204 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.937 -8.922 3.965 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.589 -7.464 3.244 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.790 -8.058 1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.399 -9.663 -0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.498 -10.281 2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.494 -11.604 -1.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.445 -12.010 1.297 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.429 -12.659 -0.862 1.00 0.00 H new ATOM 661 N PHE A 44 -3.156 -6.636 1.441 1.00 0.00 N ATOM 662 CA PHE A 44 -2.858 -5.718 0.349 1.00 0.00 C ATOM 663 C PHE A 44 -3.231 -6.333 -0.997 1.00 0.00 C ATOM 664 O PHE A 44 -2.976 -7.512 -1.245 1.00 0.00 O ATOM 665 CB PHE A 44 -1.374 -5.345 0.358 1.00 0.00 C ATOM 666 CG PHE A 44 -1.068 -4.125 1.179 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.576 -3.991 2.462 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.271 -3.112 0.669 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.296 -2.870 3.219 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.012 -1.988 1.422 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.500 -1.868 2.699 1.00 0.00 C ATOM 0 H PHE A 44 -2.460 -7.369 1.577 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.453 -4.816 0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.798 -6.186 0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.044 -5.176 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.198 -4.772 2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.134 -3.202 -0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.699 -2.777 4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.633 -1.205 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.278 -0.992 3.290 1.00 0.00 H new ATOM 681 N VAL A 45 -3.836 -5.527 -1.863 1.00 0.00 N ATOM 682 CA VAL A 45 -4.244 -5.991 -3.183 1.00 0.00 C ATOM 683 C VAL A 45 -3.972 -4.933 -4.246 1.00 0.00 C ATOM 684 O VAL A 45 -4.330 -3.766 -4.082 1.00 0.00 O ATOM 685 CB VAL A 45 -5.740 -6.359 -3.212 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.133 -6.890 -4.582 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.059 -7.374 -2.125 1.00 0.00 C ATOM 0 H VAL A 45 -4.055 -4.549 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.654 -6.881 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.322 -5.458 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.193 -7.145 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.942 -6.127 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.546 -7.780 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.120 -7.623 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.469 -8.276 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.817 -6.951 -1.150 1.00 0.00 H new ATOM 697 N LEU A 46 -3.337 -5.347 -5.337 1.00 0.00 N ATOM 698 CA LEU A 46 -3.016 -4.435 -6.429 1.00 0.00 C ATOM 699 C LEU A 46 -3.975 -4.629 -7.600 1.00 0.00 C ATOM 700 O LEU A 46 -3.970 -5.672 -8.254 1.00 0.00 O ATOM 701 CB LEU A 46 -1.575 -4.651 -6.894 1.00 0.00 C ATOM 702 CG LEU A 46 -1.065 -3.689 -7.967 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.980 -2.273 -7.418 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.291 -4.142 -8.489 1.00 0.00 C ATOM 0 H LEU A 46 -3.034 -6.309 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.123 -3.415 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.919 -4.577 -6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.486 -5.669 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.772 -3.694 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.615 -1.602 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.969 -1.949 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.295 -2.252 -6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.638 -3.445 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.007 -4.167 -7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.200 -5.138 -8.922 1.00 0.00 H new ATOM 716 N VAL A 47 -4.795 -3.616 -7.860 1.00 0.00 N ATOM 717 CA VAL A 47 -5.757 -3.673 -8.954 1.00 0.00 C ATOM 718 C VAL A 47 -5.852 -2.332 -9.673 1.00 0.00 C ATOM 719 O VAL A 47 -5.916 -1.279 -9.039 1.00 0.00 O ATOM 720 CB VAL A 47 -7.157 -4.073 -8.451 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.190 -3.904 -9.554 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.147 -5.504 -7.933 1.00 0.00 C ATOM 0 H VAL A 47 -4.812 -2.746 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.399 -4.431 -9.650 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.430 -3.414 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.172 -4.191 -9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.214 -2.862 -9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.925 -4.537 -10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.144 -5.771 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.853 -6.180 -8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.437 -5.588 -7.110 1.00 0.00 H new ATOM 732 N ASP A 48 -5.861 -2.378 -11.001 1.00 0.00 N ATOM 733 CA ASP A 48 -5.950 -1.167 -11.808 1.00 0.00 C ATOM 734 C ASP A 48 -4.820 -0.201 -11.464 1.00 0.00 C ATOM 735 O ASP A 48 -5.061 0.964 -11.145 1.00 0.00 O ATOM 736 CB ASP A 48 -7.303 -0.485 -11.595 1.00 0.00 C ATOM 737 CG ASP A 48 -7.683 0.419 -12.751 1.00 0.00 C ATOM 738 OD1 ASP A 48 -8.202 -0.098 -13.762 1.00 0.00 O ATOM 739 OD2 ASP A 48 -7.462 1.644 -12.645 1.00 0.00 O ATOM 0 H ASP A 48 -5.808 -3.241 -11.541 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.856 -1.450 -12.856 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.073 -1.245 -11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.271 0.099 -10.675 1.00 0.00 H new ATOM 744 N ARG A 49 -3.587 -0.693 -11.530 1.00 0.00 N ATOM 745 CA ARG A 49 -2.421 0.126 -11.224 1.00 0.00 C ATOM 746 C ARG A 49 -2.642 0.931 -9.947 1.00 0.00 C ATOM 747 O ARG A 49 -2.163 2.059 -9.822 1.00 0.00 O ATOM 748 CB ARG A 49 -2.113 1.069 -12.388 1.00 0.00 C ATOM 749 CG ARG A 49 -1.234 0.447 -13.460 1.00 0.00 C ATOM 750 CD ARG A 49 -0.536 1.509 -14.294 1.00 0.00 C ATOM 751 NE ARG A 49 0.596 0.964 -15.039 1.00 0.00 N ATOM 752 CZ ARG A 49 1.087 1.520 -16.141 1.00 0.00 C ATOM 753 NH1 ARG A 49 0.548 2.631 -16.623 1.00 0.00 N ATOM 754 NH2 ARG A 49 2.119 0.964 -16.763 1.00 0.00 N ATOM 0 H ARG A 49 -3.370 -1.654 -11.793 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.571 -0.539 -11.071 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.051 1.391 -12.841 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.622 1.962 -12.001 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.489 -0.197 -12.993 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.841 -0.185 -14.108 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.249 1.950 -14.990 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.189 2.311 -13.643 1.00 0.00 H new ATOM 0 HE ARG A 49 1.034 0.110 -14.694 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.245 3.061 -16.148 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.927 3.056 -17.469 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.536 0.109 -16.395 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.495 1.392 -17.609 1.00 0.00 H new ATOM 768 N CYS A 50 -3.370 0.346 -9.003 1.00 0.00 N ATOM 769 CA CYS A 50 -3.657 1.010 -7.736 1.00 0.00 C ATOM 770 C CYS A 50 -3.549 0.030 -6.572 1.00 0.00 C ATOM 771 O CYS A 50 -3.795 -1.167 -6.729 1.00 0.00 O ATOM 772 CB CYS A 50 -5.053 1.632 -7.767 1.00 0.00 C ATOM 773 SG CYS A 50 -5.423 2.687 -6.345 1.00 0.00 S ATOM 0 H CYS A 50 -3.773 -0.587 -9.091 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.919 1.799 -7.592 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.157 2.220 -8.679 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.794 0.834 -7.816 1.00 0.00 H new ATOM 0 HG CYS A 50 -6.358 2.137 -5.629 1.00 0.00 H new ATOM 779 N LEU A 51 -3.178 0.545 -5.405 1.00 0.00 N ATOM 780 CA LEU A 51 -3.036 -0.285 -4.214 1.00 0.00 C ATOM 781 C LEU A 51 -4.270 -0.178 -3.324 1.00 0.00 C ATOM 782 O LEU A 51 -4.703 0.921 -2.975 1.00 0.00 O ATOM 783 CB LEU A 51 -1.789 0.126 -3.428 1.00 0.00 C ATOM 784 CG LEU A 51 -1.163 -0.956 -2.548 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.293 -0.629 -2.255 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.947 -1.113 -1.254 1.00 0.00 C ATOM 0 H LEU A 51 -2.970 1.533 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.931 -1.322 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.035 0.471 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.046 0.976 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.201 -1.902 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.722 -1.410 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.848 -0.570 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.354 0.328 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.486 -1.888 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.943 -0.169 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.975 -1.395 -1.483 1.00 0.00 H new ATOM 798 N PHE A 52 -4.832 -1.325 -2.959 1.00 0.00 N ATOM 799 CA PHE A 52 -6.016 -1.361 -2.109 1.00 0.00 C ATOM 800 C PHE A 52 -5.827 -2.339 -0.953 1.00 0.00 C ATOM 801 O PHE A 52 -5.624 -3.535 -1.165 1.00 0.00 O ATOM 802 CB PHE A 52 -7.247 -1.754 -2.929 1.00 0.00 C ATOM 803 CG PHE