USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 733 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 55 TYR OH : rot 130:sc= 0.211 USER MOD Set 1.2: A 65 ASN : amide:sc= 0 X(o=0.21,f=0.21) USER MOD Set 2.1: A 58 MET CE :methyl -174:sc= -1.39 (180deg=-0.463) USER MOD Set 2.2: A 89 TYR OH : rot -30:sc= -0.537 USER MOD Set 3.1: A 56 TYR OH : rot -19:sc= 0.505 USER MOD Set 3.2: A 70 HIS :FLIP no HD1:sc= 0.244 F(o=-0.98,f=0.72) USER MOD Set 3.3: A 78 THR OG1 : rot 160:sc= -0.027 USER MOD Set 4.1: A 52 TYR OH : rot 30:sc= -0.921 USER MOD Set 4.2: A 76 GLN : amide:sc= -1.5 K(o=-2.4,f=-4.3!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -53:sc= 0.256 USER MOD Single : A 20 SER OG : rot 60:sc= -0.0142 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 157:sc= -5.88! (180deg=-6.31!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.045 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 38 GLN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.8 K(o=-0.8,f=-4.4!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 135:sc= -0.119 (180deg=-0.792) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= -0.0973 (180deg=-0.13) USER MOD Single : A 71 ASN : amide:sc=-0.00519 X(o=-0.0052,f=-0.023) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 44:sc= 0.0753 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 150:sc= 0.116 USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= 0.96 (180deg=0.516) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -79:sc= 1.35 USER MOD Single : A 106 SER OG : rot 180:sc= 0.101 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 112 THR OG1 : rot -173:sc= 1.06 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.260 21.019 1.158 1.00 0.00 N ATOM 187 CA GLN A 16 -4.115 20.533 0.082 1.00 0.00 C ATOM 188 C GLN A 16 -4.186 19.010 0.089 1.00 0.00 C ATOM 189 O GLN A 16 -3.604 18.354 0.953 1.00 0.00 O ATOM 190 CB GLN A 16 -3.596 21.025 -1.270 1.00 0.00 C ATOM 191 CG GLN A 16 -4.416 22.160 -1.861 1.00 0.00 C ATOM 192 CD GLN A 16 -4.166 23.484 -1.165 1.00 0.00 C ATOM 193 OE1 GLN A 16 -4.910 23.876 -0.265 1.00 0.00 O ATOM 194 NE2 GLN A 16 -3.114 24.181 -1.578 1.00 0.00 N ATOM 0 HA GLN A 16 -5.119 20.926 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.564 21.356 -1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.587 20.191 -1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.180 22.260 -2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.475 21.912 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.524 23.818 -2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.896 25.079 -1.146 1.00 0.00 H new ATOM 203 N ALA A 17 -4.904 18.451 -0.881 1.00 0.00 N ATOM 204 CA ALA A 17 -5.051 17.005 -0.986 1.00 0.00 C ATOM 205 C ALA A 17 -3.719 16.342 -1.322 1.00 0.00 C ATOM 206 O ALA A 17 -2.792 16.976 -1.828 1.00 0.00 O ATOM 207 CB ALA A 17 -6.095 16.656 -2.036 1.00 0.00 C ATOM 0 H ALA A 17 -5.392 18.978 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.383 16.627 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.195 15.573 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.054 17.092 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.786 17.053 -3.003 1.00 0.00 H new ATOM 213 N PRO A 18 -3.619 15.036 -1.035 1.00 0.00 N ATOM 214 CA PRO A 18 -2.403 14.258 -1.298 1.00 0.00 C ATOM 215 C PRO A 18 -2.162 14.050 -2.789 1.00 0.00 C ATOM 216 O PRO A 18 -3.000 13.484 -3.491 1.00 0.00 O ATOM 217 CB PRO A 18 -2.683 12.921 -0.609 1.00 0.00 C ATOM 218 CG PRO A 18 -4.168 12.812 -0.579 1.00 0.00 C ATOM 219 CD PRO A 18 -4.684 14.216 -0.432 1.00 0.00 C ATOM 0 HA PRO A 18 -1.508 14.761 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.237 12.092 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.264 12.899 0.397 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.544 12.352 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.497 12.187 0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.635 14.351 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.848 14.476 0.614 1.00 0.00 H new ATOM 227 N SER A 19 -1.009 14.509 -3.267 1.00 0.00 N ATOM 228 CA SER A 19 -0.657 14.375 -4.675 1.00 0.00 C ATOM 229 C SER A 19 0.500 13.398 -4.856 1.00 0.00 C ATOM 230 O SER A 19 1.388 13.616 -5.680 1.00 0.00 O ATOM 231 CB SER A 19 -0.285 15.738 -5.261 1.00 0.00 C ATOM 232 OG SER A 19 -0.236 15.688 -6.677 1.00 0.00 O ATOM 0 H SER A 19 -0.303 14.977 -2.699 1.00 0.00 H new ATOM 0 HA SER A 19 -1.525 13.984 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.014 16.484 -4.945 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.683 16.053 -4.871 1.00 0.00 H new ATOM 0 HG SER A 19 0.360 14.962 -6.958 1.00 0.00 H new ATOM 238 N SER A 20 0.483 12.320 -4.078 1.00 0.00 N ATOM 239 CA SER A 20 1.532 11.310 -4.148 1.00 0.00 C ATOM 240 C SER A 20 0.994 9.939 -3.754 1.00 0.00 C ATOM 241 O SER A 20 0.387 9.779 -2.695 1.00 0.00 O ATOM 242 CB SER A 20 2.701 11.693 -3.238 1.00 0.00 C ATOM 243 OG SER A 20 3.307 10.543 -2.674 1.00 0.00 O ATOM 0 H SER A 20 -0.246 12.124 -3.392 1.00 0.00 H new ATOM 0 HA SER A 20 1.885 11.260 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.441 12.255 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.347 12.348 -2.442 1.00 0.00 H new ATOM 0 HG SER A 20 3.643 9.965 -3.391 1.00 0.00 H new ATOM 249 N ALA A 21 1.220 8.951 -4.614 1.00 0.00 N ATOM 250 CA ALA A 21 0.761 7.592 -4.354 1.00 0.00 C ATOM 251 C ALA A 21 1.543 6.955 -3.211 1.00 0.00 C ATOM 252 O ALA A 21 2.677 7.333 -2.919 1.00 0.00 O ATOM 253 CB ALA A 21 0.879 6.746 -5.614 1.00 0.00 C ATOM 0 H ALA A 21 1.718 9.066 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.287 7.640 -4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.533 5.733 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.268 7.183 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.920 6.715 -5.935 1.00 0.00 H new ATOM 259 N PRO A 22 0.925 5.967 -2.548 1.00 0.00 N ATOM 260 CA PRO A 22 1.547 5.257 -1.426 1.00 0.00 C ATOM 261 C PRO A 22 2.702 4.369 -1.871 1.00 0.00 C ATOM 262 O PRO A 22 2.677 3.803 -2.963 1.00 0.00 O ATOM 263 CB PRO A 22 0.403 4.407 -0.867 1.00 0.00 C ATOM 264 CG PRO A 22 -0.522 4.211 -2.018 1.00 0.00 C ATOM 265 CD PRO A 22 -0.427 5.465 -2.843 1.00 0.00 C ATOM 0 HA PRO A 22 1.981 5.944 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.768 3.453 -0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.096 4.911 -0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.237 3.336 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.543 4.046 -1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.555 5.258 -3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.194 6.188 -2.564 1.00 0.00 H new ATOM 273 N ARG A 23 3.715 4.250 -1.017 1.00 0.00 N ATOM 274 CA ARG A 23 4.881 3.430 -1.322 1.00 0.00 C ATOM 275 C ARG A 23 4.930 2.199 -0.423 1.00 0.00 C ATOM 276 O ARG A 23 4.091 2.030 0.463 1.00 0.00 O ATOM 277 CB ARG A 23 6.162 4.248 -1.158 1.00 0.00 C ATOM 278 CG ARG A 23 6.086 5.633 -1.777 1.00 0.00 C ATOM 279 CD ARG A 23 7.361 6.424 -1.533 1.00 0.00 C ATOM 280 NE ARG A 23 7.786 6.360 -0.136 1.00 0.00 N ATOM 281 CZ ARG A 23 9.026 6.613 0.266 1.00 0.00 C ATOM 282 NH1 ARG A 23 9.958 6.948 -0.615 1.00 0.00 N ATOM 283 NH2 ARG A 23 9.336 6.534 1.554 1.00 0.00 N ATOM 0 H ARG A 23 3.751 4.712 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 23 4.801 3.098 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.386 4.346 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.991 3.703 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.911 5.544 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.236 6.173 -1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.155 6.038 -2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.202 7.464 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 23 7.093 6.107 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.724 7.012 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.909 7.142 -0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.622 6.279 2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.289 6.728 1.862 1.00 0.00 H new ATOM 297 N ASP A 24 5.917 1.341 -0.658 1.00 0.00 N ATOM 298 CA ASP A 24 6.077 0.124 0.131 1.00 0.00 C ATOM 299 C ASP A 24 4.795 -0.704 0.117 1.00 0.00 