USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 663 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 90 THR OG1 : rot 180:sc= -0.0842 USER MOD Set 1.2: A 93 GLN : amide:sc= -1.19 X(o=-1.3,f=-1.7) USER MOD Set 2.1: A 81 ASN : amide:sc= -0.575 X(o=0.53,f=1) USER MOD Set 2.2: A 106 TYR OH : rot -149:sc= 1.11 USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= -2.03! (180deg=-4.25!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -0.0205 (180deg=-0.616) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.211) USER MOD Single : A 49 TYR OH : rot 30:sc= -1.39 USER MOD Single : A 53 SER OG : rot 130:sc= -1.51! USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 59 GLN : amide:sc= -0.412 K(o=-0.41,f=-3.2!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.351) USER MOD Single : A 69 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.66) USER MOD Single : A 82 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -157:sc= -1.1 (180deg=-3.14!) USER MOD Single : A 95 TYR OH : rot -40:sc= -1.67! USER MOD Single : A 96 GLN : amide:sc= -0.0035 X(o=-0.0035,f=0) USER MOD Single : A 98 HIS :FLIP no HE2:sc= -15! C(o=-16!,f=-15!) USER MOD Single : A 99 HIS : no HE2:sc= -4.26! C(o=-4.3!,f=-8.3!) USER MOD Single : A 109 TYR OH : rot 48:sc= -7.65! USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ARG A 28 3.167 14.606 1.299 1.00 0.00 N ATOM 178 CA ARG A 28 3.415 13.135 1.253 1.00 0.00 C ATOM 179 C ARG A 28 2.103 12.384 1.015 1.00 0.00 C ATOM 180 O ARG A 28 1.113 12.960 0.609 1.00 0.00 O ATOM 181 CB ARG A 28 3.992 12.787 2.626 1.00 0.00 C ATOM 182 CG ARG A 28 5.507 13.004 2.616 1.00 0.00 C ATOM 183 CD ARG A 28 5.815 14.429 2.148 1.00 0.00 C ATOM 184 NE ARG A 28 7.252 14.639 2.473 1.00 0.00 N ATOM 185 CZ ARG A 28 7.918 15.603 1.897 1.00 0.00 C ATOM 186 NH1 ARG A 28 7.759 15.833 0.623 1.00 0.00 N ATOM 187 NH2 ARG A 28 8.740 16.338 2.596 1.00 0.00 N ATOM 0 HA ARG A 28 4.091 12.855 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.531 13.408 3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.765 11.751 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.915 12.841 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.984 12.281 1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.631 14.542 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.184 15.157 2.658 1.00 0.00 H new ATOM 0 HE ARG A 28 7.717 14.030 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.115 15.260 0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.279 16.586 0.172 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.862 16.159 3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.260 17.091 2.145 1.00 0.00 H new ATOM 199 N VAL A 29 2.086 11.102 1.261 1.00 0.00 N ATOM 200 CA VAL A 29 0.835 10.319 1.044 1.00 0.00 C ATOM 201 C VAL A 29 0.707 9.212 2.098 1.00 0.00 C ATOM 202 O VAL A 29 1.436 8.236 2.069 1.00 0.00 O ATOM 203 CB VAL A 29 0.983 9.717 -0.356 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.004 8.552 -0.524 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.678 10.788 -1.406 1.00 0.00 C ATOM 0 H VAL A 29 2.882 10.564 1.602 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.058 10.938 1.130 1.00 0.00 H new ATOM 0 HB VAL A 29 2.003 9.355 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.113 8.126 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.218 7.787 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.016 8.912 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.783 10.360 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.342 11.149 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.375 11.618 -1.292 1.00 0.00 H new ATOM 215 N PRO A 30 -0.230 9.404 2.992 1.00 0.00 N ATOM 216 CA PRO A 30 -0.478 8.413 4.064 1.00 0.00 C ATOM 217 C PRO A 30 -1.269 7.222 3.508 1.00 0.00 C ATOM 218 O PRO A 30 -2.486 7.226 3.481 1.00 0.00 O ATOM 219 CB PRO A 30 -1.310 9.187 5.082 1.00 0.00 C ATOM 220 CG PRO A 30 -1.983 10.271 4.298 1.00 0.00 C ATOM 221 CD PRO A 30 -1.129 10.560 3.088 1.00 0.00 C ATOM 0 HA PRO A 30 0.437 8.003 4.493 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.041 8.540 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.681 9.603 5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.983 9.960 3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.099 11.168 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.736 10.667 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.571 11.489 3.208 1.00 0.00 H new ATOM 229 N VAL A 31 -0.586 6.212 3.047 1.00 0.00 N ATOM 230 CA VAL A 31 -1.289 5.034 2.479 1.00 0.00 C ATOM 231 C VAL A 31 -1.650 4.026 3.577 1.00 0.00 C ATOM 232 O VAL A 31 -0.816 3.624 4.361 1.00 0.00 O ATOM 233 CB VAL A 31 -0.297 4.418 1.475 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.557 5.512 0.825 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.622 3.404 2.168 1.00 0.00 C ATOM 0 H VAL A 31 0.432 6.154 3.040 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.229 5.315 2.003 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.876 3.906 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.252 5.059 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.090 6.214 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.117 6.043 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.314 2.982 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.185 3.903 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.021 2.605 2.602 1.00 0.00 H new ATOM 245 N ILE A 32 -2.878 3.594 3.621 1.00 0.00 N ATOM 246 CA ILE A 32 -3.277 2.588 4.646 1.00 0.00 C ATOM 247 C ILE A 32 -3.104 1.193 4.049 1.00 0.00 C ATOM 248 O ILE A 32 -3.454 0.955 2.912 1.00 0.00 O ATOM 249 CB ILE A 32 -4.750 2.868 4.947 1.00 0.00 C ATOM 250 CG1 ILE A 32 -4.887 4.260 5.569 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.279 1.819 5.926 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.023 4.341 6.829 1.00 0.00 C ATOM 0 H ILE A 32 -3.624 3.893 2.992 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.677 2.645 5.554 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.325 2.824 4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.578 5.022 4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.930 4.459 5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.329 2.018 6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.181 0.827 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.705 1.863 6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.119 5.332 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.353 3.588 7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.980 4.161 6.567 1.00 0.00 H new ATOM 264 N VAL A 33 -2.550 0.272 4.784 1.00 0.00 N ATOM 265 CA VAL A 33 -2.350 -1.086 4.210 1.00 0.00 C ATOM 266 C VAL A 33 -3.097 -2.150 5.023 1.00 0.00 C ATOM 267 O VAL A 33 -3.230 -2.057 6.227 1.00 0.00 O ATOM 268 CB VAL A 33 -0.824 -1.294 4.224 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.418 -2.429 5.176 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.365 -1.633 2.805 1.00 0.00 C ATOM 0 H VAL A 33 -2.231 0.397 5.745 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.753 -1.177 3.201 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.351 -0.377 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.665 -2.547 5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.742 -2.188 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.889 -3.358 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.715 -1.783 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.861 -2.544 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.621 -0.813 2.134 1.00 0.00 H new ATOM 280 N GLU A 34 -3.575 -3.161 4.355 1.00 0.00 N ATOM 281 CA GLU A 34 -4.308 -4.256 5.047 1.00 0.00 C ATOM 282 C GLU A 34 -4.232 -5.529 4.200 1.00 0.00 C ATOM 283 O GLU A 34 -3.426 -5.635 3.296 1.00 0.00 O ATOM 284 CB GLU A 34 -5.753 -3.764 5.156 1.00 0.00 C ATOM 285 CG GLU A 34 -6.274 -4.018 6.572 1.00 0.00 C ATOM 286 CD GLU A 34 -7.407 -5.046 6.523 1.00 0.00 C ATOM 287 OE1 GLU A 34 -8.077 -5.111 5.506 1.00 0.00 O ATOM 288 OE2 GLU A 34 -7.585 -5.748 7.504 1.00 0.00 O ATOM 0 H GLU A 34 -3.488 -3.277 3.345 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.892 -4.490 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.805 -2.700 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.380 -4.280 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.467 -4.381 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.632 -3.087 7.011 1.00 0.00 H new ATOM 295 N LYS A 35 -5.059 -6.495 4.478 1.00 0.00 N ATOM 296 CA LYS A 35 -5.018 -7.752 3.677 1.00 0.00 C ATOM 297 C LYS A 35 -6.376 -8.023 3.032 1.00 0.00 C ATOM 298 O LYS A 35 -7.397 -7.537 3.476 1.00 0.00 O ATOM 299 CB LYS A 35 -4.679 -8.854 4.677 1.00 0.00 C ATOM 300 CG LYS A 35 -3.436 -9.607 4.204 1.00 0.00 C ATOM 301 CD LYS A 35 -2.250 -8.642 4.134 1.00 0.00 C ATOM 302 CE LYS A 35 -2.033 -8.004 5.507 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.926 -9.151 6.451 1.00 0.00 N ATOM 0 H LYS A 35 -5.758 -6.472 5.220 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.289 -7.693 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.503 -8.424 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.519 -9.542 4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.212 -10.426 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.617 -10.049 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.352 -9.175 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.438 -7.870 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.129 -7.395 5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.862 -7.349 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.321 -8.884 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.873 -9.404 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.509 -9.967 5.960 1.00 0.00 H new ATOM 317 N ALA A 36 -6.392 -8.811 1.996 1.00 0.00 N ATOM 318 CA ALA A 36 -7.683 -9.135 1.324 1.00 0.00 C ATOM 319 C ALA A 36 -8.599 -9.852 2.321 1.00 0.00 C ATOM 320 O ALA A 36 -8.266 -9.962 3.484 1.00 0.00 O ATOM 321 CB ALA A 36 -7.302 -10.061 0.164 1.00 0.00 C ATOM 0 H ALA A 36 -5.567 -9.246 1.583 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.216 -8.253 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.200 -10.347 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.618 -9.541 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.817 -10.955 0.556 1.00 0.00 H new ATOM 327 N PRO A 37 -9.723 -10.323 1.847 