A 52 -7.451 -0.902 -4.149 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.551 0.475 -4.040 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.544 -1.480 -5.405 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.739 1.262 -5.161 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.732 -0.698 -6.530 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.831 0.674 -6.407 1.00 0.00 C ATOM 0 H PHE A 52 -4.486 -2.243 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.166 -0.363 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.153 -2.796 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.132 -1.687 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.481 0.940 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.469 -2.553 -5.506 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.814 2.335 -5.062 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.801 -1.160 -7.504 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.980 1.286 -7.284 1.00 0.00 H new ATOM 818 N TYR A 53 -5.895 -1.822 0.268 1.00 0.00 N ATOM 819 CA TYR A 53 -5.728 -2.648 1.458 1.00 0.00 C ATOM 820 C TYR A 53 -7.067 -2.883 2.150 1.00 0.00 C ATOM 821 O TYR A 53 -7.797 -1.939 2.452 1.00 0.00 O ATOM 822 CB TYR A 53 -4.748 -1.988 2.430 1.00 0.00 C ATOM 823 CG TYR A 53 -5.383 -0.930 3.304 1.00 0.00 C ATOM 824 CD1 TYR A 53 -6.022 -1.273 4.489 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.344 0.411 2.945 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.604 -0.310 5.291 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.921 1.381 3.741 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.550 1.016 4.913 1.00 0.00 C ATOM 829 OH TYR A 53 -7.128 1.979 5.708 1.00 0.00 O ATOM 0 H TYR A 53 -6.065 -0.835 0.460 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.326 -3.612 1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.307 -2.756 3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.934 -1.538 1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.065 -2.310 4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.854 0.700 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.098 -0.594 6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.880 2.420 3.447 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.000 2.861 5.299 1.00 0.00 H new ATOM 839 N TYR A 54 -7.383 -4.149 2.398 1.00 0.00 N ATOM 840 CA TYR A 54 -8.635 -4.511 3.053 1.00 0.00 C ATOM 841 C TYR A 54 -8.375 -5.118 4.428 1.00 0.00 C ATOM 842 O TYR A 54 -7.434 -5.889 4.612 1.00 0.00 O ATOM 843 CB TYR A 54 -9.421 -5.497 2.188 1.00 0.00 C ATOM 844 CG TYR A 54 -9.760 -4.962 0.815 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.838 -5.023 -0.223 1.00 0.00 C ATOM 846 CD2 TYR A 54 -11.001 -4.395 0.555 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.143 -4.535 -1.479 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.315 -3.905 -0.698 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.383 -3.978 -1.712 1.00 0.00 C ATOM 850 OH TYR A 54 -10.691 -3.490 -2.961 1.00 0.00 O ATOM 0 H TYR A 54 -6.789 -4.942 2.155 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.223 -3.603 3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.841 -6.413 2.079 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.344 -5.763 2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.866 -5.459 -0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.734 -4.336 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.414 -4.589 -2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.285 -3.467 -0.882 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.886 -3.110 -3.371 1.00 0.00 H new ATOM 860 N LYS A 55 -9.218 -4.764 5.392 1.00 0.00 N ATOM 861 CA LYS A 55 -9.083 -5.274 6.752 1.00 0.00 C ATOM 862 C LYS A 55 -8.703 -6.751 6.744 1.00 0.00 C ATOM 863 O LYS A 55 -7.874 -7.192 7.540 1.00 0.00 O ATOM 864 CB LYS A 55 -10.390 -5.077 7.524 1.00 0.00 C ATOM 865 CG LYS A 55 -11.632 -5.401 6.711 1.00 0.00 C ATOM 866 CD LYS A 55 -12.064 -6.845 6.904 1.00 0.00 C ATOM 867 CE LYS A 55 -13.569 -7.001 6.755 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.280 -6.778 8.045 1.00 0.00 N ATOM 0 H LYS A 55 -10.002 -4.126 5.257 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.288 -4.715 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.375 -5.706 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.449 -4.043 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.444 -4.735 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.435 -5.217 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.558 -7.478 6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.758 -7.189 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.936 -6.294 6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.796 -8.000 6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.304 -6.893 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.949 -7.469 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.085 -5.816 8.387 1.00 0.00 H new ATOM 882 N ASP A 56 -9.312 -7.509 5.839 1.00 0.00 N ATOM 883 CA ASP A 56 -9.034 -8.936 5.726 1.00 0.00 C ATOM 884 C ASP A 56 -9.102 -9.389 4.271 1.00 0.00 C ATOM 885 O ASP A 56 -9.303 -8.578 3.367 1.00 0.00 O ATOM 886 CB ASP A 56 -10.026 -9.738 6.570 1.00 0.00 C ATOM 887 CG ASP A 56 -9.430 -11.031 7.090 1.00 0.00 C ATOM 888 OD1 ASP A 56 -9.406 -12.022 6.330 1.00 0.00 O ATOM 889 OD2 ASP A 56 -8.986 -11.052 8.257 1.00 0.00 O ATOM 0 H ASP A 56 -10.001 -7.159 5.173 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.025 -9.116 6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.358 -9.130 7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.909 -9.963 5.972 1.00 0.00 H new ATOM 894 N GLU A 57 -8.932 -10.689 4.052 1.00 0.00 N ATOM 895 CA GLU A 57 -8.972 -11.249 2.707 1.00 0.00 C ATOM 896 C GLU A 57 -10.368 -11.116 2.103 1.00 0.00 C ATOM 897 O GLU A 57 -10.538 -11.167 0.885 1.00 0.00 O ATOM 898 CB GLU A 57 -8.553 -12.720 2.729 1.00 0.00 C ATOM 899 CG GLU A 57 -9.563 -13.631 3.407 1.00 0.00 C ATOM 900 CD GLU A 57 -10.713 -14.009 2.493 1.00 0.00 C ATOM 901 OE1 GLU A 57 -10.519 -13.999 1.259 1.00 0.00 O ATOM 902 OE2 GLU A 57 -11.806 -14.315 3.012 1.00 0.00 O ATOM 0 H GLU A 57 -8.765 -11.374 4.789 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.271 -10.689 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.399 -13.061 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.595 -12.809 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.060 -14.537 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.957 -13.135 4.294 1.00 0.00 H new ATOM 909 N LYS A 58 -11.364 -10.945 2.965 1.00 0.00 N ATOM 910 CA LYS A 58 -12.746 -10.804 2.520 1.00 0.00 C ATOM 911 C LYS A 58 -12.881 -9.657 1.524 1.00 0.00 C ATOM 912 O LYS A 58 -13.571 -9.781 0.512 1.00 0.00 O ATOM 913 CB LYS A 58 -13.667 -10.565 3.718 1.00 0.00 C ATOM 914 CG LYS A 58 -14.097 -11.841 4.420 1.00 0.00 C ATOM 915 CD LYS A 58 -15.324 -12.452 3.764 1.00 0.00 C ATOM 916 CE LYS A 58 -15.785 -13.701 4.499 1.00 0.00 C ATOM 917 NZ LYS A 58 -16.457 -13.371 5.786 1.00 0.00 N ATOM 0 H LYS A 58 -11.240 -10.901 3.977 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.039 -11.729 2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.157 -9.921 4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.554 -10.029 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.278 -12.560 4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.312 -11.627 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.131 -11.720 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.098 -12.701 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.471 -14.263 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.928 -14.346 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.801 -14.245 6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.780 -12.902 6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.260 -12.735 5.605 1.00 0.00 H new ATOM 931 N GLU A 59 -12.219 -8.543 1.817 1.00 0.00 N ATOM 932 CA GLU A 59 -12.266 -7.375 0.945 1.00 0.00 C ATOM 933 C GLU A 59 -13.689 -6.834 0.837 1.00 0.00 C ATOM 934 O GLU A 59 -14.189 -6.588 -0.260 1.00 0.00 O ATOM 935 CB GLU A 59 -11.737 -7.728 -0.447 1.00 0.00 C ATOM 936 CG GLU A 59 -10.310 -8.250 -0.441 1.00 0.00 C ATOM 937 CD GLU A 59 -9.914 -8.883 -1.761 1.00 0.00 C ATOM 938 OE1 GLU A 59 -9.828 -8.150 -2.768 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.691 -10.111 -1.786 1.00 0.00 O ATOM 0 H GLU A 59 -11.644 -8.424 2.651 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.633 -6.602 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.388 -8.479 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.789 -6.843 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.628 -7.430 -0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.199 -8.984 0.357 1.00 0.00 H new ATOM 946 N GLU A 60 -14.334 -6.651 1.985 1.00 0.00 N ATOM 947 CA GLU A 60 -15.700 -6.140 2.020 1.00 0.00 C ATOM 948 C GLU A 60 -15.779 -4.757 1.381 1.00 0.00 C ATOM 949 O GLU A 60 -16.517 -4.548 0.417 1.00 0.00 O ATOM 950 CB GLU A 60 -16.208 -6.078 3.462 1.00 0.00 C ATOM 951 CG GLU A 60 -16.635 -7.427 4.015 1.00 0.00 C ATOM 952 CD GLU A 60 -17.845 -7.995 3.300 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.848 -7.264 3.161 1.00 0.00 O ATOM 954 OE2 GLU A 60 -17.788 -9.169 2.878 1.00 0.00 O ATOM 0 H GLU A 60 -13.933 -6.849 2.902 