C ATOM 300 O ASP A 24 4.526 -1.465 1.046 1.00 0.00 O ATOM 301 CB ASP A 24 6.458 0.472 1.571 1.00 0.00 C ATOM 302 CG ASP A 24 7.617 -0.363 2.079 1.00 0.00 C ATOM 303 OD1 ASP A 24 8.669 -0.386 1.408 1.00 0.00 O ATOM 304 OD2 ASP A 24 7.472 -0.992 3.148 1.00 0.00 O ATOM 0 H ASP A 24 6.618 1.465 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 24 6.876 -0.468 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.721 1.528 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.594 0.323 2.219 1.00 0.00 H new ATOM 309 N VAL A 25 4.009 -0.550 -0.945 1.00 0.00 N ATOM 310 CA VAL A 25 2.757 -1.284 -1.079 1.00 0.00 C ATOM 311 C VAL A 25 3.002 -2.701 -1.584 1.00 0.00 C ATOM 312 O VAL A 25 3.280 -2.910 -2.765 1.00 0.00 O ATOM 313 CB VAL A 25 1.788 -0.568 -2.040 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.423 -1.241 -2.023 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.670 0.904 -1.679 1.00 0.00 C ATOM 0 H VAL A 25 4.217 0.076 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 25 2.308 -1.328 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 25 2.189 -0.639 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.247 -0.721 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.526 -2.280 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.012 -1.204 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.982 1.394 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.293 1.000 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.650 1.376 -1.749 1.00 0.00 H new ATOM 325 N GLN A 26 2.895 -3.671 -0.683 1.00 0.00 N ATOM 326 CA GLN A 26 3.106 -5.070 -1.038 1.00 0.00 C ATOM 327 C GLN A 26 2.166 -5.979 -0.253 1.00 0.00 C ATOM 328 O GLN A 26 1.907 -5.748 0.928 1.00 0.00 O ATOM 329 CB GLN A 26 4.559 -5.471 -0.776 1.00 0.00 C ATOM 330 CG GLN A 26 5.564 -4.694 -1.610 1.00 0.00 C ATOM 331 CD GLN A 26 6.999 -4.980 -1.212 1.00 0.00 C ATOM 332 OE1 GLN A 26 7.486 -6.100 -1.364 1.00 0.00 O ATOM 333 NE2 GLN A 26 7.684 -3.965 -0.697 1.00 0.00 N ATOM 0 H GLN A 26 2.664 -3.515 0.298 1.00 0.00 H new ATOM 0 HA GLN A 26 2.890 -5.185 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.783 -5.322 0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.676 -6.535 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.427 -4.943 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.368 -3.627 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.240 -3.053 -0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.654 -4.098 -0.410 1.00 0.00 H new ATOM 342 N ALA A 27 1.658 -7.012 -0.916 1.00 0.00 N ATOM 343 CA ALA A 27 0.748 -7.957 -0.280 1.00 0.00 C ATOM 344 C ALA A 27 1.393 -9.331 -0.142 1.00 0.00 C ATOM 345 O ALA A 27 1.817 -9.930 -1.131 1.00 0.00 O ATOM 346 CB ALA A 27 -0.547 -8.055 -1.071 1.00 0.00 C ATOM 0 H ALA A 27 1.861 -7.216 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 27 0.522 -7.590 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.217 -8.764 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.023 -7.075 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.330 -8.396 -2.083 1.00 0.00 H new ATOM 352 N ARG A 28 1.463 -9.827 1.090 1.00 0.00 N ATOM 353 CA ARG A 28 2.058 -11.130 1.357 1.00 0.00 C ATOM 354 C ARG A 28 1.031 -12.082 1.963 1.00 0.00 C ATOM 355 O ARG A 28 0.353 -11.743 2.933 1.00 0.00 O ATOM 356 CB ARG A 28 3.254 -10.985 2.299 1.00 0.00 C ATOM 357 CG ARG A 28 2.953 -10.167 3.544 1.00 0.00 C ATOM 358 CD ARG A 28 4.110 -10.206 4.530 1.00 0.00 C ATOM 359 NE ARG A 28 5.310 -9.575 3.990 1.00 0.00 N ATOM 360 CZ ARG A 28 6.399 -9.330 4.711 1.00 0.00 C ATOM 361 NH1 ARG A 28 6.437 -9.660 5.994 1.00 0.00 N ATOM 362 NH2 ARG A 28 7.453 -8.751 4.148 1.00 0.00 N ATOM 0 H ARG A 28 1.115 -9.345 1.919 1.00 0.00 H new ATOM 0 HA ARG A 28 2.400 -11.547 0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.592 -11.977 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.077 -10.518 1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.749 -9.134 3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.052 -10.550 4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.818 -9.702 5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.330 -11.241 4.790 1.00 0.00 H new ATOM 0 HE ARG A 28 5.313 -9.308 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.629 -10.103 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.274 -9.471 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.427 -8.494 3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.288 -8.563 4.702 1.00 0.00 H new ATOM 376 N MET A 29 0.922 -13.273 1.385 1.00 0.00 N ATOM 377 CA MET A 29 -0.022 -14.274 1.868 1.00 0.00 C ATOM 378 C MET A 29 0.498 -14.942 3.138 1.00 0.00 C ATOM 379 O MET A 29 1.670 -15.311 3.222 1.00 0.00 O ATOM 380 CB MET A 29 -0.277 -15.329 0.790 1.00 0.00 C ATOM 381 CG MET A 29 -1.614 -15.169 0.086 1.00 0.00 C ATOM 382 SD MET A 29 -3.015 -15.429 1.192 1.00 0.00 S ATOM 383 CE MET A 29 -3.882 -16.744 0.336 1.00 0.00 C ATOM 0 H MET A 29 1.476 -13.569 0.581 1.00 0.00 H new ATOM 0 HA MET A 29 -0.960 -13.770 2.101 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.522 -15.281 0.050 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.231 -16.319 1.244 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.676 -14.170 -0.345 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.672 -15.877 -0.741 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.506 -17.289 1.044 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.509 -16.317 -0.447 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.159 -17.426 -0.110 1.00 0.00 H new ATOM 393 N LEU A 30 -0.382 -15.095 4.122 1.00 0.00 N ATOM 394 CA LEU A 30 -0.011 -15.718 5.388 1.00 0.00 C ATOM 395 C LEU A 30 -0.801 -17.003 5.612 1.00 0.00 C ATOM 396 O LEU A 30 -0.341 -17.915 6.302 1.00 0.00 O ATOM 397 CB LEU A 30 -0.253 -14.749 6.546 1.00 0.00 C ATOM 398 CG LEU A 30 0.360 -13.356 6.395 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.080 -12.453 7.536 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.878 -13.444 6.337 1.00 0.00 C ATOM 0 H LEU A 30 -1.356 -14.797 4.068 1.00 0.00 H new ATOM 0 HA LEU A 30 1.049 -15.966 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.329 -14.638 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.138 -15.199 7.458 1.00 0.00 H new ATOM 0 HG LEU A 30 0.005 -12.924 5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.366 -11.466 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.166 -12.364 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.244 -12.881 8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.297 -12.443 6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.252 -13.897 7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.175 -14.055 5.484 1.00 0.00 H new ATOM 412 N SER A 31 -1.991 -17.072 5.024 1.00 0.00 N ATOM 413 CA SER A 31 -2.844 -18.246 5.161 1.00 0.00 C ATOM 414 C SER A 31 -3.474 -18.621 3.822 1.00 0.00 C ATOM 415 O SER A 31 -3.096 -18.089 2.778 1.00 0.00 O ATOM 416 CB SER A 31 -3.940 -17.988 6.197 1.00 0.00 C ATOM 417 OG SER A 31 -4.005 -19.040 7.145 1.00 0.00 O ATOM 0 H SER A 31 -2.386 -16.329 4.448 1.00 0.00 H new ATOM 0 HA SER A 31 -2.224 -19.077 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.746 -17.045 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.902 -17.887 5.695 1.00 0.00 H new ATOM 0 HG SER A 31 -4.712 -18.850 7.797 1.00 0.00 H new ATOM 423 N SER A 32 -4.433 -19.539 3.862 1.00 0.00 N ATOM 424 CA SER A 32 -5.113 -19.987 2.653 1.00 0.00 C ATOM 425 C SER A 32 -6.191 -18.992 2.234 1.00 0.00 C ATOM 426 O SER A 32 -6.595 -18.949 1.072 1.00 0.00 O ATOM 427 CB SER A 32 -5.735 -21.367 2.874 1.00 0.00 C ATOM 428 OG SER A 32 -6.386 -21.438 4.130 1.00 0.00 O ATOM 0 H SER A 32 -4.757 -19.988 4.719 1.00 0.00 H new ATOM 0 HA SER A 32 -4.374 -20.053 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.449 -21.579 2.078 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.960 -22.132 2.819 1.00 0.00 H new ATOM 0 HG SER A 32 -6.777 -22.329 4.246 1.00 0.00 H new ATOM 434 N THR A 33 -6.653 -18.194 3.191 1.00 0.00 N ATOM 435 CA THR A 33 -7.686 -17.199 2.924 1.00 0.00 C ATOM 436 C THR A 33 -7.463 -15.940 3.753 1.00 0.00 C ATOM 437 O THR A 33 -8.417 -15.301 4.199 1.00 0.00 O ATOM 438 CB THR A 33 -9.091 -17.755 3.220 