1.00 0.00 N ATOM 328 CA PRO A 37 -10.667 -11.034 2.742 1.00 0.00 C ATOM 329 C PRO A 37 -10.075 -12.383 3.156 1.00 0.00 C ATOM 330 O PRO A 37 -10.007 -13.311 2.374 1.00 0.00 O ATOM 331 CB PRO A 37 -11.919 -11.206 1.886 1.00 0.00 C ATOM 332 CG PRO A 37 -11.430 -11.152 0.476 1.00 0.00 C ATOM 333 CD PRO A 37 -10.222 -10.251 0.466 1.00 0.00 C ATOM 0 HA PRO A 37 -10.878 -10.500 3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.414 -12.154 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.644 -10.417 2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.171 -12.149 0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.205 -10.767 -0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.473 -10.593 -0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.486 -9.231 0.188 1.00 0.00 H new ATOM 341 N LYS A 38 -9.641 -12.493 4.382 1.00 0.00 N ATOM 342 CA LYS A 38 -9.046 -13.772 4.856 1.00 0.00 C ATOM 343 C LYS A 38 -7.753 -14.071 4.092 1.00 0.00 C ATOM 344 O LYS A 38 -7.490 -15.196 3.714 1.00 0.00 O ATOM 345 CB LYS A 38 -10.107 -14.830 4.564 1.00 0.00 C ATOM 346 CG LYS A 38 -10.647 -15.386 5.882 1.00 0.00 C ATOM 347 CD LYS A 38 -9.505 -16.019 6.676 1.00 0.00 C ATOM 348 CE LYS A 38 -10.072 -17.047 7.658 1.00 0.00 C ATOM 349 NZ LYS A 38 -8.928 -17.403 8.543 1.00 0.00 N ATOM 0 H LYS A 38 -9.674 -11.748 5.078 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.783 -13.742 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.919 -14.395 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.679 -15.634 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.109 -14.588 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.422 -16.127 5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.799 -16.499 5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.954 -15.249 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.900 -16.631 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.455 -17.924 7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.238 -18.105 9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.157 -17.803 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.589 -16.550 9.032 1.00 0.00 H new ATOM 363 N ALA A 39 -6.941 -13.072 3.865 1.00 0.00 N ATOM 364 CA ALA A 39 -5.663 -13.303 3.129 1.00 0.00 C ATOM 365 C ALA A 39 -4.795 -14.308 3.891 1.00 0.00 C ATOM 366 O ALA A 39 -5.191 -14.831 4.914 1.00 0.00 O ATOM 367 CB ALA A 39 -4.981 -11.936 3.078 1.00 0.00 C ATOM 0 H ALA A 39 -7.107 -12.109 4.156 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.826 -13.712 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.031 -12.023 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.624 -11.228 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.801 -11.581 4.093 1.00 0.00 H new ATOM 373 N ARG A 40 -3.618 -14.587 3.403 1.00 0.00 N ATOM 374 CA ARG A 40 -2.738 -15.563 4.109 1.00 0.00 C ATOM 375 C ARG A 40 -1.261 -15.230 3.875 1.00 0.00 C ATOM 376 O ARG A 40 -0.422 -16.107 3.835 1.00 0.00 O ATOM 377 CB ARG A 40 -3.082 -16.920 3.495 1.00 0.00 C ATOM 378 CG ARG A 40 -2.676 -16.934 2.020 1.00 0.00 C ATOM 379 CD ARG A 40 -2.261 -18.352 1.621 1.00 0.00 C ATOM 380 NE ARG A 40 -0.907 -18.537 2.213 1.00 0.00 N ATOM 381 CZ ARG A 40 -0.593 -19.669 2.780 1.00 0.00 C ATOM 382 NH1 ARG A 40 -0.108 -20.646 2.063 1.00 0.00 N ATOM 383 NH2 ARG A 40 -0.764 -19.825 4.065 1.00 0.00 N ATOM 0 H ARG A 40 -3.228 -14.184 2.551 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.895 -15.546 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.565 -17.715 4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.150 -17.113 3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.507 -16.598 1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.852 -16.241 1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.964 -19.092 2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.237 -18.466 0.537 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.226 -17.779 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.026 -20.524 1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.137 -21.531 2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.143 -19.062 4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.519 -20.710 4.508 1.00 0.00 H new ATOM 395 N ILE A 41 -0.933 -13.977 3.723 1.00 0.00 N ATOM 396 CA ILE A 41 0.496 -13.621 3.496 1.00 0.00 C ATOM 397 C ILE A 41 1.231 -13.481 4.837 1.00 0.00 C ATOM 398 O ILE A 41 0.652 -13.631 5.893 1.00 0.00 O ATOM 399 CB ILE A 41 0.506 -12.312 2.680 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.198 -11.154 3.412 1.00 0.00 C ATOM 401 CG2 ILE A 41 -0.206 -12.552 1.348 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.579 -10.765 4.663 1.00 0.00 C ATOM 0 H ILE A 41 -1.584 -13.192 3.746 1.00 0.00 H new ATOM 0 HA ILE A 41 1.023 -14.400 2.944 1.00 0.00 H new ATOM 0 HB ILE A 41 1.548 -12.028 2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.284 -10.294 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.212 -11.450 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.204 -11.632 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.312 -13.335 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.234 -12.861 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.068 -9.945 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.642 -11.622 5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.584 -10.449 4.383 1.00 0.00 H new ATOM 414 N GLY A 42 2.511 -13.227 4.794 1.00 0.00 N ATOM 415 CA GLY A 42 3.308 -13.111 6.056 1.00 0.00 C ATOM 416 C GLY A 42 2.620 -12.181 7.053 1.00 0.00 C ATOM 417 O GLY A 42 1.541 -11.686 6.822 1.00 0.00 O ATOM 0 H GLY A 42 3.045 -13.094 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.436 -14.097 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.304 -12.733 5.828 1.00 0.00 H new ATOM 421 N ASP A 43 3.244 -11.942 8.171 1.00 0.00 N ATOM 422 CA ASP A 43 2.631 -11.041 9.189 1.00 0.00 C ATOM 423 C ASP A 43 2.758 -9.584 8.738 1.00 0.00 C ATOM 424 O ASP A 43 3.211 -9.301 7.645 1.00 0.00 O ATOM 425 CB ASP A 43 3.436 -11.282 10.466 1.00 0.00 C ATOM 426 CG ASP A 43 2.531 -11.082 11.684 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.325 -11.176 11.524 1.00 0.00 O ATOM 428 OD2 ASP A 43 3.060 -10.839 12.756 1.00 0.00 O ATOM 0 H ASP A 43 4.152 -12.331 8.426 1.00 0.00 H new ATOM 0 HA ASP A 43 1.569 -11.239 9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.845 -12.292 10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.281 -10.595 10.511 1.00 0.00 H new ATOM 433 N LEU A 44 2.366 -8.655 9.565 1.00 0.00 N ATOM 434 CA LEU A 44 2.468 -7.219 9.172 1.00 0.00 C ATOM 435 C LEU A 44 3.031 -6.389 10.328 1.00 0.00 C ATOM 436 O LEU A 44 2.634 -6.540 11.466 1.00 0.00 O ATOM 437 CB LEU A 44 1.038 -6.786 8.855 1.00 0.00 C ATOM 438 CG LEU A 44 0.874 -6.628 7.343 1.00 0.00 C ATOM 439 CD1 LEU A 44 1.799 -5.518 6.841 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.235 -7.944 6.651 1.00 0.00 C ATOM 0 H LEU A 44 1.980 -8.826 10.494 1.00 0.00 H new ATOM 0 HA LEU A 44 3.135 -7.076 8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.331 -7.525 9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.813 -5.844 9.356 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.160 -6.369 7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.681 -5.406 5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.542 -4.580 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.833 -5.776 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.118 -7.832 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.269 -8.203 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.575 -8.735 7.007 1.00 0.00 H new ATOM 452 N ASP A 45 3.949 -5.510 10.040 1.00 0.00 N ATOM 453 CA ASP A 45 4.537 -4.663 11.118 1.00 0.00 C ATOM 454 C ASP A 45 3.677 -3.414 11.330 1.00 0.00 C ATOM 455 O ASP A 45 3.438 -2.994 12.445 1.00 0.00 O ATOM 456 CB ASP A 45 5.929 -4.281 10.612 1.00 0.00 C ATOM 457 CG ASP A 45 6.972 -4.625 11.676 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.613 -4.648 12.843 1.00 0.00 O ATOM 459 OD2 ASP A 45 8.110 -4.860 11.308 1.00 0.00 O ATOM 0 H ASP A 45 4.319 -5.340 9.105 1.00 0.00 H new ATOM 0 HA ASP A 45 4.585 -5.183 12.075 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.149 -4.813 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.965 -3.216 10.384 1.00 0.00 H new ATOM 464 N LYS A 46 3.212 -2.819 10.267 1.00 0.00 N ATOM 465 CA LYS A 46 2.368 -1.598 10.400 1.00 0.00 C ATOM 466 C LYS A 46 1.425 -1.478 9.198 1.00 0.00 C ATOM 467 O LYS A 46 1.708 -1.980 8.127 1.00 0.00 O ATOM 468 CB LYS A 46 3.357 -0.433 10.425 1.00 0.00 C ATOM 469 CG LYS A 46 3.868 -0.228 11.853 1.00 0.00 C ATOM 470 CD LYS A 46 5.277 -0.809 11.978 1.00 0.00 C ATOM 471 CE LYS A 46 6.307 0.317 11.856 1.00 0.00 C ATOM 472 NZ LYS A 46 7.335 0.012 12.890 1.00 0.00 N ATOM 0 H LYS A 46 3.380 -3.126 9.309 1.00 0.00 H new ATOM 0 HA LYS A 46 1.744 -1.620 11.294 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.192 -0.636 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.874 0.476 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.878 0.834 12.098 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.199 -0.713 12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.389 -1.316 12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.444 -1.555 11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.746 0.344 10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.850 1.291 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.076 0.741 12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.889 -0.000 13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.758 -0.918 12.695 1.00 0.00 H new ATOM 486 N LYS A 47 0.308 -0.818 9.359 1.00 0.00 N ATOM 487 CA LYS A 47 -0.637 -0.675 8.214 1.00 0.00 C ATOM 488 C LYS A 47 -0.718 0.788 7.783 1.00 0.00 C ATOM 489 O LYS A 47 -1.784 1.322 7.549 1.00 0.00 O ATOM 490 CB LYS A 47 -1.987 -1.160 8.748 1.00 0.00 C ATOM 491 CG LYS A 47 -1.989 -2.688 8.819 1.00 0.00 C ATOM 492 CD LYS A 47 -1.291 -3.142 10.103 1.00 0.00 C ATOM 493 CE LYS A 47 -2.267 -3.957 10.954 1.00 0.00 C ATOM 494 NZ LYS A 47 -3.336 -2.995 11.342 1.00 0.00 N ATOM 0 H LYS A 47 0.011 -0.375 10.228 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.321 -1.246 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.171 -0.739 9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.792 -0.815 8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.013 -3.062 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.480 -3.103 7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.415 -3.743 9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.939 -2.276 10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.676 -4.796 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.773 -4.373 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.683 -3.227 12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.951 -2.029 11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.121 -3.056 10.663 1.00 0.00 H new ATOM 508 N LYS A 48 0.405 1.439 7.677 1.00 0.00 N ATOM 509 CA LYS A 48 0.402 2.869 7.257 1.00 0.00 C ATOM 510 C LYS A 48 1.796 3.277 6.775 1.00 0.00 C ATOM 511 O LYS A 48 2.733 3.340 7.545 1.00 0.00 O ATOM 512 CB LYS A 48 0.020 3.650 8.515 1.00 0.00 C ATOM 513 CG LYS A 48 0.958 3.265 9.662 1.00 0.00 C ATOM 514 CD LYS A 48 1.972 4.387 9.893 1.00 0.00 C ATOM 515 CE LYS A 48 2.105 4.656 11.395 1.00 0.00 C ATOM 516 NZ LYS A 48 0.868 5.398 11.763 1.00 0.00 N ATOM 0 H LYS A 48 1.327 1.043 7.863 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.288 3.059 6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.083 4.721 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.013 3.436 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.384 3.087 10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.476 2.336 9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.940 4.108 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.652 5.293 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.189 3.726 11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.997 5.243 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.070 6.037 12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.541 5.954 10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.128 4.722 12.041 1.00 0.00 H new ATOM 530 N TYR A 49 1.944 3.562 5.510 1.00 0.00 N ATOM 531 CA TYR A 49 3.282 3.972 5.002 1.00 0.00 C ATOM 532 C TYR A 49 3.258 5.444 4.597 1.00 0.00 C ATOM 533 O TYR A 49 2.331 5.915 3.970 1.00 0.00 O ATOM 534 CB TYR A 49 3.549 3.103 3.774 1.00 0.00 C ATOM 535 CG TYR A 49 3.664 1.651 4.175 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.560 0.973 4.707 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.881 0.983 4.013 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.677 -0.371 5.078 1.00 0.00 C ATOM 539 CE2 TYR A 49 4.998 -0.362 4.382 1.00 0.00 C ATOM 540 CZ TYR A 49 3.896 -1.040 4.916 1.00 0.00 C ATOM 541 OH TYR A 49 4.011 -2.366 5.282 1.00 0.00 O ATOM 0 H TYR A 49 1.202 3.529 4.811 1.00 0.00 H new ATOM 0 HA TYR A 49 4.054 3.847 5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.742 3.225 3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.468 3.426 3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.619 1.487 4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.732 1.505 3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.826 -0.893 5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.939 -0.877 4.255 1.00 0.00 H new ATOM 0 HH TYR A 49 3.145 -2.811 5.174 1.00 0.00 H new ATOM 551 N LEU A 50 4.283 6.163 4.937 1.00 0.00 N ATOM 552 CA LEU A 50 4.345 7.602 4.557 1.00 0.00 C ATOM 553 C LEU A 50 5.216 7.738 3.312 1.00 0.00 C ATOM 554 O LEU A 50 6.410 7.945 3.397 1.00 0.00 O ATOM 555 CB LEU A 50 4.991 8.307 5.750 1.00 0.00 C ATOM 556 CG LEU A 50 4.029 9.360 6.301 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.933 8.673 7.118 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.798 10.332 7.199 1.00 0.00 C ATOM 0 H LEU A 50 5.086 5.819 5.464 1.00 0.00 H new ATOM 0 HA LEU A 50 3.368 8.029 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.236 7.582 6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.926 8.777 5.446 1.00 0.00 H new ATOM 0 HG LEU A 50 3.577 9.907 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.247 9.424 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.385 7.979 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.385 8.126 7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.113 11.083 7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.249 9.784 8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.580 10.822 6.619 1.00 0.00 H new ATOM 570 N VAL A 51 4.635 7.598 2.155 1.00 0.00 N ATOM 571 CA VAL A 51 5.445 7.692 0.909 1.00 0.00 C ATOM 572 C VAL A 51 5.154 8.994 0.165 1.00 0.00 C ATOM 573 O VAL A 51 4.052 9.505 0.206 1.00 0.00 O ATOM 574 CB VAL A 51 5.015 6.486 0.074 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.146 5.211 0.911 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.558 6.662 -0.362 1.00 0.00 C ATOM 0 H VAL A 51 3.640 7.423 2.017 1.00 0.00 H new ATOM 0 HA VAL A 51 6.515 7.692 1.116 1.00 0.00 H new ATOM 0 HB VAL A 51 5.652 6.409 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.839 4.351 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.183 5.085 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.509 5.287 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.250 5.803 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.921 6.740 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.464 7.569 -0.959 1.00 0.00 H new ATOM 586 N PRO A 52 6.164 9.483 -0.501 1.00 0.00 N ATOM 587 CA PRO A 52 6.029 10.736 -1.278 1.00 0.00 C ATOM 588 C PRO A 52 5.197 10.475 -2.538 1.00 0.00 C ATOM 589 O PRO A 52 5.217 9.395 -3.093 1.00 0.00 O ATOM 590 CB PRO A 52 7.473 11.100 -1.621 1.00 0.00 C ATOM 591 CG PRO A 52 8.219 9.805 -1.583 1.00 0.00 C ATOM 592 CD PRO A 52 7.514 8.917 -0.590 1.00 0.00 C ATOM 0 HA PRO A 52 5.521 11.537 -0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.540 11.565 -2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.881 11.812 -0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.237 9.342 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.256 9.966 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.491 7.881 -0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.015 8.925 0.378 1.00 0.00 H new ATOM 600 N SER A 53 4.445 11.445 -2.975 1.00 0.00 N ATOM 601 CA SER A 53 3.588 11.247 -4.180 1.00 0.00 C ATOM 602 C SER A 53 4.432 10.947 -5.426 1.00 0.00 C ATOM 603 O SER A 53 3.922 10.495 -6.433 1.00 0.00 O ATOM 604 CB SER A 53 2.847 12.571 -4.348 1.00 0.00 C ATOM 605 OG SER A 53 2.770 12.894 -5.729 1.00 0.00 O ATOM 0 H SER A 53 4.386 12.370 -2.549 1.00 0.00 H new ATOM 0 HA SER A 53 2.914 10.399 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.846 12.497 -3.924 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.365 13.362 -3.806 1.00 0.00 H new ATOM 0 HG SER A 53 1.844 13.116 -5.962 1.00 0.00 H new ATOM 611 N ASP A 54 5.706 11.207 -5.376 1.00 0.00 N ATOM 612 CA ASP A 54 6.567 10.950 -6.570 1.00 0.00 C ATOM 613 C ASP A 54 7.012 9.483 -6.627 1.00 0.00 C ATOM 614 O ASP A 54 7.506 9.020 -7.636 1.00 0.00 O ATOM 615 CB ASP A 54 7.778 11.866 -6.384 1.00 0.00 C ATOM 616 CG ASP A 54 8.609 11.879 -7.669 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.017 11.920 -8.734 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.824 11.847 -7.564 1.00 0.00 O ATOM 0 H ASP A 54 6.192 11.586 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 54 6.034 11.145 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.449 12.876 -6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.386 11.518 -5.549 1.00 0.00 H new ATOM 623 N LEU A 55 6.857 8.750 -5.559 1.00 0.00 N ATOM 624 CA LEU A 55 7.294 7.321 -5.576 1.00 0.00 C ATOM 625 C LEU A 55 6.521 6.518 -6.618 1.00 0.00 C ATOM 626 O LEU A 55 5.343 6.720 -6.830 1.00 0.00 O ATOM 627 CB LEU A 55 6.972 6.763 -4.187 1.00 0.00 C ATOM 628 CG LEU A 55 8.253 6.614 -3.368 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.968 5.736 -2.150 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.346 5.948 -4.210 1.00 0.00 C ATOM 0 H LEU A 55 6.450 9.073 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 55 8.353 7.252 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.278 7.427 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.477 5.796 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 55 8.591 7.602 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.878 5.625 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.194 6.201 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.628 4.755 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.254 5.848 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.010 4.961 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.553 6.561 -5.087 1.00 0.00 H new ATOM 642 N THR A 56 7.180 5.585 -7.246 1.00 0.00 N ATOM 643 CA THR A 56 6.493 4.734 -8.254 1.00 0.00 C ATOM 644 C THR A 56 5.928 3.490 -7.561 1.00 0.00 C ATOM 645 O THR A 56 6.296 3.171 -6.447 1.00 0.00 O ATOM 646 CB THR A 56 7.579 4.346 -9.260 1.00 0.00 C ATOM 647 OG1 THR A 56 8.767 4.005 -8.561 1.00 0.00 O ATOM 648 CG2 THR A 56 7.854 5.523 -10.196 1.00 0.00 C ATOM 0 H THR A 56 8.168 5.375 -7.103 1.00 0.00 H new ATOM 0 HA THR A 56 5.663 5.244 -8.743 1.00 0.00 H new ATOM 0 HB THR A 56 7.244 3.491 -9.847 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.464 3.754 -9.203 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.628 5.245 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.941 5.783 -10.731 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.190 6.381 -9.613 1.00 0.00 H new ATOM 656 N VAL A 57 5.040 2.786 -8.202 1.00 0.00 N ATOM 657 CA VAL A 57 4.464 1.569 -7.563 1.00 0.00 C ATOM 658 C VAL A 57 5.567 0.537 -7.299 1.00 0.00 C ATOM 659 O VAL A 57 5.471 -0.270 -6.396 1.00 0.00 O ATOM 660 CB VAL A 57 3.453 1.031 -8.574 1.00 0.00 C ATOM 661 CG1 VAL A 57 2.765 -0.208 -7.999 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.404 2.107 -8.865 1.00 0.00 C ATOM 0 H VAL A 57 4.688 2.998 -9.136 1.00 0.00 H new ATOM 0 HA VAL A 57 3.999 1.787 -6.602 1.00 0.00 H new ATOM 0 HB VAL A 57 3.968 0.764 -9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.044 -0.592 -8.721 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.511 -0.974 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.249 0.058 -7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.682 1.725 -9.586 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.889 2.372 -7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.893 2.991 -9.275 1.00 0.00 H new ATOM 672 N GLY A 58 6.614 0.558 -8.080 1.00 0.00 N ATOM 673 CA GLY A 58 7.721 -0.420 -7.872 1.00 0.00 C ATOM 674 C GLY A 58 8.437 -0.126 -6.549 1.00 0.00 C ATOM 675 O GLY A 58 8.853 -1.025 -5.847 1.00 0.00 O ATOM 0 H GLY A 58 6.750 