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.331 -6.822 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.424 -5.666 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.052 -5.391 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.805 -8.129 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.860 -7.325 5.077 1.00 0.00 H new ATOM 961 N SER A 61 -15.015 -3.815 1.924 1.00 0.00 N ATOM 962 CA SER A 61 -15.002 -2.450 1.411 1.00 0.00 C ATOM 963 C SER A 61 -13.625 -1.817 1.586 1.00 0.00 C ATOM 964 O SER A 61 -13.080 -1.787 2.690 1.00 0.00 O ATOM 965 CB SER A 61 -16.059 -1.604 2.123 1.00 0.00 C ATOM 966 OG SER A 61 -16.551 -0.583 1.274 1.00 0.00 O ATOM 0 H SER A 61 -14.396 -3.972 2.720 1.00 0.00 H new ATOM 0 HA SER A 61 -15.234 -2.486 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.882 -2.241 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.629 -1.159 3.021 1.00 0.00 H new ATOM 0 HG SER A 61 -17.226 -0.057 1.752 1.00 0.00 H new ATOM 972 N ILE A 62 -13.068 -1.312 0.490 1.00 0.00 N ATOM 973 CA ILE A 62 -11.756 -0.679 0.522 1.00 0.00 C ATOM 974 C ILE A 62 -11.657 0.322 1.669 1.00 0.00 C ATOM 975 O ILE A 62 -12.309 1.367 1.654 1.00 0.00 O ATOM 976 CB ILE A 62 -11.447 0.043 -0.803 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.479 -0.948 -1.968 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.094 0.734 -0.726 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.771 -0.301 -3.304 1.00 0.00 C ATOM 0 H ILE A 62 -13.506 -1.329 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.025 -1.474 0.672 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.211 0.801 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.519 -1.461 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.235 -1.707 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.890 1.240 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.104 1.465 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.317 -0.007 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.778 -1.063 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.744 0.189 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.001 0.438 -3.526 1.00 0.00 H new ATOM 991 N LEU A 63 -10.835 -0.003 2.661 1.00 0.00 N ATOM 992 CA LEU A 63 -10.648 0.868 3.816 1.00 0.00 C ATOM 993 C LEU A 63 -9.970 2.172 3.409 1.00 0.00 C ATOM 994 O LEU A 63 -10.433 3.258 3.756 1.00 0.00 O ATOM 995 CB LEU A 63 -9.815 0.158 4.885 1.00 0.00 C ATOM 996 CG LEU A 63 -10.175 -1.303 5.156 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.158 -1.938 6.091 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.576 -1.407 5.740 1.00 0.00 C ATOM 0 H LEU A 63 -10.288 -0.863 2.689 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.630 1.103 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.767 0.204 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.909 0.713 5.818 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.156 -1.844 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.430 -2.978 6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.169 -1.896 5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.145 -1.396 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.816 -2.454 5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.622 -0.852 6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.296 -0.990 5.036 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.871 2.057 2.669 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.149 3.235 2.226 1.00 0.00 C ATOM 1012 C GLY A 64 -7.348 2.983 0.964 1.00 0.00 C ATOM 1013 O GLY A 64 -6.415 2.180 0.963 1.00 0.00 O ATOM 0 H GLY A 64 -8.468 1.169 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.856 4.045 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.478 3.566 3.019 1.00 0.00 H new ATOM 1017 N SER A 65 -7.713 3.669 -0.114 1.00 0.00 N ATOM 1018 CA SER A 65 -7.025 3.511 -1.390 1.00 0.00 C ATOM 1019 C SER A 65 -5.819 4.441 -1.476 1.00 0.00 C ATOM 1020 O SER A 65 -5.886 5.601 -1.068 1.00 0.00 O ATOM 1021 CB SER A 65 -7.984 3.792 -2.549 1.00 0.00 C ATOM 1022 OG SER A 65 -9.184 3.051 -2.410 1.00 0.00 O ATOM 0 H SER A 65 -8.481 4.340 -0.129 1.00 0.00 H new ATOM 0 HA SER A 65 -6.674 2.482 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.213 4.857 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.503 3.537 -3.493 1.00 0.00 H new ATOM 0 HG SER A 65 -9.273 2.428 -3.161 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.718 3.923 -2.009 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.497 4.707 -2.149 1.00 0.00 C ATOM 1030 C ILE A 66 -2.939 4.607 -3.565 1.00 0.00 C ATOM 1031 O ILE A 66 -2.488 3.550 -4.009 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.417 4.250 -1.151 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.927 4.389 0.285 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.141 5.055 -1.346 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.171 3.537 1.280 1.00 0.00 C ATOM 0 H ILE A 66 -4.646 2.965 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.761 5.743 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.193 3.200 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.857 5.434 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.982 4.118 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.387 4.720 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.771 4.910 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.350 6.112 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.587 3.686 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.262 2.487 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.119 3.823 1.279 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.968 5.733 -4.293 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.467 5.799 -5.669 1.00 0.00 C ATOM 1049 C PRO A 67 -0.949 5.676 -5.740 1.00 0.00 C ATOM 1050 O PRO A 67 -0.222 6.481 -5.156 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.913 7.184 -6.143 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.041 7.989 -4.896 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.491 7.029 -3.829 1.00 0.00 C ATOM 0 HA PRO A 67 -2.847 4.981 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.184 7.623 -6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.860 7.133 -6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.090 8.451 -4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.762 8.796 -5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.090 7.298 -2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.577 7.014 -3.734 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.475 4.664 -6.459 1.00 0.00 N ATOM 1062 CA LEU A 68 0.958 4.435 -6.607 1.00 0.00 C ATOM 1063 C LEU A 68 1.487 5.097 -7.875 1.00 0.00 C ATOM 1064 O LEU A 68 2.663 5.454 -7.958 1.00 0.00 O ATOM 1065 CB LEU A 68 1.254 2.935 -6.639 1.00 0.00 C ATOM 1066 CG LEU A 68 1.291 2.229 -5.283 1.00 0.00 C ATOM 1067 CD1 LEU A 68 1.293 0.719 -5.467 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.508 2.672 -4.483 1.00 0.00 C ATOM 0 H LEU A 68 -1.062 3.989 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 68 1.463 4.880 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.500 2.449 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.215 2.785 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 68 0.395 2.506 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.320 0.234 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.391 0.416 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.170 0.424 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.518 2.159 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.415 2.426 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.464 3.749 -4.320 1.00 0.00 H new ATOM 1080 N LEU A 69 0.611 5.259 -8.861 1.00 0.00 N ATOM 1081 CA LEU A 69 0.989 5.880 -10.125 1.00 0.00 C ATOM 1082 C LEU A 69 1.679 7.220 -9.889 1.00 0.00 C ATOM 1083 O LEU A 69 2.336 7.757 -10.781 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.244 6.078 -11.008 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.154 7.195 -12.048 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.720 6.767 -13.217 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.542 7.586 -12.533 1.00 0.00 C ATOM 0 H LEU A 69 -0.365 4.969 -8.809 1.00 0.00 H new ATOM 0 HA LEU A 69 1.689 5.216 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.448 5.142 -11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.100 6.278 -10.363 1.00 0.00 H new ATOM 0 HG LEU A 69 0.303 8.066 -11.578 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.772 7.575 -13.947 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.723 6.538 -12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.292 5.881 -13.686 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.458 8.382 -13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.027 6.721 -12.985 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.137 7.936 -11.689 1.00 0.00 H new ATOM 1099 N SER A 70 1.527 7.753 -8.681 1.00 0.00 N ATOM 1100 CA SER A 70 2.134 9.031 -8.327 1.00 0.00 C ATOM 1101 C SER A 70 3.104 8.867 -7.161 1.00 0.00 C ATOM 1102 O SER A 70 3.128 9.684 -6.240 1.00 0.00 O ATOM 1103 CB SER A 70 1.053 10.051 -7.967 1.00 0.00 C ATOM 1104 OG SER A 70 0.173 9.536 -6.983 1.00 0.00 O ATOM 0 H SER A 70 0.989 7.320 -7.931 1.00 0.00 H new ATOM 0 HA SER A 70 2.691 9.393 