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.093 -18.434 4.480 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.538 -18.709 2.123 1.00 0.00 C ATOM 0 H THR A 33 -6.329 -18.217 4.158 1.00 0.00 H new ATOM 0 HA THR A 33 -7.619 -16.949 1.865 1.00 0.00 H new ATOM 0 HB THR A 33 -9.788 -16.918 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.990 -18.783 4.662 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.533 -19.089 2.354 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.564 -18.181 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.838 -19.542 2.058 1.00 0.00 H new ATOM 448 N THR A 34 -6.198 -15.586 3.959 1.00 0.00 N ATOM 449 CA THR A 34 -5.851 -14.403 4.736 1.00 0.00 C ATOM 450 C THR A 34 -4.639 -13.692 4.144 1.00 0.00 C ATOM 451 O THR A 34 -3.565 -14.281 4.018 1.00 0.00 O ATOM 452 CB THR A 34 -5.556 -14.763 6.205 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.082 -16.059 6.507 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.160 -13.732 7.146 1.00 0.00 C ATOM 0 H THR A 34 -5.396 -16.103 3.598 1.00 0.00 H new ATOM 0 HA THR A 34 -6.712 -13.736 4.699 1.00 0.00 H new ATOM 0 HB THR A 34 -4.475 -14.770 6.345 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.889 -16.281 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.939 -14.007 8.177 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.735 -12.751 6.933 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.240 -13.698 7.003 1.00 0.00 H new ATOM 462 N ILE A 35 -4.819 -12.427 3.785 1.00 0.00 N ATOM 463 CA ILE A 35 -3.739 -11.637 3.208 1.00 0.00 C ATOM 464 C ILE A 35 -3.408 -10.434 4.084 1.00 0.00 C ATOM 465 O ILE A 35 -4.213 -10.022 4.922 1.00 0.00 O ATOM 466 CB ILE A 35 -4.094 -11.143 1.793 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.309 -10.215 1.844 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.361 -12.325 0.871 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.607 -9.537 0.524 1.00 0.00 C ATOM 0 H ILE A 35 -5.702 -11.926 3.883 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.869 -12.291 3.148 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.248 -10.582 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.182 -10.789 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.142 -9.453 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.611 -11.960 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.471 -12.952 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.193 -12.911 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.481 -8.895 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.750 -8.935 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.806 -10.292 -0.236 1.00 0.00 H new ATOM 481 N LEU A 36 -2.221 -9.871 3.888 1.00 0.00 N ATOM 482 CA LEU A 36 -1.785 -8.714 4.660 1.00 0.00 C ATOM 483 C LEU A 36 -1.247 -7.620 3.743 1.00 0.00 C ATOM 484 O LEU A 36 -0.306 -7.840 2.981 1.00 0.00 O ATOM 485 CB LEU A 36 -0.710 -9.124 5.668 1.00 0.00 C ATOM 486 CG LEU A 36 -0.393 -8.105 6.762 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.063 -8.810 8.069 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.756 -7.203 6.337 1.00 0.00 C ATOM 0 H LEU A 36 -1.543 -10.198 3.200 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.648 -8.321 5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.022 -10.053 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.209 -9.339 5.122 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.276 -7.485 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.160 -8.068 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.916 -9.412 8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.804 -9.455 7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.967 -6.484 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.643 -7.808 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.482 -6.670 5.427 1.00 0.00 H new ATOM 500 N VAL A 37 -1.851 -6.437 3.824 1.00 0.00 N ATOM 501 CA VAL A 37 -1.431 -5.308 3.003 1.00 0.00 C ATOM 502 C VAL A 37 -0.767 -4.229 3.853 1.00 0.00 C ATOM 503 O VAL A 37 -1.389 -3.660 4.749 1.00 0.00 O ATOM 504 CB VAL A 37 -2.621 -4.689 2.247 