1.210 -8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.324 -1.435 -7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.429 -0.362 -8.699 1.00 0.00 H new ATOM 679 N GLN A 59 8.581 1.125 -6.201 1.00 0.00 N ATOM 680 CA GLN A 59 9.271 1.469 -4.920 1.00 0.00 C ATOM 681 C GLN A 59 8.392 1.069 -3.735 1.00 0.00 C ATOM 682 O GLN A 59 8.839 0.433 -2.790 1.00 0.00 O ATOM 683 CB GLN A 59 9.458 2.985 -4.963 1.00 0.00 C ATOM 684 CG GLN A 59 10.273 3.359 -6.200 1.00 0.00 C ATOM 685 CD GLN A 59 11.705 3.700 -5.786 1.00 0.00 C ATOM 686 OE1 GLN A 59 11.944 4.117 -4.669 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.676 3.540 -6.643 1.00 0.00 N ATOM 0 H GLN A 59 8.252 1.923 -6.745 1.00 0.00 H new ATOM 0 HA GLN A 59 10.222 0.949 -4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.488 3.482 -4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.967 3.326 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.276 2.532 -6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.817 4.211 -6.705 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.477 3.190 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.634 3.765 -6.376 1.00 0.00 H new ATOM 696 N PHE A 60 7.139 1.425 -3.775 1.00 0.00 N ATOM 697 CA PHE A 60 6.244 1.050 -2.650 1.00 0.00 C ATOM 698 C PHE A 60 6.213 -0.475 -2.527 1.00 0.00 C ATOM 699 O PHE A 60 6.107 -1.018 -1.447 1.00 0.00 O ATOM 700 CB PHE A 60 4.860 1.596 -3.010 1.00 0.00 C ATOM 701 CG PHE A 60 3.950 1.376 -1.829 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.282 1.929 -0.587 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.799 0.594 -1.962 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.463 1.703 0.522 1.00 0.00 C ATOM 705 CE2 PHE A 60 1.984 0.361 -0.850 1.00 0.00 C ATOM 706 CZ PHE A 60 2.319 0.916 0.392 1.00 0.00 C ATOM 0 H PHE A 60 6.701 1.953 -4.530 1.00 0.00 H new ATOM 0 HA PHE A 60 6.581 1.455 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.920 2.657 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.468 1.090 -3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.173 2.531 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.540 0.171 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.715 2.137 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.097 -0.247 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.690 0.734 1.251 1.00 0.00 H new ATOM 716 N TYR A 61 6.328 -1.168 -3.626 1.00 0.00 N ATOM 717 CA TYR A 61 6.332 -2.656 -3.576 1.00 0.00 C ATOM 718 C TYR A 61 7.501 -3.143 -2.719 1.00 0.00 C ATOM 719 O TYR A 61 7.430 -4.169 -2.073 1.00 0.00 O ATOM 720 CB TYR A 61 6.545 -3.079 -5.030 1.00 0.00 C ATOM 721 CG TYR A 61 5.537 -4.125 -5.432 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.570 -5.398 -4.852 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.579 -3.820 -6.402 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.637 -6.368 -5.243 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.646 -4.787 -6.794 1.00 0.00 C ATOM 726 CZ TYR A 61 3.676 -6.062 -6.214 1.00 0.00 C ATOM 727 OH TYR A 61 2.756 -7.016 -6.600 1.00 0.00 O ATOM 0 H TYR A 61 6.420 -0.766 -4.559 1.00 0.00 H new ATOM 0 HA TYR A 61 5.418 -3.066 -3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.457 -2.211 -5.683 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.554 -3.471 -5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.313 -5.633 -4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.558 -2.837 -6.850 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.659 -7.351 -4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.904 -4.551 -7.542 1.00 0.00 H new ATOM 0 HH TYR A 61 2.161 -6.640 -7.281 1.00 0.00 H new ATOM 737 N PHE A 62 8.583 -2.418 -2.725 1.00 0.00 N ATOM 738 CA PHE A 62 9.769 -2.839 -1.931 1.00 0.00 C ATOM 739 C PHE A 62 9.531 -2.631 -0.434 1.00 0.00 C ATOM 740 O PHE A 62 9.748 -3.524 0.362 1.00 0.00 O ATOM 741 CB PHE A 62 10.909 -1.944 -2.419 1.00 0.00 C ATOM 742 CG PHE A 62 12.221 -2.680 -2.276 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.674 -3.510 -3.308 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.984 -2.531 -1.111 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.890 -4.192 -3.176 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.199 -3.213 -0.979 1.00 0.00 C ATOM 747 CZ PHE A 62 14.652 -4.044 -2.010 1.00 0.00 C ATOM 0 H PHE A 62 8.697 -1.549 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 62 9.988 -3.899 -2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.747 -1.665 -3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.933 -1.020 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.086 -3.625 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.635 -1.890 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.240 -4.832 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.788 -3.098 -0.081 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.589 -4.571 -1.907 1.00 0.00 H new ATOM 757 N LEU A 63 9.123 -1.459 -0.027 1.00 0.00 N ATOM 758 CA LEU A 63 8.926 -1.239 1.443 1.00 0.00 C ATOM 759 C LEU A 63 7.882 -2.196 2.050 1.00 0.00 C ATOM 760 O LEU A 63 8.047 -2.638 3.169 1.00 0.00 O ATOM 761 CB LEU A 63 8.533 0.232 1.649 1.00 0.00 C ATOM 762 CG LEU A 63 7.427 0.668 0.692 1.00 0.00 C ATOM 763 CD1 LEU A 63 6.092 0.691 1.433 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.756 2.076 0.185 1.00 0.00 C ATOM 0 H LEU A 63 8.921 -0.660 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 63 9.856 -1.459 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.201 0.378 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.408 0.865 1.504 1.00 0.00 H new ATOM 0 HG LEU A 63 7.357 -0.027 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.302 1.002 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.870 -0.306 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.150 1.393 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.977 2.407 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.811 2.763 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.714 2.061 -0.334 1.00 0.00 H new ATOM 776 N ILE A 64 6.824 -2.557 1.357 1.00 0.00 N ATOM 777 CA ILE A 64 5.863 -3.516 2.009 1.00 0.00 C ATOM 778 C ILE A 64 6.400 -4.945 1.887 1.00 0.00 C ATOM 779 O ILE A 64 6.126 -5.790 2.716 1.00 0.00 O ATOM 780 CB ILE A 64 4.486 -3.446 1.314 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.377 -2.285 0.321 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.404 -3.282 2.385 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.917 -2.143 -0.105 1.00 0.00 C ATOM 0 H ILE A 64 6.588 -2.249 0.414 1.00 0.00 H new ATOM 0 HA ILE A 64 5.757 -3.242 3.059 1.00 0.00 H new ATOM 0 HB ILE A 64 4.358 -4.369 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.729 -1.361 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.008 -2.470 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.425 -3.231 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.433 -4.134 3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.583 -2.364 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.823 -1.319 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.584 -3.067 -0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.300 -1.941 0.771 1.00 0.00 H new ATOM 795 N ARG A 65 7.152 -5.223 0.857 1.00 0.00 N ATOM 796 CA ARG A 65 7.698 -6.601 0.677 1.00 0.00 C ATOM 797 C ARG A 65 8.169 -7.167 2.020 1.00 0.00 C ATOM 798 O ARG A 65 7.659 -8.161 2.496 1.00 0.00 O ATOM 799 CB ARG A 65 8.879 -6.443 -0.280 1.00 0.00 C ATOM 800 CG ARG A 65 8.484 -6.954 -1.667 1.00 0.00 C ATOM 801 CD ARG A 65 9.736 -7.080 -2.539 1.00 0.00 C ATOM 802 NE ARG A 65 9.630 -8.424 -3.170 1.00 0.00 N ATOM 803 CZ ARG A 65 10.711 -9.095 -3.460 1.00 0.00 C ATOM 804 NH1 ARG A 65 11.306 -8.908 -4.606 1.00 0.00 N ATOM 805 NH2 ARG A 65 11.197 -9.952 -2.605 1.00 0.00 N ATOM 0 H ARG A 65 7.413 -4.556 0.131 1.00 0.00 H new ATOM 0 HA ARG A 65 6.948 -7.290 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.176 -5.396 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.739 -6.999 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.988 -7.921 -1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.773 -6.270 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.774 -6.292 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.644 -6.995 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 65 8.713 -8.820 -3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.926 -8.238 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.151 -9.432 -4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.732 -10.098 -1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.042 -10.476 -2.833 1.00 0.00 H new ATOM 817 N LYS A 66 9.135 -6.544 2.634 1.00 0.00 N ATOM 818 CA LYS A 66 9.626 -7.053 3.946 1.00 0.00 C ATOM 819 C LYS A 66 8.525 -6.920 4.998 1.00 0.00 C ATOM 820 O LYS A 66 8.469 -7.671 5.952 1.00 0.00 O ATOM 821 CB LYS A 66 10.820 -6.163 4.296 1.00 0.00 C ATOM 822 CG LYS A 66 12.106 -6.804 3.771 1.00 0.00 C ATOM 823 CD LYS A 66 12.438 -6.230 2.391 1.00 0.00 C ATOM 824 CE LYS A 66 13.060 -7.322 1.518 1.00 0.00 C ATOM 825 NZ LYS A 66 14.342 -7.670 2.193 1.00 0.00 N ATOM 0 H LYS A 66 9.605 -5.708 2.287 1.00 0.00 H new ATOM 0 HA LYS A 66 9.906 -8.106 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.690 -5.173 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.883 -6.029 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.927 -6.615 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.986 -7.885 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.534 -5.844 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.128 -5.392 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.404 -8.190 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.232 -6.965 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.969 -8.155 1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.803 -6.801 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.150 -8.297 3.000 1.00 0.00 H new ATOM 839 N ARG A 67 7.643 -5.975 4.828 1.00 0.00 N ATOM 840 CA ARG A 67 6.541 -5.801 5.813 1.00 0.00 C ATOM 841 C ARG A 67 5.555 -6.966 5.699 1.00 0.00 C ATOM 842 O ARG A 67 4.750 -7.200 6.578 1.00 0.00 O ATOM 843 CB ARG A 67 5.866 -4.486 5.426 1.00 0.00 C ATOM 844 CG ARG A 67 6.877 -3.343 5.544 1.00 0.00 C ATOM 845 CD ARG A 67 7.094 -3.004 7.021 1.00 0.00 C ATOM 846 NE ARG A 67 8.494 -3.417 7.309 1.00 0.00 N ATOM 847 CZ ARG A 67 9.481 -2.602 7.055 1.00 0.00 C ATOM 848 NH1 ARG A 67 9.679 -1.562 7.818 1.00 0.00 N