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.519 10.965 -7.600 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.488 10.318 -8.860 1.00 0.00 H new ATOM 0 HG SER A 70 -0.508 10.208 -6.769 1.00 0.00 H new ATOM 1110 N PHE A 71 3.902 7.806 -7.207 1.00 0.00 N ATOM 1111 CA PHE A 71 4.873 7.533 -6.154 1.00 0.00 C ATOM 1112 C PHE A 71 6.125 6.875 -6.726 1.00 0.00 C ATOM 1113 O PHE A 71 6.151 6.472 -7.889 1.00 0.00 O ATOM 1114 CB PHE A 71 4.255 6.633 -5.082 1.00 0.00 C ATOM 1115 CG PHE A 71 3.449 7.384 -4.061 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.198 7.887 -4.380 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.942 7.587 -2.782 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.455 8.579 -3.442 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.203 8.277 -1.840 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.957 8.773 -2.171 1.00 0.00 C ATOM 0 H PHE A 71 3.896 7.121 -7.962 1.00 0.00 H new ATOM 0 HA PHE A 71 5.157 8.483 -5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.617 5.893 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.050 6.086 -4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.799 7.737 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.916 7.201 -2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.482 8.968 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.599 8.428 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.377 9.312 -1.437 1.00 0.00 H new ATOM 1130 N ARG A 72 7.161 6.771 -5.901 1.00 0.00 N ATOM 1131 CA ARG A 72 8.418 6.164 -6.325 1.00 0.00 C ATOM 1132 C ARG A 72 8.861 5.088 -5.338 1.00 0.00 C ATOM 1133 O ARG A 72 9.705 5.332 -4.476 1.00 0.00 O ATOM 1134 CB ARG A 72 9.506 7.231 -6.455 1.00 0.00 C ATOM 1135 CG ARG A 72 10.572 6.891 -7.483 1.00 0.00 C ATOM 1136 CD ARG A 72 11.266 8.141 -8.001 1.00 0.00 C ATOM 1137 NE ARG A 72 10.399 8.925 -8.877 1.00 0.00 N ATOM 1138 CZ ARG A 72 10.854 9.769 -9.797 1.00 0.00 C ATOM 1139 NH1 ARG A 72 12.159 9.937 -9.960 1.00 0.00 N ATOM 1140 NH2 ARG A 72 10.002 10.446 -10.556 1.00 0.00 N ATOM 0 H ARG A 72 7.156 7.099 -4.935 1.00 0.00 H new ATOM 0 HA ARG A 72 8.258 5.698 -7.297 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.042 8.180 -6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.981 7.373 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.309 6.223 -7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.118 6.354 -8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.582 8.756 -7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.168 7.857 -8.543 1.00 0.00 H new ATOM 0 HE ARG A 72 9.389 8.819 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.817 9.418 -9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.505 10.586 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.997 10.319 -10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.352 11.094 -11.262 1.00 0.00 H new ATOM 1154 N VAL A 73 8.286 3.897 -5.471 1.00 0.00 N ATOM 1155 CA VAL A 73 8.623 2.783 -4.592 1.00 0.00 C ATOM 1156 C VAL A 73 10.118 2.488 -4.626 1.00 0.00 C ATOM 1157 O VAL A 73 10.768 2.646 -5.659 1.00 0.00 O ATOM 1158 CB VAL A 73 7.850 1.509 -4.981 1.00 0.00 C ATOM 1159 CG1 VAL A 73 8.148 0.384 -4.001 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.356 1.790 -5.043 1.00 0.00 C ATOM 0 H VAL A 73 7.585 3.679 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 73 8.338 3.079 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 73 8.179 1.194 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.593 -0.508 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.216 0.166 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.849 0.687 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.826 0.879 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.009 2.130 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.162 2.563 -5.787 1.00 0.00 H new ATOM 1170 N ALA A 74 10.657 2.059 -3.490 1.00 0.00 N ATOM 1171 CA ALA A 74 12.075 1.739 -3.390 1.00 0.00 C ATOM 1172 C ALA A 74 12.411 1.150 -2.024 1.00 0.00 C ATOM 1173 O ALA A 74 11.997 1.676 -0.992 1.00 0.00 O ATOM 1174 CB ALA A 74 12.916 2.980 -3.653 1.00 0.00 C ATOM 0 H ALA A 74 10.133 1.925 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 74 12.307 0.989 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.973 2.726 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.706 3.356 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.672 3.747 -2.918 1.00 0.00 H new ATOM 1180 N ALA A 75 13.163 0.054 -2.026 1.00 0.00 N ATOM 1181 CA ALA A 75 13.554 -0.606 -0.787 1.00 0.00 C ATOM 1182 C ALA A 75 13.965 0.413 0.271 1.00 0.00 C ATOM 1183 O ALA A 75 14.223 1.576 -0.039 1.00 0.00 O ATOM 1184 CB ALA A 75 14.688 -1.586 -1.046 1.00 0.00 C ATOM 0 H ALA A 75 13.513 -0.395 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 75 12.692 -1.156 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.970 -2.072 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.361 -2.340 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.547 -1.050 -1.450 1.00 0.00 H new ATOM 1190 N VAL A 76 14.023 -0.032 1.523 1.00 0.00 N ATOM 1191 CA VAL A 76 14.402 0.841 2.627 1.00 0.00 C ATOM 1192 C VAL A 76 15.917 0.890 2.794 1.00 0.00 C ATOM 1193 O VAL A 76 16.637 0.052 2.252 1.00 0.00 O ATOM 1194 CB VAL A 76 13.766 0.380 3.952 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.295 0.764 4.000 1.00 0.00 C ATOM 1196 CG2 VAL A 76 13.939 -1.121 4.131 1.00 0.00 C ATOM 0 H VAL A 76 13.812 -0.992 1.797 1.00 0.00 H new ATOM 0 HA VAL A 76 14.033 1.837 2.383 1.00 0.00 H new ATOM 0 HB VAL A 76 14.275 0.883 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.862 0.430 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.199 1.847 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.768 0.291 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.484 -1.430 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.456 -1.644 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.001 -1.366 4.144 1.00 0.00 H new ATOM 1206 N GLN A 77 16.393 1.877 3.546 1.00 0.00 N ATOM 1207 CA GLN A 77 17.823 2.034 3.784 1.00 0.00 C ATOM 1208 C GLN A 77 18.159 1.801 5.253 1.00 0.00 C ATOM 1209 O GLN A 77 17.305 1.901 6.134 1.00 0.00 O ATOM 1210 CB GLN A 77 18.281 3.431 3.359 1.00 0.00 C ATOM 1211 CG GLN A 77 18.563 3.551 1.870 1.00 0.00 C ATOM 1212 CD GLN A 77 19.393 4.773 1.530 1.00 0.00 C ATOM 1213 OE1 GLN A 77 19.527 5.691 2.339 1.00 0.00 O ATOM 1214 NE2 GLN A 77 19.955 4.792 0.327 1.00 0.00 N ATOM 0 H GLN A 77 15.810 2.580 4.001 1.00 0.00 H new ATOM 0 HA GLN A 77 18.350 1.289 3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.515 4.155 3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.182 3.693 3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.084 2.656 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.619 3.596 1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 77 19.818 4.009 -0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 77 20.524 5.589 0.042 1.00 0.00 H new ATOM 1223 N PRO A 78 19.434 1.483 5.525 1.00 0.00 N ATOM 1224 CA PRO A 78 19.913 1.230 6.887 1.00 0.00 C ATOM 1225 C PRO A 78 19.945 2.496 7.736 1.00 0.00 C ATOM 1226 O PRO A 78 20.349 2.466 8.898 1.00 0.00 O ATOM 1227 CB PRO A 78 21.331 0.695 6.671 1.00 0.00 C ATOM 1228 CG PRO A 78 21.753 1.261 5.359 1.00 0.00 C ATOM 1229 CD PRO A 78 20.505 1.347 4.524 1.00 0.00 C ATOM 0 HA PRO A 78 19.261 0.543 7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.000 1.011 7.472 1.00 0.00 H new ATOM 0 HB3 PRO A 78 21.345 -0.395 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.206 2.244 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.499 0.625 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.533 2.200 3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.370 0.457 3.910 1.00 0.00 H new ATOM 1237 N SER A 79 19.516 3.608 7.147 1.00 0.00 N ATOM 1238 CA SER A 79 19.499 4.886 7.849 1.00 0.00 C ATOM 1239 C SER A 79 18.069 5.382 8.041 1.00 0.00 C ATOM 1240 O SER A 79 17.835 6.400 8.692 1.00 0.00 O ATOM 1241 CB SER A 79 20.312 5.927 7.076 1.00 0.00 C ATOM 1242 OG SER A 79 20.253 7.193 7.710 1.00 0.00 O ATOM 0 H SER A 79 19.176 3.650 6.186 1.00 0.00 H new ATOM 0 HA SER A 79 19.949 4.739 8.831 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.350 5.601 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.931 6.008 6.058 1.00 0.00 H new ATOM 0 HG SER A 79 19.395 7.287 8.174 1.00 0.00 H new ATOM 1248 N ASP A 80 17.116 4.653 7.471 1.00 0.00 N ATOM 1249 CA ASP A 80 15.708 5.016 7.580 1.00 0.00 C ATOM 1250 C ASP A 80 15.111 4.493 8.883 1.00 0.00 C ATOM 1251 O ASP A 80 13.893 4.393 9.022 1.00 0.00 O ATOM 1252 CB ASP A 80 14.923 4.465 6.388 1.00 0.00 C ATOM 1253 CG ASP A 80 14.882 5.435 5.223 1.00 0.00 C ATOM 1254 OD1 ASP A 80 14.206 6.478 5.344 1.00 0.00 O ATOM 1255 OD2 ASP A 80 15.525 5.151 4.191 1.00 0.00 O ATOM 0 H ASP A 80 17.293 3.807 6.929 1.00 0.00 H new ATOM 0 HA ASP A 80 15.638 6.104 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.374 3.528 6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.905 4.236 6.702 1.00 0.00 H new ATOM 1260 N ASN A 81 15.978 4.161 9.833 1.00 0.00 N ATOM 1261 CA ASN A 81 15.536 3.647 11.125 1.00 0.00 C ATOM 1262 C ASN A 81 14.578 2.473 10.944 1.00 0.00 C ATOM 1263 O ASN A 81 13.655 2.285 11.738 1.00 0.00 O ATOM 1264 CB ASN A 81 14.858 4.754 11.933 1.00 0.00 C ATOM 1265 CG ASN A 81 15.806 5.890 12.267 1.00 