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.139 -3.638 1.258 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.421 -5.772 1.538 1.00 0.00 C ATOM 0 H VAL A 37 -2.632 -6.237 4.449 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.712 -5.693 2.280 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.273 -4.200 2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.995 -3.212 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.612 -2.848 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.464 -4.099 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.259 -5.318 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.780 -6.291 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.799 -6.484 2.271 1.00 0.00 H new ATOM 516 N GLN A 38 0.502 -3.953 3.563 1.00 0.00 N ATOM 517 CA GLN A 38 1.249 -2.942 4.302 1.00 0.00 C ATOM 518 C GLN A 38 1.901 -1.944 3.350 1.00 0.00 C ATOM 519 O GLN A 38 2.416 -2.322 2.297 1.00 0.00 O ATOM 520 CB GLN A 38 2.317 -3.604 5.174 1.00 0.00 C ATOM 521 CG GLN A 38 3.269 -4.501 4.399 1.00 0.00 C ATOM 522 CD GLN A 38 3.929 -5.546 5.274 1.00 0.00 C ATOM 523 OE1 GLN A 38 4.013 -6.719 4.906 1.00 0.00 O ATOM 524 NE2 GLN A 38 4.404 -5.127 6.442 1.00 0.00 N ATOM 0 H GLN A 38 1.032 -4.414 2.824 1.00 0.00 H new ATOM 0 HA GLN A 38 0.549 -2.404 4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.893 -2.829 5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.827 -4.193 5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.723 -4.997 3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.038 -3.888 3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.313 -4.146 6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.860 -5.786 7.073 1.00 0.00 H new ATOM 533 N TRP A 39 1.876 -0.672 3.727 1.00 0.00 N ATOM 534 CA TRP A 39 2.464 0.380 2.906 1.00 0.00 C ATOM 535 C TRP A 39 2.959 1.534 3.772 1.00 0.00 C ATOM 536 O TRP A 39 2.773 1.535 4.989 1.00 0.00 O ATOM 537 CB TRP A 39 1.443 0.892 1.889 1.00 0.00 C ATOM 538 CG TRP A 39 0.232 1.508 2.520 1.00 0.00 C ATOM 539 CD1 TRP A 39 0.105 2.791 2.973 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.023 0.868 2.771 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.152 2.986 3.490 1.00 0.00 N ATOM 542 CE2 TRP A 39 -1.865 1.821 3.377 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.520 -0.420 2.540 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.173 1.525 3.756 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -2.817 -0.711 2.917 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.631 0.259 3.518 1.00 0.00 C ATOM 0 H TRP A 39 1.455 -0.343 4.596 1.00 0.00 H new ATOM 0 HA TRP A 39 3.316 -0.043 2.374 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.922 1.629 1.244 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.130 0.065 1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.880 3.542 2.931 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.499 3.857 3.893 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.901 -1.173 2.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.802 2.269 4.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.210 -1.702 2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.641 0.001 3.799 1.00 0.00 H new ATOM 557 N LYS A 40 3.591 2.515 3.138 1.00 0.00 N ATOM 558 CA LYS A 40 4.112 3.676 3.850 1.00 0.00 C ATOM 559 C LYS A 40 3.367 4.943 3.443 1.00 0.00 C ATOM 560 O LYS A 40 2.634 4.952 2.455 1.00 0.00 O ATOM 561 CB LYS A 40 5.609 3.841 3.572 1.00 0.00 C ATOM 562 CG LYS A 40 6.497 3.156 4.597 1.00 0.00 C ATOM 563 CD LYS A 40 7.964 3.466 4.358 1.00 0.00 C ATOM 564 CE LYS A 40 8.752 3.469 5.660 1.00 0.00 C ATOM 565 NZ LYS A 40 10.101 4.073 5.490 1.00 0.00 N ATOM 0 H LYS A 40 3.755 2.530 2.131 1.00 0.00 H new ATOM 0 HA LYS A 40 3.962 3.514 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.833 3.440 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.850 4.904 3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.214 3.479 5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.340 2.078 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.387 2.727 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.057 