ATOM 849 NH2 ARG A 67 10.268 -2.827 6.039 1.00 0.00 N ATOM 0 H ARG A 67 7.638 -5.316 4.049 1.00 0.00 H new ATOM 0 HA ARG A 67 6.900 -5.783 6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.485 -4.546 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.011 -4.298 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.822 -3.630 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.515 -2.466 5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.950 -1.940 7.207 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.387 -3.537 7.656 1.00 0.00 H new ATOM 0 HE ARG A 67 8.682 -4.338 7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.063 -1.387 8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.450 -0.924 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.112 -3.640 5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.039 -2.190 5.841 1.00 0.00 H new ATOM 861 N ILE A 68 5.617 -7.702 4.621 1.00 0.00 N ATOM 862 CA ILE A 68 4.689 -8.854 4.452 1.00 0.00 C ATOM 863 C ILE A 68 5.417 -10.157 4.784 1.00 0.00 C ATOM 864 O ILE A 68 4.929 -11.237 4.519 1.00 0.00 O ATOM 865 CB ILE A 68 4.275 -8.825 2.977 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.539 -7.512 2.643 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.347 -10.004 2.684 1.00 0.00 C ATOM 868 CD1 ILE A 68 2.836 -6.951 3.886 1.00 0.00 C ATOM 0 H ILE A 68 6.270 -7.554 3.852 1.00 0.00 H new ATOM 0 HA ILE A 68 3.823 -8.792 5.112 1.00 0.00 H new ATOM 0 HB ILE A 68 5.174 -8.893 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.249 -6.779 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.807 -7.690 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.053 -9.983 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.867 -10.938 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.459 -9.933 3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.323 -6.025 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.110 -7.677 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.574 -6.752 4.663 1.00 0.00 H new ATOM 880 N HIS A 69 6.583 -10.060 5.360 1.00 0.00 N ATOM 881 CA HIS A 69 7.347 -11.289 5.713 1.00 0.00 C ATOM 882 C HIS A 69 7.511 -12.181 4.486 1.00 0.00 C ATOM 883 O HIS A 69 7.586 -13.390 4.587 1.00 0.00 O ATOM 884 CB HIS A 69 6.509 -11.989 6.783 1.00 0.00 C ATOM 885 CG HIS A 69 7.389 -12.370 7.942 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.760 -12.517 7.814 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.104 -12.638 9.257 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.246 -12.860 9.020 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.279 -12.948 9.937 1.00 0.00 N ATOM 0 H HIS A 69 7.040 -9.181 5.602 1.00 0.00 H new ATOM 0 HA HIS A 69 8.350 -11.060 6.072 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.709 -11.331 7.122 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.035 -12.877 6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.118 -12.612 9.698 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.291 -13.042 9.222 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.379 -13.190 10.923 1.00 0.00 H new ATOM 897 N LEU A 70 7.581 -11.592 3.329 1.00 0.00 N ATOM 898 CA LEU A 70 7.756 -12.406 2.092 1.00 0.00 C ATOM 899 C LEU A 70 9.106 -12.087 1.449 1.00 0.00 C ATOM 900 O LEU A 70 9.673 -11.036 1.667 1.00 0.00 O ATOM 901 CB LEU A 70 6.601 -12.012 1.169 1.00 0.00 C ATOM 902 CG LEU A 70 6.744 -10.548 0.741 1.00 0.00 C ATOM 903 CD1 LEU A 70 7.776 -10.440 -0.383 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.392 -10.036 0.235 1.00 0.00 C ATOM 0 H LEU A 70 7.525 -10.584 3.183 1.00 0.00 H new ATOM 0 HA LEU A 70 7.745 -13.476 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.592 -12.657 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.650 -12.158 1.681 1.00 0.00 H new ATOM 0 HG LEU A 70 7.071 -9.951 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.876 -9.398 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.739 -10.809 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.449 -11.036 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.489 -8.994 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.071 -10.636 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.652 -10.113 1.032 1.00 0.00 H new ATOM 916 N ARG A 71 9.635 -12.989 0.668 1.00 0.00 N ATOM 917 CA ARG A 71 10.958 -12.728 0.031 1.00 0.00 C ATOM 918 C ARG A 71 11.229 -13.728 -1.099 1.00 0.00 C ATOM 919 O ARG A 71 10.362 -14.477 -1.502 1.00 0.00 O ATOM 920 CB ARG A 71 11.972 -12.910 1.165 1.00 0.00 C ATOM 921 CG ARG A 71 12.200 -14.404 1.424 1.00 0.00 C ATOM 922 CD ARG A 71 11.950 -14.711 2.902 1.00 0.00 C ATOM 923 NE ARG A 71 11.490 -16.127 2.926 1.00 0.00 N ATOM 924 CZ ARG A 71 12.352 -17.089 3.111 1.00 0.00 C ATOM 925 NH1 ARG A 71 13.189 -17.032 4.110 1.00 0.00 N ATOM 926 NH2 ARG A 71 12.376 -18.110 2.298 1.00 0.00 N ATOM 0 H ARG A 71 9.212 -13.890 0.444 1.00 0.00 H new ATOM 0 HA ARG A 71 11.009 -11.737 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.914 -12.429 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.608 -12.426 2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.532 -14.998 0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.219 -14.680 1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.857 -14.580 3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.198 -14.044 3.322 1.00 0.00 H new ATOM 0 HE ARG A 71 10.502 -16.345 2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.170 -16.235 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.863 -17.784 4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.721 -18.156 1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.050 -18.862 2.443 1.00 0.00 H new ATOM 938 N ALA A 72 12.435 -13.751 -1.598 1.00 0.00 N ATOM 939 CA ALA A 72 12.781 -14.706 -2.688 1.00 0.00 C ATOM 940 C ALA A 72 11.784 -14.594 -3.843 1.00 0.00 C ATOM 941 O ALA A 72 11.976 -13.830 -4.768 1.00 0.00 O ATOM 942 CB ALA A 72 12.704 -16.088 -2.041 1.00 0.00 C ATOM 0 H ALA A 72 13.199 -13.146 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 72 13.766 -14.505 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.946 -16.850 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.415 -16.144 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.696 -16.257 -1.663 1.00 0.00 H new ATOM 948 N GLU A 73 10.726 -15.357 -3.808 1.00 0.00 N ATOM 949 CA GLU A 73 9.735 -15.297 -4.919 1.00 0.00 C ATOM 950 C GLU A 73 8.329 -15.658 -4.424 1.00 0.00 C ATOM 951 O GLU A 73 7.535 -16.221 -5.151 1.00 0.00 O ATOM 952 CB GLU A 73 10.243 -16.325 -5.933 1.00 0.00 C ATOM 953 CG GLU A 73 9.780 -17.731 -5.539 1.00 0.00 C ATOM 954 CD GLU A 73 10.685 -18.770 -6.204 1.00 0.00 C ATOM 955 OE1 GLU A 73 11.842 -18.848 -5.825 1.00 0.00 O ATOM 956 OE2 GLU A 73 10.205 -19.469 -7.081 1.00 0.00 O ATOM 0 H GLU A 73 10.506 -16.016 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 73 9.650 -14.298 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.873 -16.078 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.331 -16.293 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.811 -17.846 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.745 -17.884 -5.846 1.00 0.00 H new ATOM 963 N ASP A 74 8.010 -15.336 -3.202 1.00 0.00 N ATOM 964 CA ASP A 74 6.651 -15.664 -2.687 1.00 0.00 C ATOM 965 C ASP A 74 5.593 -15.069 -3.606 1.00 0.00 C ATOM 966 O ASP A 74 5.885 -14.384 -4.565 1.00 0.00 O ATOM 967 CB ASP A 74 6.593 -15.050 -1.279 1.00 0.00 C ATOM 968 CG ASP A 74 5.198 -14.498 -0.958 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.378 -15.261 -0.472 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.976 -13.324 -1.204 1.00 0.00 O ATOM 0 H ASP A 74 8.626 -14.863 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 74 6.460 -16.737 -2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.864 -15.805 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.328 -14.249 -1.201 1.00 0.00 H new ATOM 975 N ALA A 75 4.370 -15.335 -3.300 1.00 0.00 N ATOM 976 CA ALA A 75 3.253 -14.802 -4.132 1.00 0.00 C ATOM 977 C ALA A 75 2.670 -13.543 -3.488 1.00 0.00 C ATOM 978 O ALA A 75 2.510 -13.465 -2.286 1.00 0.00 O ATOM 979 CB ALA A 75 2.209 -15.916 -4.167 1.00 0.00 C ATOM 0 H ALA A 75 4.082 -15.903 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 75 3.584 -14.526 -5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.355 -15.595 -4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.646 -16.810 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.880 -16.138 -3.152 1.00 0.00 H new ATOM 985 N LEU A 76 2.351 -12.558 -4.280 1.00 0.00 N ATOM 986 CA LEU A 76 1.778 -11.305 -3.713 1.00 0.00 C ATOM 987 C LEU A 76 1.133 -10.468 -4.816 1.00 0.00 C ATOM 988 O LEU A 76 1.507 -10.541 -5.970 1.00 0.00 O ATOM 989 CB LEU A 76 2.965 -10.559 -3.105 1.00 0.00 C ATOM 990 CG LEU A 76 2.539 -9.148 -2.692 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.800 -9.206 -1.354 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.782 -8.267 -2.545 1.00 0.00 C ATOM 0 H LEU A 76 2.462 -12.566 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 76 1.003 -11.510 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.342 -11.103 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.780 -10.505 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 76 1.880 -8.731 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.497 -8.200 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.916 -9.836 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.459 -9.623 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.482 -7.261 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.438 -8.688 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.312 -8.224 -3.496 1.00 0.00 H new ATOM 1004 N PHE A 77 0.169 -9.673 -4.463 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.510 -8.819 -5.473 1.00 0.00 C ATOM 1006 C PHE A 77 -1.171 -7.624 -4.781 1.00 0.00 C ATOM 1007 O PHE A 77 -1.965 -7.782 -3.874 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.561 -9.724 -6.113 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.872 -10.801 -6.917 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.376 -10.511 -8.194 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.729 -12.088 -6.386 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.264 -11.509 -8.939 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.089 -13.086 -7.131 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.408 -12.796 -8.407 1.00 0.00 C ATOM 0 H PHE