0.00 C ATOM 1266 OD1 ASN A 81 15.563 7.042 11.907 1.00 0.00 O ATOM 1267 ND2 ASN A 81 16.893 5.569 12.959 1.00 0.00 N ATOM 0 H ASN A 81 16.990 4.238 9.733 1.00 0.00 H new ATOM 0 HA ASN A 81 16.413 3.296 11.668 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.011 5.145 11.369 1.00 0.00 H new ATOM 0 HB3 ASN A 81 14.459 4.334 12.856 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.567 6.291 13.213 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.054 4.601 13.236 1.00 0.00 H new ATOM 1274 N ILE A 82 14.803 1.689 9.896 1.00 0.00 N ATOM 1275 CA ILE A 82 13.961 0.533 9.612 1.00 0.00 C ATOM 1276 C ILE A 82 14.596 -0.751 10.134 1.00 0.00 C ATOM 1277 O ILE A 82 15.411 -1.374 9.453 1.00 0.00 O ATOM 1278 CB ILE A 82 13.697 0.385 8.102 1.00 0.00 C ATOM 1279 CG1 ILE A 82 13.017 1.642 7.556 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.845 -0.845 7.831 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.802 2.066 8.352 1.00 0.00 C ATOM 0 H ILE A 82 15.561 1.833 9.229 1.00 0.00 H new ATOM 0 HA ILE A 82 13.013 0.701 10.123 1.00 0.00 H new ATOM 0 HB ILE A 82 14.652 0.260 7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.738 2.460 7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.720 1.465 6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.667 -0.936 6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.365 -1.734 8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.891 -0.749 8.350 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.371 2.963 7.908 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.063 1.265 8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 82 12.096 2.275 9.381 1.00 0.00 H new ATOM 1293 N SER A 83 14.216 -1.143 11.346 1.00 0.00 N ATOM 1294 CA SER A 83 14.750 -2.353 11.961 1.00 0.00 C ATOM 1295 C SER A 83 14.649 -3.538 11.005 1.00 0.00 C ATOM 1296 O SER A 83 15.556 -4.368 10.931 1.00 0.00 O ATOM 1297 CB SER A 83 14.000 -2.665 13.258 1.00 0.00 C ATOM 1298 OG SER A 83 12.615 -2.840 13.017 1.00 0.00 O ATOM 0 H SER A 83 13.540 -0.640 11.922 1.00 0.00 H new ATOM 0 HA SER A 83 15.802 -2.181 12.190 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.410 -3.568 13.711 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.149 -1.855 13.972 1.00 0.00 H new ATOM 0 HG SER A 83 12.159 -3.040 13.861 1.00 0.00 H new ATOM 1304 N ARG A 84 13.541 -3.609 10.275 1.00 0.00 N ATOM 1305 CA ARG A 84 13.321 -4.692 9.324 1.00 0.00 C ATOM 1306 C ARG A 84 14.364 -4.659 8.211 1.00 0.00 C ATOM 1307 O ARG A 84 15.265 -3.819 8.214 1.00 0.00 O ATOM 1308 CB ARG A 84 11.917 -4.594 8.724 1.00 0.00 C ATOM 1309 CG ARG A 84 10.805 -4.762 9.746 1.00 0.00 C ATOM 1310 CD ARG A 84 9.562 -3.979 9.352 1.00 0.00 C ATOM 1311 NE ARG A 84 8.451 -4.216 10.269 1.00 0.00 N ATOM 1312 CZ ARG A 84 7.762 -5.351 10.310 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.068 -6.347 9.490 1.00 0.00 N ATOM 1314 NH2 ARG A 84 6.764 -5.491 11.173 1.00 0.00 N ATOM 0 H ARG A 84 12.782 -2.930 10.324 1.00 0.00 H new ATOM 0 HA ARG A 84 13.416 -5.637 9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.807 -3.626 8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.807 -5.355 7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.555 -5.819 9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.153 -4.426 10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.795 -2.914 9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.263 -4.258 8.341 1.00 0.00 H new ATOM 0 HE ARG A 84 8.190 -3.470 10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.834 -6.243 8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.537 -7.217 9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.526 -4.727 11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.235 -6.363 11.204 1.00 0.00 H new ATOM 1328 N LYS A 85 14.237 -5.579 7.261 1.00 0.00 N ATOM 1329 CA LYS A 85 15.168 -5.657 6.141 1.00 0.00 C ATOM 1330 C LYS A 85 14.421 -5.648 4.812 1.00 0.00 C ATOM 1331 O LYS A 85 14.615 -4.757 3.985 1.00 0.00 O ATOM 1332 CB LYS A 85 16.024 -6.921 6.250 1.00 0.00 C ATOM 1333 CG LYS A 85 17.102 -6.836 7.316 1.00 0.00 C ATOM 1334 CD LYS A 85 18.011 -8.053 7.289 1.00 0.00 C ATOM 1335 CE LYS A 85 18.939 -8.083 8.494 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.952 -9.169 8.386 1.00 0.00 N ATOM 0 H LYS A 85 13.498 -6.282 7.244 1.00 0.00 H new ATOM 0 HA LYS A 85 15.817 -4.782 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.376 -7.770 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.493 -7.116 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.695 -5.934 7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.637 -6.750 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.406 -8.960 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.602 -8.047 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.445 -7.122 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.352 -8.223 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.565 -9.157 9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.470 -10.088 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.529 -9.022 7.534 1.00 0.00 H new ATOM 1350 N HIS A 86 13.565 -6.646 4.612 1.00 0.00 N ATOM 1351 CA HIS A 86 12.787 -6.751 3.383 1.00 0.00 C ATOM 1352 C HIS A 86 11.607 -5.784 3.402 1.00 0.00 C ATOM 1353 O HIS A 86 10.451 -6.198 3.494 1.00 0.00 O ATOM 1354 CB HIS A 86 12.284 -8.183 3.194 1.00 0.00 C ATOM 1355 CG HIS A 86 13.184 -9.218 3.797 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.379 -9.601 3.226 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.058 -9.950 4.929 1.00 0.00 C ATOM 1358 CE1 HIS A 86 14.948 -10.525 3.979 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.167 -10.754 5.019 1.00 0.00 N ATOM 0 H HIS A 86 13.393 -7.393 5.285 1.00 0.00 H new ATOM 0 HA HIS A 86 13.436 -6.488 2.548 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.292 -8.273 3.638 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.176 -8.384 2.128 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.238 -9.909 5.630 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.892 -11.011 3.778 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.357 -11.420 5.768 1.00 0.00 H new ATOM 1368 N THR A 87 11.906 -4.491 3.315 1.00 0.00 N ATOM 1369 CA THR A 87 10.872 -3.465 3.324 1.00 0.00 C ATOM 1370 C THR A 87 11.079 -2.465 2.192 1.00 0.00 C ATOM 1371 O THR A 87 12.192 -2.300 1.692 1.00 0.00 O ATOM 1372 CB THR A 87 10.844 -2.707 4.664 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.557 -3.614 5.734 1.00 0.00 O ATOM 1374 CG2 THR A 87 9.802 -1.599 4.638 1.00 0.00 C ATOM 0 H THR A 87 12.857 -4.130 3.237 1.00 0.00 H new ATOM 0 HA THR A 87 9.919 -3.976 3.184 1.00 0.00 H new ATOM 0 HB THR A 87 11.824 -2.258 4.822 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.395 -3.981 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.801 -1.078 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.040 -0.894 3.841 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.817 -2.030 4.458 1.00 0.00 H new ATOM 1382 N PHE A 88 10.001 -1.799 1.792 1.00 0.00 N ATOM 1383 CA PHE A 88 10.065 -0.815 0.718 1.00 0.00 C ATOM 1384 C PHE A 88 9.255 0.429 1.071 1.00 0.00 C ATOM 1385 O PHE A 88 8.105 0.335 1.500 1.00 0.00 O ATOM 1386 CB PHE A 88 9.547 -1.420 -0.589 1.00 0.00 C ATOM 1387 CG PHE A 88 8.287 -2.221 -0.420 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.293 -3.403 0.302 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.096 -1.791 -0.985 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.135 -4.142 0.458 1.00 0.00 C ATOM 1391 CE2 PHE A 88 5.936 -2.526 -0.832 1.00 0.00 C ATOM 1392 CZ PHE A 88 5.955 -3.702 -0.109 1.00 0.00 C ATOM 0 H PHE A 88 9.072 -1.923 2.196 1.00 0.00 H new ATOM 0 HA PHE A 88 11.107 -0.524 0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.365 -0.618 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.320 -2.059 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.213 -3.751 0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.075 -0.871 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.153 -5.062 1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.015 -2.181 -1.278 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.049 -4.277 0.013 1.00 0.00 H new ATOM 1402 N LYS A 89 9.865 1.595 0.889 1.00 0.00 N ATOM 1403 CA LYS A 89 9.203 2.860 1.187 1.00 0.00 C ATOM 1404 C LYS A 89 8.783 3.570 -0.096 1.00 0.00 C ATOM 1405 O LYS A 89 9.571 3.699 -1.032 1.00 0.00 O ATOM 1406 CB LYS A 89 10.130 3.764 2.003 1.00 0.00 C ATOM 1407 CG LYS A 89 11.589 3.672 1.588 1.00 0.00 C ATOM 1408 CD LYS A 89 12.320 4.982 1.829 1.00 0.00 C ATOM 1409 CE LYS A 89 13.527 5.123 0.913 1.00 0.00 C ATOM 1410 NZ LYS A 89 13.172 5.781 -0.374 1.00 0.00 N ATOM 0 H LYS A 89 10.817 1.691 0.536 1.00 0.00 H new ATOM 0 HA LYS A 89 8.308 2.645 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.797 4.797 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.044 3.502 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.078 2.873 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.652 3.408 0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.638 5.816 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.643 5.034 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.300 5.704 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.948 4.138 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.021 