4.437 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.199 4.023 6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.855 2.447 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.606 4.056 6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.639 3.529 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.003 5.057 5.167 1.00 0.00 H new ATOM 579 N GLU A 41 3.560 6.012 4.212 1.00 0.00 N ATOM 580 CA GLU A 41 2.906 7.283 3.930 1.00 0.00 C ATOM 581 C GLU A 41 3.429 7.888 2.630 1.00 0.00 C ATOM 582 O GLU A 41 4.515 7.554 2.154 1.00 0.00 O ATOM 583 CB GLU A 41 3.126 8.262 5.086 1.00 0.00 C ATOM 584 CG GLU A 41 1.915 8.414 5.993 1.00 0.00 C ATOM 585 CD GLU A 41 2.295 8.769 7.418 1.00 0.00 C ATOM 586 OE1 GLU A 41 3.236 8.146 7.953 1.00 0.00 O ATOM 587 OE2 GLU A 41 1.651 9.669 7.995 1.00 0.00 O ATOM 0 H GLU A 41 4.164 6.021 5.034 1.00 0.00 H new ATOM 0 HA GLU A 41 1.838 7.096 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.975 7.924 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.390 9.238 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.260 9.188 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.347 7.484 5.993 1.00 0.00 H new ATOM 594 N PRO A 42 2.640 8.799 2.043 1.00 0.00 N ATOM 595 CA PRO A 42 3.002 9.471 0.791 1.00 0.00 C ATOM 596 C PRO A 42 4.161 10.445 0.970 1.00 0.00 C ATOM 597 O PRO A 42 4.537 10.777 2.094 1.00 0.00 O ATOM 598 CB PRO A 42 1.725 10.223 0.409 1.00 0.00 C ATOM 599 CG PRO A 42 1.013 10.440 1.700 1.00 0.00 C ATOM 600 CD PRO A 42 1.334 9.245 2.556 1.00 0.00 C ATOM 0 HA PRO A 42 3.339 8.765 0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.954 11.169 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.117 9.644 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.343 11.362 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.062 10.530 1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.386 9.510 3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.577 8.467 2.459 1.00 0.00 H new ATOM 608 N GLU A 43 4.721 10.901 -0.145 1.00 0.00 N ATOM 609 CA GLU A 43 5.839 11.839 -0.109 1.00 0.00 C ATOM 610 C GLU A 43 5.339 13.279 -0.066 1.00 0.00 C ATOM 611 O GLU A 43 6.031 14.174 0.422 1.00 0.00 O ATOM 612 CB GLU A 43 6.740 11.639 -1.328 1.00 0.00 C ATOM 613 CG GLU A 43 5.997 11.688 -2.651 1.00 0.00 C ATOM 614 CD GLU A 43 6.847 12.245 -3.779 1.00 0.00 C ATOM 615 OE1 GLU A 43 8.069 12.401 -3.579 1.00 0.00 O ATOM 616 OE2 GLU A 43 6.288 12.524 -4.860 1.00 0.00 O ATOM 0 H GLU A 43 4.421 10.638 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 43 6.414 11.644 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.513 12.407 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.246 10.677 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.664 10.684 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.103 12.301 -2.538 1.00 0.00 H new ATOM 623 N GLU A 44 4.131 13.496 -0.579 1.00 0.00 N ATOM 624 CA GLU A 44 3.540 14.830 -0.600 1.00 0.00 C ATOM 625 C GLU A 44 2.140 14.812 0.008 1.00 0.00 C ATOM 626 O GLU A 44 1.131 14.913 -0.690 1.00 0.00 O ATOM 627 CB GLU A 44 3.479 15.362 -2.033 1.00 0.00 C ATOM 628 CG GLU A 44 3.531 16.878 -2.122 1.00 0.00 C ATOM 629 CD GLU A 44 4.878 17.388 -2.595 1.00 0.00 C ATOM 630 OE1 GLU A 44 5.266 17.068 -3.738 1.00 0.00 O ATOM 631 OE2 GLU A 44 5.544 18.109 -1.822 1.00 0.00 O ATOM 0 H GLU A 44 3.544 12.767 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 44 4.169 15.489 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.309 14.944 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.561 15.010 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.755 17.225 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.309 17.304 -1.143 1.00 0.00 H new ATOM 638 N PRO A 45 2.077 14.681 1.342 1.00 0.00 N ATOM 639 CA PRO A 45 0.807 14.648 2.074 1.00 0.00 C ATOM 640 C PRO A 45 0.016 15.943 1.923 1.00 0.00 C ATOM 641 O PRO A 45 -1.159 15.924 1.558 1.00 0.00 O ATOM 642 CB PRO A 45 1.241 14.452 3.529 1.00 0.00 C ATOM 643 CG PRO A 45 2.664 14.894 3.561 1.00 0.00 C ATOM 644 CD PRO A 45 3.239 14.556 2.237 1.00 0.00 C ATOM 0 HA PRO