A 77 -0.182 -9.576 -3.510 1.00 0.00 H new ATOM 0 HA PHE A 77 0.180 -8.417 -6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.187 -10.174 -5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.218 -9.139 -6.756 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.487 -9.518 -8.604 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.112 -12.311 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.647 -11.286 -9.924 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.021 -14.079 -6.721 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.903 -13.565 -8.981 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.837 -6.431 -5.191 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.437 -5.227 -4.545 1.00 0.00 C ATOM 1026 C PHE A 78 -2.738 -4.822 -5.240 1.00 0.00 C ATOM 1027 O PHE A 78 -2.773 -4.573 -6.428 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.397 -4.120 -4.707 1.00 0.00 C ATOM 1029 CG PHE A 78 0.698 -4.292 -3.684 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.382 -4.532 -2.341 1.00 0.00 C ATOM 1031 CD2 PHE A 78 2.032 -4.209 -4.081 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.408 -4.690 -1.399 1.00 0.00 C ATOM 1033 CE2 PHE A 78 3.053 -4.367 -3.142 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.746 -4.608 -1.805 1.00 0.00 C ATOM 0 H PHE A 78 -0.176 -6.237 -5.943 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.681 -5.419 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.024 -4.149 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.869 -3.145 -4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.651 -4.595 -2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.276 -4.022 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.167 -4.875 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.085 -4.302 -3.454 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.539 -4.732 -1.082 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.798 -4.731 -4.493 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.102 -4.313 -5.075 1.00 0.00 C ATOM 1046 C PHE A 79 -5.571 -3.039 -4.378 1.00 0.00 C ATOM 1047 O PHE A 79 -5.740 -3.003 -3.175 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.073 -5.447 -4.781 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.488 -6.763 -5.233 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.584 -7.146 -6.576 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -4.857 -7.604 -4.309 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.047 -8.369 -6.995 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.322 -8.827 -4.728 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.417 -9.210 -6.071 1.00 0.00 C ATOM 0 H PHE A 79 -3.818 -4.930 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.031 -4.116 -6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.288 -5.484 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.019 -5.267 -5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.072 -6.498 -7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.783 -7.309 -3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.119 -8.663 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.835 -9.476 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.004 -10.154 -6.394 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.778 -1.999 -5.118 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.234 -0.724 -4.496 1.00 0.00 C ATOM 1066 C VAL A 80 -7.576 -0.306 -5.099 1.00 0.00 C ATOM 1067 O VAL A 80 -7.667 0.028 -6.263 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.144 0.299 -4.825 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.226 1.462 -3.836 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.764 -0.358 -4.710 1.00 0.00 C ATOM 0 H VAL A 80 -5.653 -1.969 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.382 -0.814 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.290 0.664 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.451 2.192 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.205 1.936 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.081 1.088 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.992 0.374 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.619 -0.725 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.698 -1.192 -5.409 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.621 -0.331 -4.319 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.957 0.054 -4.855 1.00 0.00 C ATOM 1082 C ASN A 81 -10.381 -0.930 -5.948 1.00 0.00 C ATOM 1083 O ASN A 81 -11.024 -0.563 -6.913 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.761 1.453 -5.441 1.00 0.00 C ATOM 1085 CG ASN A 81 -11.083 2.220 -5.380 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.520 2.780 -6.366 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.745 2.272 -4.255 1.00 0.00 N ATOM 0 H ASN A 81 -8.608 -0.601 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.733 0.040 -4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.992 1.988 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.416 1.382 -6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.627 2.782 -4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.380 1.803 -3.426 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.024 -2.177 -5.805 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.400 -3.191 -6.836 1.00 0.00 C ATOM 1096 C ASN A 82 -9.630 -2.938 -8.134 1.00 0.00 C ATOM 1097 O ASN A 82 -10.136 -3.147 -9.218 1.00 0.00 O ATOM 1098 CB ASN A 82 -11.901 -3.000 -7.060 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.503 -4.296 -7.605 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -11.786 -5.204 -7.976 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.800 -4.422 -7.671 1.00 0.00 N ATOM 0 H ASN A 82 -9.487 -2.540 -5.018 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.163 -4.206 -6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.387 -2.726 -6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.074 -2.183 -7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.211 -5.282 -8.034 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.403 -3.660 -7.360 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.408 -2.492 -8.033 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.608 -2.227 -9.265 1.00 0.00 C ATOM 1110 C VAL A 83 -6.193 -2.791 -9.106 1.00 0.00 C ATOM 1111 O VAL A 83 -5.779 -3.149 -8.021 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.563 -0.699 -9.404 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.258 -0.328 -10.857 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -8.914 -0.097 -9.004 1.00 0.00 C ATOM 0 H VAL A 83 -7.929 -2.300 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.046 -2.699 -10.145 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.785 -0.305 -8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.226 0.757 -10.956 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.294 -0.747 -11.145 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.037 -0.729 -11.506 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.873 0.988 -9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.695 -0.493 -9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.136 -0.356 -7.969 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.446 -2.851 -10.178 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.052 -3.386 -10.112 1.00 0.00 C ATOM 1126 C ILE A 84 -3.232 -2.793 -11.261 1.00 0.00 C ATOM 1127 O ILE A 84 -2.992 -3.448 -12.256 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.165 -4.903 -10.319 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.399 -5.473 -9.610 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -2.914 -5.583 -9.764 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -6.648 -5.212 -10.455 1.00 0.00 C ATOM 0 H ILE A 84 -5.745 -2.549 -11.105 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.572 -3.139 -9.165 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.262 -5.094 -11.388 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.275 -6.544 -9.449 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.510 -5.013 -8.628 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.991 -6.661 -9.909 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.034 -5.208 -10.287 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.824 -5.366 -8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.522 -5.619 -9.947 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.776 -4.138 -10.594 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.537 -5.693 -11.427 1.00 0.00 H new ATOM 1143 N PRO A 85 -2.837 -1.563 -11.083 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.043 -0.858 -12.118 1.00 0.00 C ATOM 1145 C PRO A 85 -0.611 -1.399 -12.170 1.00 0.00 C ATOM 1146 O PRO A 85 -0.113 -1.938 -11.202 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.058 0.595 -11.653 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.287 0.528 -10.177 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.091 -0.719 -9.910 1.00 0.00 C ATOM 0 HA PRO A 85 -2.447 -0.986 -13.122 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.116 1.093 -11.884 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.847 1.160 -12.149 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.338 0.497 -9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.821 1.412 -9.829 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.774 -1.209 -8.989 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.152 -0.494 -9.802 1.00 0.00 H new ATOM 1157 N PRO A 86 0.001 -1.227 -13.309 1.00 0.00 N ATOM 1158 CA PRO A 86 1.396 -1.692 -13.511 1.00 0.00 C ATOM 1159 C PRO A 86 2.367 -0.812 -12.725 1.00 0.00 C ATOM 1160 O PRO A 86 1.968 0.089 -12.013 1.00 0.00 O ATOM 1161 CB PRO A 86 1.607 -1.537 -15.017 1.00 0.00 C ATOM 1162 CG PRO A 86 0.633 -0.485 -15.439 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.547 -0.583 -14.508 1.00 0.00 C ATOM 0 HA PRO A 86 1.567 -2.712 -13.166 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.631 -1.240 -15.243 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.425 -2.476 -15.540 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.086 0.505 -15.385 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.323 -0.638 -16.473 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.959 0.400 -14.280 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.353 -1.173 -14.945 1.00 0.00 H new ATOM 1171 N THR A 87 3.639 -1.069 -12.843 1.00 0.00 N ATOM 1172 CA THR A 87 