5.859 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.453 5.214 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.794 6.731 -0.185 1.00 0.00 H new ATOM 1424 N ALA A 90 7.536 4.029 -0.131 1.00 0.00 N ATOM 1425 CA ALA A 90 7.013 4.729 -1.298 1.00 0.00 C ATOM 1426 C ALA A 90 6.767 6.202 -0.990 1.00 0.00 C ATOM 1427 O ALA A 90 6.249 6.545 0.072 1.00 0.00 O ATOM 1428 CB ALA A 90 5.730 4.068 -1.779 1.00 0.00 C ATOM 0 H ALA A 90 6.870 3.929 0.635 1.00 0.00 H new ATOM 0 HA ALA A 90 7.759 4.670 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.351 4.601 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.933 3.031 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.985 4.097 -0.984 1.00 0.00 H new ATOM 1434 N GLU A 91 7.144 7.069 -1.925 1.00 0.00 N ATOM 1435 CA GLU A 91 6.965 8.505 -1.751 1.00 0.00 C ATOM 1436 C GLU A 91 6.446 9.148 -3.034 1.00 0.00 C ATOM 1437 O GLU A 91 6.675 8.641 -4.133 1.00 0.00 O ATOM 1438 CB GLU A 91 8.285 9.160 -1.338 1.00 0.00 C ATOM 1439 CG GLU A 91 9.270 9.319 -2.484 1.00 0.00 C ATOM 1440 CD GLU A 91 10.107 8.074 -2.711 1.00 0.00 C ATOM 1441 OE1 GLU A 91 9.647 6.974 -2.341 1.00 0.00 O ATOM 1442 OE2 GLU A 91 11.221 8.201 -3.259 1.00 0.00 O ATOM 0 H GLU A 91 7.575 6.802 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 91 6.228 8.660 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.076 10.141 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.748 8.562 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.724 9.557 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.929 10.163 -2.278 1.00 0.00 H new ATOM 1449 N HIS A 92 5.744 10.268 -2.886 1.00 0.00 N ATOM 1450 CA HIS A 92 5.192 10.981 -4.033 1.00 0.00 C ATOM 1451 C HIS A 92 5.812 12.369 -4.159 1.00 0.00 C ATOM 1452 O HIS A 92 5.449 13.143 -5.044 1.00 0.00 O ATOM 1453 CB HIS A 92 3.673 11.098 -3.903 1.00 0.00 C ATOM 1454 CG HIS A 92 3.064 12.073 -4.863 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.141 13.026 -4.485 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.251 12.241 -6.193 1.00 0.00 C ATOM 1457 CE1 HIS A 92 1.786 13.736 -5.540 1.00 0.00 C ATOM 1458 NE2 HIS A 92 2.446 13.280 -6.590 1.00 0.00 N ATOM 0 H HIS A 92 5.544 10.701 -1.984 1.00 0.00 H new ATOM 0 HA HIS A 92 5.430 10.413 -4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.226 10.117 -4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.426 11.400 -2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.911 11.665 -6.825 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.077 14.551 -5.544 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.370 13.641 -7.541 1.00 0.00 H new ATOM 1467 N ALA A 93 6.749 12.677 -3.268 1.00 0.00 N ATOM 1468 CA ALA A 93 7.421 13.970 -3.282 1.00 0.00 C ATOM 1469 C ALA A 93 6.413 15.110 -3.386 1.00 0.00 C ATOM 1470 O ALA A 93 6.701 16.155 -3.969 1.00 0.00 O ATOM 1471 CB ALA A 93 8.416 14.037 -4.430 1.00 0.00 C ATOM 0 H ALA A 93 7.060 12.048 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 93 7.961 14.081 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.910 15.009 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.162 13.251 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.891 13.900 -5.375 1.00 0.00 H new ATOM 1477 N GLY A 94 5.230 14.902 -2.817 1.00 0.00 N ATOM 1478 CA GLY A 94 4.197 15.921 -2.858 1.00 0.00 C ATOM 1479 C GLY A 94 3.160 15.741 -1.767 1.00 0.00 C ATOM 1480 O GLY A 94 2.747 16.707 -1.127 1.00 0.00 O ATOM 0 H GLY A 94 4.968 14.046 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.657 16.904 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.705 15.896 -3.830 1.00 0.00 H new ATOM 1484 N VAL A 95 2.737 14.498 -1.555 1.00 0.00 N ATOM 1485 CA VAL A 95 1.741 14.194 -0.534 1.00 0.00 C ATOM 1486 C VAL A 95 2.398 13.655 0.731 1.00 0.00 C ATOM 1487 O VAL A 95 2.331 14.278 1.791 1.00 0.00 O ATOM 1488 CB VAL A 95 0.713 13.166 -1.043 1.00 0.00 C ATOM 1489 CG1 VAL A 95 -0.275 12.810 0.058 1.00 0.00 C ATOM 1490 CG2 VAL A 95 -0.012 13.700 -2.269 1.00 0.00 C ATOM 0 H VAL A 95 3.068 13.686 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 95 1.228 15.128 -0.304 1.00 0.00 H new ATOM 0 HB VAL A 95 1.244 12.258 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.994 12.083 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.262 12.383 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.802 13.709 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.734 12.961 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.532 14.623 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.710 13.900 -3.061 1.00 0.00 H new ATOM 1500 N ARG A 96 3.035 12.495 0.613 1.00 0.00 N ATOM 1501 CA ARG A 96 3.704 11.871 1.748 1.00 0.00 C ATOM 1502 C ARG A 96 4.474 10.629 1.310 1.00 0.00 C ATOM 1503 O ARG A 96 4.542 10.313 0.122 1.00 0.00 O ATOM 1504 CB ARG A 96 2.685 11.499 2.827 1.00 0.00 C ATOM 1505 CG ARG A 96 1.932 10.211 2.535 1.00 0.00 C ATOM 1506 CD ARG A 96 0.769 10.016 3.495 1.00 0.00 C ATOM 1507 NE ARG A 96 1.214 9.554 4.807 1.00 0.00 N ATOM 1508 CZ ARG A 96 0.520 9.736 5.925 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -0.645 10.367 5.890 1.00 0.00 N ATOM 1510 NH2 ARG A 96 0.992 9.286 7.081 1.00 0.00 N ATOM 0 H ARG A 96 3.102 11.968 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 96 4.412 12.590 2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.200 11.400 3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.968 12.313 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.560 10.230 1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.614 9.364 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.229 10.956 3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.069 9.294 3.075 1.00 0.00 H new ATOM 0 HE ARG A 96 2.107 9.065 4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.011 10.714 5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.176 10.505 6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.888 8.800 7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.458 9.426 7.939 1.00 0.00 H new ATOM 1524 N THR A 97 5.054 9.926 2.278 1.00 0.00 N ATOM 1525 CA THR A 97 5.821 8.720 1.993 1.00 0.00 C ATOM 1526 C THR A 97 5.331 7.546 2.834 1.00 0.00 C ATOM 1527 O THR A 97 5.446 7.556 4.059 1.00 0.00 O ATOM 1528 CB THR A 97 7.323 8.933 2.257 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.823 9.983 1.420 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.105 7.655 1.997 1.00 0.00 C ATOM 0 H THR A 97 5.007 10.172 3.267 1.00 0.00 H new ATOM 0 HA THR A 97 5.674 8.495 0.937 1.00 0.00 H new ATOM 0 HB THR A 97 7.450 9.211 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.778 10.114 1.595 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.163 7.830 2.190 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.742 6.866 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.971 7.351 0.959 1.00 0.00 H new ATOM 1538 N TYR A 98 4.785 6.535 2.167 1.00 0.00 N ATOM 1539 CA TYR A 98 4.276 5.353 2.854 1.00 0.00 C ATOM 1540 C TYR A 98 5.366 4.295 2.998 1.00 0.00 C ATOM 1541 O TYR A 98 6.455 4.429 2.440 1.00 0.00 O ATOM 1542 CB TYR A 98 3.082 4.772 2.095 1.00 0.00 C ATOM 1543 CG TYR A 98 1.804 5.557 2.284 1.00 0.00 C ATOM 1544 CD1 TYR A 98 0.950 5.288 3.346 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.450 6.569 1.399 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.219 6.002 3.522 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.283 7.289 1.568 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.548 7.002 2.630 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.711 7.717 2.802 1.00 0.00 O ATOM 0 H TYR A 98 4.683 6.510 1.152 1.00 0.00 H new ATOM 0 HA TYR A 98 3.953 5.653 3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.321 4.734 1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.919 3.745 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.205 4.507 4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.098 6.796 0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.872 5.779 4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.023 8.073 0.872 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.793 8.384 2.089 1.00 0.00 H new ATOM 1559 N PHE A 99 5.063 3.243 3.752 1.00 0.00 N ATOM 1560 CA PHE A 99 6.016 2.161 3.971 1.00 0.00 C ATOM 1561 C PHE A 99 5.308 0.809 3.991 1.00 0.00 C ATOM 1562 O PHE A 99 4.159 0.704 4.418 1.00 0.00 O ATOM 1563 CB PHE A 99 6.769 2.375 5.286 1.00 0.00 C ATOM 1564 CG PHE A 99 7.706 3.548 5.256 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.217 4.843 5.265 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.078 3.354 5.219 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.077 5.925 5.239 1.00 0.00 C ATOM 1568 CE2 PHE A 99 9.943 4.432 5.192 1.00 0.00 C ATOM 1569 CZ PHE A 99 9.442 5.719 5.201 1.00 0.00 C ATOM 0 H PHE A 99 4.166 3.117 4.221 1.00 0.00 H new ATOM 0 HA PHE A 99 6.729 2.166 3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.047 2.518 6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.335 1.474 5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.150 5.010 5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.475 2.350 5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.682 6.930 5.248 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.010 4.268 5.164 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.116 6.562 5.178 1.00 0.00 H new ATOM 1579 N PHE A 100 6.004 -0.222 3.523 1.00 0.00 N ATOM 1580 CA PHE A 100 5.443 -1.568 3.485 1.00 0.00 C ATOM 1581 C PHE A 100 6.542 -2.619 3.611 1.00 0.00 C ATOM 1582 O PHE A 100 7.491 -2.637 2.828 1.00 0.00 O ATOM 1583 CB PHE A 100 4.663 -1.782 2.186 1.00 0.00 C ATOM 1584 CG PHE A 100 3.839 -0.593 1.779 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.625 -0.333 2.393 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.280 0.263 0.782 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.865 0.760 2.021 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.524 1.357 0.406 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.314 1.605 1.025 1.00 0.00 C ATOM 0 H PHE A 100 6.957 -0.151 3.165 1.00 0.00 H new ATOM 0 HA PHE A 100 4.763 -1.675 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.364 -2.020 1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.008 -2.645 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.268 -0.992 3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.224 0.073 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.921 0.953 2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.879 2.018 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.720 2.458 0.731 1.00 0.00 H new ATOM 1599 N SER A 101 6.405 -3.493 4.603 1.00 0.00 N ATOM 1600 CA SER A 101 7.388 -4.545 4.835 1.00 0.00 C ATOM 1601 C SER A 101 6.877 -5.888 4.323 1.00 0.00 C ATOM 1602 O SER A 101 5.675 -6.080 4.144 1.00 0.00 O ATOM 1603 CB SER A 101 7.716 -4.646 6.326 1.00 0.00 C ATOM 1604 OG SER A 101 8.305 -5.897 6.635 1.00 0.00 O ATOM 0 H SER A 101 5.624 -3.494 5.259 1.00 0.00 H new ATOM 0 HA SER A 101 8.295 -4.288 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.395 -3.841 6.607 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.806 -4.514 6.911 1.00 0.00 H new ATOM 0 HG SER A 101 9.277 -5.793 6.701 1.00 0.00 H new ATOM 1610 N ALA A 102 7.800 -6.816 4.091 1.00 0.00 N ATOM 1611 CA ALA A 102 7.444 -8.142 3.601 1.00 0.00 C ATOM 1612 C ALA A 102 8.018 -9.231 4.501 1.00 0.00 C ATOM 1613 O ALA A 102 9.225 -9.283 4.736 1.00 0.00 O ATOM 1614 CB ALA A 102 7.931 -8.325 2.172 1.00 0.00 C ATOM 0 H ALA A 102 8.800 -6.674 4.235 1.00 0.00 H new ATOM 0 HA ALA A 102 6.358 -8.229 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.658 -9.320 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.470 -7.573 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.015 -8.213 2.140 1.00 0.00 H new ATOM 1620 N GLU A 103 7.144 -10.099 5.003 1.00 0.00 N ATOM 1621 CA GLU A 103 7.566 -11.186 5.879 1.00 0.00 C ATOM 1622 C GLU A 103 8.739 -11.951 5.271 1.00 0.00 C ATOM 1623 O GLU A 103 9.534 -12.560 5.987 1.00 0.00 O ATOM 1624 CB GLU A 103 6.400 -12.142 6.139 1.00 0.00 C ATOM 1625 CG GLU A 103 5.607 -12.489 4.891 1.00 0.00 C ATOM 1626 CD GLU A 103 4.939 -13.848 4.982 1.00 0.00 C ATOM 1627 OE1 GLU A 103 3.855 -13.937 5.594 1.00 0.00 O ATOM 1628 OE2 GLU A 103 5.503 -14.822 4.440 1.00 0.00 O ATOM 0 H GLU A 103 6.141 -10.070 4.818 1.00 0.00 H new ATOM 0 HA GLU A 103 7.889 -10.752 6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.786 -13.061 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.730 -11.693 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.847 -11.725 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.271 -12.472 4.027 1.00 0.00 H new ATOM 1635 N SER A 104 8.839 -11.914 3.946 1.00 0.00 N ATOM 1636 CA SER A 104 9.911 -12.606 3.241 1.00 0.00 C ATOM 1637 C SER A 104 10.524 -11.710 2.169 1.00 0.00 C ATOM 1638 O SER A 104 9.896 -10.775 1.672 1.00 0.00 O ATOM 1639 CB SER A 104 9.384 -13.894 2.605 1.00 0.00 C ATOM 1640 OG SER A 104 8.126 -13.679 1.988 1.00 0.00 O ATOM 0 H SER A 104 8.191 -11.412 3.339 1.00 0.00 H new ATOM 0 HA SER A 104 10.685 -12.857 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 104 10.098 -14.257 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 104 9.292 -14.668 3.367 1.00 0.00 H new ATOM 0 HG SER A 104 7.811 -14.516 1.588 1.00 0.00 H new ATOM 1646 N PRO A 105 11.781 -12.001 1.804 1.00 0.00 N ATOM 1647 CA PRO A 105 12.507 -11.234 0.787 1.00 0.00 C ATOM 1648 C PRO A 105 11.946 -11.451 -0.614 1.00 0.00 C ATOM 1649 O PRO A 105 11.924 -10.533 -1.432 1.00 0.00 O ATOM 1650 CB PRO A 105 13.934 -11.781 0.882 1.00 0.00 C ATOM 1651 CG PRO A 105 13.776 -13.157 1.431 1.00 0.00 C ATOM 1652 CD PRO A 105 12.590 -13.101 2.355 1.00 0.00 C ATOM 0 HA PRO A 105 12.435 -10.160 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.418 -11.798 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.552 -11.163 1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.614 -13.880 0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.673 -13.469 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.039 -14.042 2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 105 12.891 -12.903 3.384 1.00 0.00 H new ATOM 1660 N GLU A 106 11.493 -12.672 -0.882 1.00 0.00 N ATOM 1661 CA GLU A 106 10.932 -13.008 -2.185 1.00 0.00 C ATOM 1662 C GLU A 106 9.703 -12.155 -2.485 1.00 0.00 C ATOM 1663 O GLU A 106 9.488 -11.736 -3.622 1.00 0.00 O ATOM 1664 CB GLU A 106 10.561 -14.492 -2.238 1.00 0.00 C ATOM 1665 CG GLU A 106 11.691 -15.385 -2.721 1.00 0.00 C ATOM 1666 CD GLU A 106 12.270 -14.928 -4.046 1.00 0.00 C ATOM 1667 OE1 GLU A 106 11.558 -14.224 -4.793 1.00 0.00 O ATOM 1668 OE2 GLU A 106 13.434 -15.275 -4.337 1.00 0.00 O ATOM 0 H GLU A 106 11.504 -13.444 -0.215 1.00 0.00 H new ATOM 0 HA GLU A 106 11.689 -12.802 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.252 -14.816 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.702 -14.620 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.481 -15.403 -1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.324 -16.406 -2.822 1.00 0.00 H new ATOM 1675 N GLU A 107 8.900 -11.902 -1.456 1.00 0.00 N ATOM 1676 CA GLU A 107 7.691 -11.100 -1.610 1.00 0.00 C ATOM 1677 C GLU A 107 8.039 -9.640 -1.883 1.00 0.00 C ATOM 1678 O GLU A 107 7.474 -9.014 -2.780 1.00 0.00 O ATOM 1679 CB GLU A 107 6.822 -11.202 -0.355 1.00 0.00 C ATOM 1680 CG GLU A 107 6.104 -12.535 -0.219 1.00 0.00 C ATOM 1681 CD GLU A 107 5.458 -12.712 1.141 1.00 0.00 C ATOM 1682 OE1 GLU A 107 5.273 -11.700 1.848 1.00 0.00 O ATOM 1683 OE2 GLU A 107 5.137 -13.865 1.499 1.00 0.00 O ATOM 0 H GLU A 107 9.064 -12.240 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 107 7.133 -11.489 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.447 -11.044 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.083 -10.401 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.340 -12.613 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.814 -13.345 -0.388 1.00 0.00 H new ATOM 1690 N GLN A 108 8.973 -9.104 -1.104 1.00 0.00 N ATOM 1691 CA GLN A 108 9.395 -7.717 -1.261 1.00 0.00 C ATOM 1692 C GLN A 108 9.778 -7.426 -2.708 1.00 0.00 C ATOM 1693 O GLN A 108 9.156 -6.595 -3.369 1.00 0.00 O ATOM 1694 CB GLN A 108 10.575 -7.413 -0.337 1.00 0.00 C ATOM 1695 CG GLN A 108 11.096 -5.990 -0.463 1.00 0.00 C ATOM 1696 CD GLN A 108 12.566 -5.874 -0.113 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.240 -6.876 0.128 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.073 -4.647 -0.083 1.00 0.00 N ATOM 0 H GLN A 108 9.452 -9.609 -0.358 1.00 0.00 H new ATOM 0 HA GLN A 108 8.557 -7.075 -0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.273 -7.590 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.385 -8.108 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.941 -5.639 -1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.518 -5.336 0.190 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.478 -3.844 -0.289 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.057 -4.507 0.146 1.00 0.00 H new ATOM 1707 N GLU A 109 10.807 -8.114 -3.193 1.00 0.00 N ATOM 1708 CA GLU A 109 11.273 -7.927 -4.562 1.00 0.00 C ATOM 1709 C GLU A 109 10.121 -8.066 -5.553 1.00 0.00 C ATOM 1710 O GLU A 109 9.922 -7.208 -6.412 1.00 0.00 O ATOM 1711 CB GLU A 109 12.370 -8.941 -4.893 1.00 0.00 C ATOM 1712 CG GLU A 109 11.838 -10.266 -5.412 1.00 0.00 C ATOM 1713 CD GLU A 109 12.944 -11.230 -5.794 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.574 -11.803 -4.881 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.179 -11.412 -7.008 1.00 0.00 O ATOM 0 H GLU A 109 11.333 -8.805 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 109 11.681 -6.920 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.038 -8.510 -5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.966 -9.124 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.209 -10.725 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.204 -10.084 -6.280 1.00 0.00 H new ATOM 1722 N ALA A 110 9.367 -9.152 -5.426 1.00 0.00 N ATOM 1723 CA ALA A 110 8.234 -9.403 -6.309 1.00 0.00 C ATOM 1724 C ALA A 110 7.257 -8.232 -6.295 1.00 0.00 C ATOM 1725 O ALA A 110 6.750 -7.822 -7.339 1.00 0.00 O ATOM 1726 CB ALA A 110 7.526 -10.688 -5.906 1.00 0.00 C ATOM 0 H ALA A 110 9.520 -9.873 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 110 8.614 -9.513 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.682 -10.863 -6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.222 -11.524 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.166 -10.599 -4.881 1.00 0.00 H new ATOM 1732 N TRP A 111 6.998 -7.698 -5.107 1.00 0.00 N ATOM 1733 CA TRP A 111 6.081 -6.574 -4.958 1.00 0.00 C ATOM 1734 C TRP A 111 6.581 -5.358 -5.730 1.00 0.00 C ATOM 1735 O TRP A 111 5.886 -4.838 -6.604 1.00 0.00 O ATOM 1736 CB TRP A 111 5.911 -6.220 -3.480 1.00 0.00 C ATOM 1737 CG TRP A 111 4.796 -6.968 -2.814 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.914 -7.929 -1.851 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.394 -6.818 -3.064 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.671 -8.386 -1.487 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.721 -7.719 -2.216 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.642 -6.009 -3.920 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.334 -7.833 -2.202 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.265 -6.123 -3.905 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.622 -7.028 -3.050 1.00 0.00 C ATOM 0 H TRP A 111 7.410 -8.025 -4.233 1.00 0.00 H new ATOM 0 HA TRP A 111 5.115 -6.869 -5.367 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.843 -6.428 -2.955 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.726 -5.150 -3.389 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.848 -8.278 -1.436 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.485 -9.105 -0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.128 -5.307 -4.