4.636 -0.247 -12.094 1.00 0.00 C ATOM 1173 C THR A 87 4.938 1.057 -12.836 1.00 0.00 C ATOM 1174 O THR A 87 5.911 1.730 -12.561 1.00 0.00 O ATOM 1175 CB THR A 87 5.891 -1.110 -12.006 1.00 0.00 C ATOM 1176 OG1 THR A 87 6.014 -1.894 -13.185 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.800 -2.026 -10.785 1.00 0.00 C ATOM 0 H THR A 87 4.033 -1.810 -13.423 1.00 0.00 H new ATOM 0 HA THR A 87 4.262 0.033 -11.109 1.00 0.00 H new ATOM 0 HB THR A 87 6.766 -0.467 -11.908 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.821 -2.446 -13.128 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.698 -2.642 -10.724 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.713 -1.421 -9.882 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.925 -2.669 -10.877 1.00 0.00 H new ATOM 1185 N SER A 88 4.104 1.417 -13.761 1.00 0.00 N ATOM 1186 CA SER A 88 4.319 2.681 -14.521 1.00 0.00 C ATOM 1187 C SER A 88 3.468 3.798 -13.908 1.00 0.00 C ATOM 1188 O SER A 88 2.863 4.588 -14.604 1.00 0.00 O ATOM 1189 CB SER A 88 3.860 2.373 -15.945 1.00 0.00 C ATOM 1190 OG SER A 88 4.673 3.087 -16.867 1.00 0.00 O ATOM 0 H SER A 88 3.274 0.889 -14.029 1.00 0.00 H new ATOM 0 HA SER A 88 5.357 3.014 -14.498 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.927 1.302 -16.137 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.815 2.654 -16.071 1.00 0.00 H new ATOM 0 HG SER A 88 4.381 2.890 -17.781 1.00 0.00 H new ATOM 1196 N ALA A 89 3.416 3.857 -12.606 1.00 0.00 N ATOM 1197 CA ALA A 89 2.602 4.910 -11.931 1.00 0.00 C ATOM 1198 C ALA A 89 3.280 5.350 -10.637 1.00 0.00 C ATOM 1199 O ALA A 89 4.363 4.911 -10.308 1.00 0.00 O ATOM 1200 CB ALA A 89 1.263 4.239 -11.627 1.00 0.00 C ATOM 0 H ALA A 89 3.904 3.219 -11.977 1.00 0.00 H new ATOM 0 HA ALA A 89 2.484 5.800 -12.549 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.605 4.950 -11.128 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.802 3.909 -12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.426 3.379 -10.978 1.00 0.00 H new ATOM 1206 N THR A 90 2.646 6.218 -9.904 1.00 0.00 N ATOM 1207 CA THR A 90 3.250 6.697 -8.627 1.00 0.00 C ATOM 1208 C THR A 90 2.175 6.818 -7.542 1.00 0.00 C ATOM 1209 O THR A 90 1.058 7.226 -7.796 1.00 0.00 O ATOM 1210 CB THR A 90 3.837 8.070 -8.954 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.796 8.944 -9.369 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.868 7.933 -10.076 1.00 0.00 C ATOM 0 H THR A 90 1.736 6.618 -10.131 1.00 0.00 H new ATOM 0 HA THR A 90 4.007 6.010 -8.248 1.00 0.00 H new ATOM 0 HB THR A 90 4.321 8.478 -8.067 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.172 9.825 -9.577 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.286 8.913 -10.308 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.667 7.264 -9.756 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.387 7.524 -10.964 1.00 0.00 H new ATOM 1220 N MET A 91 2.505 6.463 -6.332 1.00 0.00 N ATOM 1221 CA MET A 91 1.504 6.553 -5.233 1.00 0.00 C ATOM 1222 C MET A 91 0.852 7.936 -5.231 1.00 0.00 C ATOM 1223 O MET A 91 -0.345 8.072 -5.071 1.00 0.00 O ATOM 1224 CB MET A 91 2.300 6.330 -3.945 1.00 0.00 C ATOM 1225 CG MET A 91 2.828 4.893 -3.912 1.00 0.00 C ATOM 1226 SD MET A 91 1.907 3.939 -2.682 1.00 0.00 S ATOM 1227 CE MET A 91 1.048 2.847 -3.841 1.00 0.00 C ATOM 0 H MET A 91 3.423 6.115 -6.057 1.00 0.00 H new ATOM 0 HA MET A 91 0.703 5.822 -5.343 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.130 7.035 -3.891 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.667 6.516 -3.077 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.725 4.434 -4.895 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.890 4.890 -3.669 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.143 2.459 -3.373 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.781 3.406 -4.738 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.701 2.017 -4.111 1.00 0.00 H new ATOM 1237 N GLY A 92 1.631 8.965 -5.410 1.00 0.00 N ATOM 1238 CA GLY A 92 1.056 10.340 -5.419 1.00 0.00 C ATOM 1239 C GLY A 92 -0.162 10.390 -6.338 1.00 0.00 C ATOM 1240 O GLY A 92 -1.201 10.908 -5.980 1.00 0.00 O ATOM 0 H GLY A 92 2.640 8.915 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.771 10.631 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.806 11.055 -5.757 1.00 0.00 H new ATOM 1244 N GLN A 93 -0.044 9.861 -7.521 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.203 9.888 -8.459 1.00 0.00 C ATOM 1246 C GLN A 93 -2.351 9.049 -7.890 1.00 0.00 C ATOM 1247 O GLN A 93 -3.510 9.343 -8.102 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.667 9.314 -9.785 1.00 0.00 C ATOM 1249 CG GLN A 93 -1.020 7.827 -9.925 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.572 7.327 -11.299 1.00 0.00 C ATOM 1251 OE1 GLN A 93 0.360 7.853 -11.875 1.00 0.00 O ATOM 1252 NE2 GLN A 93 -1.199 6.325 -11.853 1.00 0.00 N ATOM 0 H GLN A 93 0.799 9.413 -7.880 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.604 10.890 -8.609 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.087 9.871 -10.622 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.415 9.440 -9.829 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.532 7.250 -9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.094 7.684 -9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.981 5.883 -11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.907 5.984 -12.769 1.00 0.00 H new ATOM 1261 N LEU A 94 -2.040 8.010 -7.164 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.121 7.166 -6.585 1.00 0.00 C ATOM 1263 C LEU A 94 -3.886 7.950 -5.522 1.00 0.00 C ATOM 1264 O LEU A 94 -5.010 7.641 -5.196 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.402 5.955 -5.979 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.227 6.113 -4.463 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.509 5.677 -3.753 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.063 5.238 -3.999 1.00 0.00 C ATOM 0 H LEU A 94 -1.089 7.711 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.856 6.858 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.970 5.049 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.426 5.836 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.020 7.156 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.385 5.789 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.340 6.297 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.718 4.633 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.933 5.346 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.274 4.195 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.150 5.548 -4.507 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.285 8.952 -4.966 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.996 9.727 -3.921 1.00 0.00 C ATOM 1282 C TYR A 95 -5.392 10.111 -4.423 1.00 0.00 C ATOM 1283 O TYR A 95 -6.386 9.803 -3.802 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.130 10.965 -3.682 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.133 11.289 -2.211 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.864 10.283 -1.279 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.406 12.592 -1.779 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.871 10.578 0.090 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.412 12.889 -0.412 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.144 11.881 0.524 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.151 12.172 1.873 1.00 0.00 O ATOM 0 H TYR A 95 -2.340 9.269 -5.185 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.138 9.162 -3.000 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.112 10.784 -4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.514 11.809 -4.254 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.651 9.279 -1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.612 13.368 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.666 9.801 0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.623 13.894 -0.078 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.575 11.438 2.364 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.479 10.770 -5.543 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.818 11.162 -6.078 1.00 0.00 C ATOM 1303 C GLN A 96 -7.608 9.935 -6.558 1.00 0.00 C ATOM 1304 O GLN A 96 -8.804 10.002 -6.765 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.515 12.092 -7.253 1.00 0.00 C ATOM 1306 CG GLN A 96 -6.337 13.522 -6.739 1.00 0.00 C ATOM 1307 CD GLN A 96 -5.446 14.304 -7.705 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -5.915 15.172 -8.415 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -4.171 14.032 -7.763 1.00 0.00 N ATOM 0 H GLN A 96 -4.683 11.056 -6.113 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.431 11.640 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.611 11.764 -7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.327 12.054 -7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.307 14.010 -6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.890 13.509 -5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.777 13.304 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.568 14.548 -8.404 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.949 8.827 -6.772 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.666 7.615 -7.278 1.00 0.00 C ATOM 1320 C GLU A 97 -8.255 6.763 -6.140 1.00 0.00 C ATOM 1321 O GLU A 97 -9.455 6.596 -6.045 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.603 6.824 -8.042 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.550 7.312 -9.491 1.00 0.00 C ATOM 1324 CD GLU A 97 -7.290 6.321 -10.392 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -6.704 5.304 -10.727 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -8.429 6.595 -10.729 1.00 0.00 O ATOM 0 H GLU A 97 -5.948 8.707 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.517 7.895 -7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.629 6.950 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.836 5.759 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.004 8.300 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.514 7.410 -9.815 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.430 6.185 -5.308 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.952 5.310 -4.225 1.00 0.00 C ATOM 1335 C HIS A 98 -8.038 6.052 -2.884 1.00 0.00 C ATOM 1336 O HIS A 98 -7.790 5.489 -1.832 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.925 4.189 -4.163 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.881 3.494 -5.491 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -5.855 2.900 -6.172 1.00 0.00 N flip ATOM 1340 CD2 HIS A 98 -8.003 3.349 -6.290 1.00 0.00 C flip ATOM 1341 CE1 HIS A 98 -6.325 2.392 -7.380 1.00 0.00 C flip ATOM 1342 NE2 HIS A 98 -7.626 2.690 -7.400 1.00 0.00 N flip ATOM 0 H HIS A 98 -6.415 6.283 -5.334 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.966 4.960 -4.419 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.943 4.592 -3.916 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.187 3.482 -3.376 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -4.891 2.838 -5.845 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -8.999 3.701 -6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.759 1.870 -8.137 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.412 7.303 -2.917 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.543 8.082 -1.643 1.00 0.00 C ATOM 1352 C HIS A 99 -9.769 7.589 -0.859 1.00 0.00 C ATOM 1353 O HIS A 99 -10.556 6.807 -1.353 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.717 9.557 -2.057 1.00 0.00 C ATOM 1355 CG HIS A 99 -9.610 9.680 -3.265 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -10.558 8.723 -3.593 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -9.709 10.651 -4.232 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -11.181 9.136 -4.713 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -10.702 10.305 -5.144 1.00 0.00 N ATOM 0 H HIS A 99 -8.633 7.822 -3.767 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.672 7.959 -1.000 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.142 10.123 -1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.743 9.994 -2.275 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.749 7.863 -3.079 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.108 11.547 -4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.972 8.588 -5.203 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.640 9.324 4.375 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.602 8.438 3.767 1.00 0.00 C ATOM 1431 C PHE A 104 -6.209 7.605 2.635 1.00 0.00 C ATOM 1432 O PHE A 104 -7.384 7.701 2.340 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.135 7.524 4.903 1.00 0.00 C ATOM 1434 CG PHE A 104 -4.830 8.343 6.136 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.519 9.704 6.018 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -4.860 7.740 7.399 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -4.238 10.459 7.163 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -4.578 8.495 8.543 1.00 0.00 C ATOM 1439 CZ PHE A 104 -4.267 9.854 8.426 1.00 0.00 C ATOM 0 HA PHE A 104 -4.780 9.011 3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.906 6.787 5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.247 6.972 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.496 10.170 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.101 6.691 7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.999 11.508 7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.600 8.028 9.517 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.049 10.436 9.309 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.417 6.780 2.005 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.948 5.929 0.897 1.00 0.00 C ATOM 1451 C LEU A 105 -6.026 4.467 1.372 1.00 0.00 C ATOM 1452 O LEU A 105 -5.524 4.133 2.423 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.948 6.126 -0.262 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.930 4.982 -0.314 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.420 3.909 -1.289 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.581 5.525 -0.790 1.00 0.00 C ATOM 0 H LEU A 105 -4.425 6.657 2.208 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.956 6.197 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.488 6.179 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.427 7.075 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.818 4.547 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.697 3.094 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.383 3.524 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.530 4.343 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.855 4.713 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.693 5.958 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.233 6.291 -0.098 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.657 3.594 0.627 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.750 2.172 1.090 1.00 0.00 C ATOM 1470 C TYR A 106 -5.981 1.225 0.157 1.00 0.00 C ATOM 1471 O TYR A 106 -6.142 1.256 -1.045 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.246 1.815 1.090 1.00 0.00 C ATOM 1473 CG TYR A 106 -9.004 2.630 0.064 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.800 2.407 -1.303 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.912 3.609 0.485 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -9.504 3.164 -2.249 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -10.616 4.365 -0.459 1.00 0.00 C ATOM 1478 CZ TYR A 106 -10.412 4.142 -1.826 1.00 0.00 C ATOM 1479 OH TYR A 106 -11.106 4.887 -2.758 1.00 0.00 O ATOM 0 H TYR A 106 -7.105 3.797 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.307 2.064 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.369 0.753 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.665 1.992 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.100 1.652 -1.628 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.069 3.781 1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.346 2.993 -3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.316 5.120 -0.133 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.285 5.780 -2.395 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.152 0.373 0.712 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.382 -0.588 -0.133 1.00 0.00 C ATOM 1491 C ILE A 107 -4.277 -1.948 0.571 1.00 0.00 C ATOM 1492 O ILE A 107 -3.778 -2.046 1.673 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.994 0.032 -0.286 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.131 1.521 -0.609 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.244 -0.666 -1.422 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.748 2.115 -0.878 1.00 0.00 C ATOM 0 H ILE A 107 -4.977 0.303 1.714 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.863 -0.758 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.440 -0.089 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.772 1.657 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.607 2.042 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.254 -0.223 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.144 -1.727 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.799 -0.546 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.846 3.176 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.121 1.992 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.290 1.601 -1.723 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.733 -2.998 -0.056 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.643 -4.347 0.582 1.00 0.00 C ATOM 1510 C ALA A 108 -3.932 -5.314 -0.366 1.00 0.00 C ATOM 1511 O ALA A 108 -3.961 -5.139 -1.561 1.00 0.00 O ATOM 1512 CB ALA A 108 -6.092 -4.779 0.808 1.00 0.00 C ATOM 0 H ALA A 108 -5.164 -2.983 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.079 -4.334 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.109 -5.764 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.589 -4.060 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.612 -4.822 -0.149 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.289 -6.332 0.143 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.585 -7.280 -0.774 1.00 0.00 C ATOM 1520 C TYR A 109 -2.949 -8.729 -0.453 1.00 0.00 C ATOM 1521 O TYR A 109 -3.535 -9.028 0.568 1.00 0.00 O ATOM 1522 CB TYR A 109 -1.079 -7.052 -0.566 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.777 -6.726 0.881 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.131 -5.479 1.407 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.134 -7.669 1.695 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.846 -5.176 2.741 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.150 -7.363 3.030 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.206 -6.117 3.553 1.00 0.00 C ATOM 1529 OH TYR A 109 0.074 -5.814 4.870 1.00 0.00 O ATOM 0 H TYR A 109 -3.220 -6.547 1.138 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.877 -7.101 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.527 -7.943 -0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.739 -6.237 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.625 -4.750 0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.142 -8.632 1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.121 -4.213 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.645 -8.090 3.657 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.724 -5.436 5.295 1.00 0.00 H new ATOM 1539 N SER A 110 -2.602 -9.629 -1.333 1.00 0.00 N ATOM 1540 CA SER A 110 -2.921 -11.067 -1.103 1.00 0.00 C ATOM 1541 C SER A 110 -1.900 -11.953 -1.820 1.00 0.00 C ATOM 1542 O SER A 110 -0.976 -11.471 -2.442 1.00 0.00 O ATOM 1543 CB SER A 110 -4.312 -11.266 -1.703 1.00 0.00 C ATOM 1544 OG SER A 110 -4.995 -12.283 -0.980 1.00 0.00 O ATOM 0 H SER A 110 -2.110 -9.429 -2.204 1.00 0.00 H new ATOM 0 HA SER A 110 -2.891 -11.333 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.875 -10.334 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.231 -11.543 -2.754 1.00 0.00 H new ATOM 0 HG SER A 110 -5.888 -12.412 -1.362 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.062 -13.245 -1.741 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.098 -14.158 -2.422 1.00 0.00 C ATOM 1552 C ASP A 111 -1.445 -14.282 -3.908 1.00 0.00 C ATOM 1553 O ASP A 111 -0.585 -14.492 -4.740 1.00 0.00 O ATOM 1554 CB ASP A 111 -1.256 -15.513 -1.723 1.00 0.00 C ATOM 1555 CG ASP A 111 -1.367 -15.303 -0.211 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -2.468 -15.062 0.254 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -0.348 -15.385 0.454 1.00 0.00 O ATOM 0 H ASP A 111 -2.818 -13.708 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.075 -13.788 -2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.144 -16.024 -2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.402 -16.152 -1.950 1.00 0.00 H new