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.837 -8.532 -1.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.674 -5.504 -4.564 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.456 -7.092 -3.060 1.00 0.00 H new ATOM 1756 N ILE A 112 7.788 -4.910 -5.404 1.00 0.00 N ATOM 1757 CA ILE A 112 8.380 -3.756 -6.069 1.00 0.00 C ATOM 1758 C ILE A 112 8.190 -3.835 -7.580 1.00 0.00 C ATOM 1759 O ILE A 112 7.890 -2.835 -8.230 1.00 0.00 O ATOM 1760 CB ILE A 112 9.883 -3.636 -5.757 1.00 0.00 C ATOM 1761 CG1 ILE A 112 10.102 -3.456 -4.253 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.494 -2.476 -6.529 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.542 -3.635 -3.826 1.00 0.00 C ATOM 0 H ILE A 112 8.376 -5.329 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 112 7.867 -2.874 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 112 10.378 -4.556 -6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.766 -2.461 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.480 -4.172 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.557 -2.405 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.366 -2.643 -7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.998 -1.548 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.622 -3.493 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.876 -4.639 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.167 -2.902 -4.336 1.00 0.00 H new ATOM 1775 N GLN A 113 8.367 -5.032 -8.131 1.00 0.00 N ATOM 1776 CA GLN A 113 8.214 -5.241 -9.566 1.00 0.00 C ATOM 1777 C GLN A 113 6.880 -4.690 -10.057 1.00 0.00 C ATOM 1778 O GLN A 113 6.827 -3.951 -11.040 1.00 0.00 O ATOM 1779 CB GLN A 113 8.318 -6.731 -9.899 1.00 0.00 C ATOM 1780 CG GLN A 113 9.668 -7.339 -9.555 1.00 0.00 C ATOM 1781 CD GLN A 113 10.035 -8.496 -10.463 1.00 0.00 C ATOM 1782 OE1 GLN A 113 10.001 -9.656 -10.053 1.00 0.00 O ATOM 1783 NE2 GLN A 113 10.390 -8.184 -11.704 1.00 0.00 N ATOM 0 H GLN A 113 8.616 -5.870 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 113 9.016 -4.705 -10.074 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.538 -7.270 -9.361 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.126 -6.871 -10.963 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.437 -6.570 -9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.654 -7.684 -8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.404 -7.208 -12.000 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.649 -8.920 -12.361 1.00 0.00 H new ATOM 1792 N ALA A 114 5.804 -5.054 -9.367 1.00 0.00 N ATOM 1793 CA ALA A 114 4.470 -4.594 -9.733 1.00 0.00 C ATOM 1794 C ALA A 114 4.236 -3.161 -9.265 1.00 0.00 C ATOM 1795 O ALA A 114 3.828 -2.303 -10.047 1.00 0.00 O ATOM 1796 CB ALA A 114 3.414 -5.521 -9.149 1.00 0.00 C ATOM 0 H ALA A 114 5.830 -5.666 -8.551 1.00 0.00 H new ATOM 0 HA ALA A 114 4.392 -4.611 -10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.423 -5.166 -9.430 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.561 -6.529 -9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.501 -5.533 -8.063 1.00 0.00 H new ATOM 1802 N MET A 115 4.497 -2.911 -7.987 1.00 0.00 N ATOM 1803 CA MET A 115 4.315 -1.581 -7.416 1.00 0.00 C ATOM 1804 C MET A 115 5.256 -0.575 -8.071 1.00 0.00 C ATOM 1805 O MET A 115 4.814 0.385 -8.700 1.00 0.00 O ATOM 1806 CB MET A 115 4.555 -1.614 -5.905 1.00 0.00 C ATOM 1807 CG MET A 115 3.367 -2.132 -5.112 1.00 0.00 C ATOM 1808 SD MET A 115 3.405 -1.612 -3.386 1.00 0.00 S ATOM 1809 CE MET A 115 2.848 -3.107 -2.570 1.00 0.00 C ATOM 0 H MET A 115 4.835 -3.611 -7.327 1.00 0.00 H new ATOM 0 HA MET A 115 3.288 -1.268 -7.606 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.422 -2.241 -5.697 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.800 -0.609 -5.562 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.445 -1.779 -5.574 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.350 -3.221 -5.159 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.631 -2.891 -1.524 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.946 -3.474 -3.059 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.628 -3.866 -2.630 1.00 0.00 H new ATOM 1819 N GLY A 116 6.557 -0.802 -7.918 1.00 0.00 N ATOM 1820 CA GLY A 116 7.540 0.094 -8.500 1.00 0.00 C ATOM 1821 C GLY A 116 7.196 0.486 -9.923 1.00 0.00 C ATOM 1822 O GLY A 116 7.266 1.661 -10.284 1.00 0.00 O ATOM 0 H GLY A 116 6.948 -1.590 -7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.616 0.992 -7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.519 -0.386 -8.485 1.00 0.00 H new ATOM 1826 N GLU A 117 6.825 -0.500 -10.734 1.00 0.00 N ATOM 1827 CA GLU A 117 6.472 -0.251 -12.127 1.00 0.00 C ATOM 1828 C GLU A 117 5.139 0.486 -12.226 1.00 0.00 C ATOM 1829 O GLU A 117 5.049 1.549 -12.839 1.00 0.00 O ATOM 1830 CB GLU A 117 6.398 -1.568 -12.901 1.00 0.00 C ATOM 1831 CG GLU A 117 7.747 -2.057 -13.400 1.00 0.00 C ATOM 1832 CD GLU A 117 7.622 -3.100 -14.494 1.00 0.00 C ATOM 1833 OE1 GLU A 117 6.660 -3.017 -15.287 1.00 0.00 O ATOM 1834 OE2 GLU A 117 8.486 -4.000 -14.557 1.00 0.00 O ATOM 0 H GLU A 117 6.761 -1.478 -10.451 1.00 0.00 H new ATOM 0 HA GLU A 117 7.248 0.376 -12.566 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.958 -2.332 -12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.729 -1.442 -13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.320 -1.209 -13.775 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.308 -2.477 -12.565 1.00 0.00 H new ATOM 1841 N ALA A 118 4.105 -0.089 -11.620 1.00 0.00 N ATOM 1842 CA ALA A 118 2.777 0.512 -11.639 1.00 0.00 C ATOM 1843 C ALA A 118 2.840 1.992 -11.277 1.00 0.00 C ATOM 1844 O ALA A 118 2.037 2.792 -11.756 1.00 0.00 O ATOM 1845 CB ALA A 118 1.849 -0.228 -10.687 1.00 0.00 C ATOM 0 H ALA A 118 4.162 -0.970 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 118 2.381 0.429 -12.651 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.861 0.232 -10.711 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.771 -1.272 -10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.249 -0.175 -9.674 1.00 0.00 H new ATOM 1851 N ALA A 119 3.797 2.349 -10.427 1.00 0.00 N ATOM 1852 CA ALA A 119 3.965 3.733 -10.002 1.00 0.00 C ATOM 1853 C ALA A 119 4.423 4.611 -11.161 1.00 0.00 C ATOM 1854 O ALA A 119 3.870 5.687 -11.392 1.00 0.00 O ATOM 1855 CB ALA A 119 4.957 3.815 -8.851 1.00 0.00 C ATOM 0 H ALA A 119 4.468 1.698 -10.019 1.00 0.00 H new ATOM 0 HA ALA A 119 2.998 4.102 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.073 4.854 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.588 3.227 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.921 3.422 -9.173 1.00 0.00 H new ATOM 1861 N ARG A 120 5.435 4.147 -11.886 1.00 0.00 N ATOM 1862 CA ARG A 120 5.968 4.892 -13.020 1.00 0.00 C ATOM 1863 C ARG A 120 4.842 5.529 -13.830 1.00 0.00 C ATOM 1864 O ARG A 120 3.810 4.904 -14.075 1.00 0.00 O ATOM 1865 CB ARG A 120 6.799 3.972 -13.917 1.00 0.00 C ATOM 1866 CG ARG A 120 8.264 3.897 -13.521 1.00 0.00 C ATOM 1867 CD ARG A 120 8.926 2.643 -14.071 1.00 0.00 C ATOM 1868 NE ARG A 120 10.376 2.670 -13.901 1.00 0.00 N ATOM 1869 CZ ARG A 120 10.983 2.467 -12.737 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.269 2.223 -11.647 1.00 0.00 N ATOM 1871 NH2 ARG A 120 12.307 2.507 -12.662 1.00 0.00 N ATOM 0 H ARG A 120 5.903 3.258 -11.708 1.00 0.00 H new ATOM 0 HA ARG A 120 6.608 5.685 -12.633 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.372 2.969 -13.890 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.727 4.321 -14.947 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.788 4.778 -13.891 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.349 3.908 -12.434 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.518 1.767 -13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.687 2.541 -15.130 1.00 0.00 H new ATOM 0 HE ARG A 120 10.954 2.855 -14.721 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.251 2.191 -11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.738 2.067 -10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.860 2.694 -13.499 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.772 2.351 -11.768 1.00 0.00 H new