A 45 0.144 13.866 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.627 15.043 4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.143 13.410 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.733 15.965 3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.209 14.391 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.042 15.238 1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.657 13.549 2.221 1.00 0.00 H new ATOM 652 N ASN A 46 0.668 17.065 2.207 1.00 0.00 N ATOM 653 CA ASN A 46 0.025 18.371 2.103 1.00 0.00 C ATOM 654 C ASN A 46 -1.126 18.490 3.097 1.00 0.00 C ATOM 655 O ASN A 46 -2.058 19.267 2.894 1.00 0.00 O ATOM 656 CB ASN A 46 -0.489 18.597 0.680 1.00 0.00 C ATOM 657 CG ASN A 46 0.536 18.220 -0.371 1.00 0.00 C ATOM 658 OD1 ASN A 46 1.682 18.669 -0.326 1.00 0.00 O ATOM 659 ND2 ASN A 46 0.128 17.392 -1.326 1.00 0.00 N ATOM 0 H ASN A 46 1.641 17.097 2.511 1.00 0.00 H new ATOM 0 HA ASN A 46 0.766 19.134 2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.395 18.011 0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.763 19.645 0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.774 17.104 -2.061 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.831 17.044 -1.324 1.00 0.00 H new ATOM 666 N GLY A 47 -1.055 17.714 4.174 1.00 0.00 N ATOM 667 CA GLY A 47 -2.097 17.748 5.184 1.00 0.00 C ATOM 668 C GLY A 47 -2.083 16.519 6.073 1.00 0.00 C ATOM 669 O GLY A 47 -1.395 15.543 5.780 1.00 0.00 O ATOM 0 H GLY A 47 -0.294 17.062 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.973 18.639 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.069 17.829 4.697 1.00 0.00 H new ATOM 673 N GLN A 48 -2.847 16.570 7.160 1.00 0.00 N ATOM 674 CA GLN A 48 -2.917 15.453 8.095 1.00 0.00 C ATOM 675 C GLN A 48 -3.720 14.299 7.504 1.00 0.00 C ATOM 676 O GLN A 48 -4.920 14.426 7.258 1.00 0.00 O ATOM 677 CB GLN A 48 -3.546 15.904 9.415 1.00 0.00 C ATOM 678 CG GLN A 48 -2.538 16.084 10.539 1.00 0.00 C ATOM 679 CD GLN A 48 -2.987 17.100 11.568 1.00 0.00 C ATOM 680 OE1 GLN A 48 -2.638 18.278 11.488 1.00 0.00 O ATOM 681 NE2 GLN A 48 -3.767 16.650 12.545 1.00 0.00 N ATOM 0 H GLN A 48 -3.425 17.371 7.414 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.901 15.106 8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.071 16.846 9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.292 15.171 9.721 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.372 15.125 11.030 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.582 16.397 10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.032 15.666 12.573 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.100 17.289 13.267 1.00 0.00 H new ATOM 690 N ILE A 49 -3.051 13.173 7.279 1.00 0.00 N ATOM 691 CA ILE A 49 -3.702 11.997 6.717 1.00 0.00 C ATOM 692 C ILE A 49 -4.719 11.414 7.693 1.00 0.00 C ATOM 693 O ILE A 49 -4.360 10.949 8.775 1.00 0.00 O ATOM 694 CB ILE A 49 -2.677 10.907 6.351 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.663 11.450 5.343 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.386 9.683 5.790 1.00 0.00 C ATOM 697 CD1 ILE A 49 -2.274 11.828 4.011 1.00 0.00 C ATOM 0 H ILE A 49 -2.058 13.051 7.478 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.214 12.322 5.811 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.142 10.612 7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.173 12.325 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.890 10.700 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.650 8.921 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.075 9.287 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.942 9.963 4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.496 12.205 3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.740 10.951 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.027 12.601 4.163 1.00 0.00 H new ATOM 709 N GLN A 50 -5.990 11.440 7.301 1.00 0.00 N ATOM 710 CA GLN A 50 -7.058 10.912 8.141 1.00 0.00 C ATOM 711 C GLN A 50 -7.167 9.398 7.998 1.00 0.00 C ATOM 712 O GLN A 50 -7.634 8.711 8.905 1.00 0.00 O ATOM 713 CB GLN A 50 -8.391 11.569 7.778 1.00 0.00 C ATOM 714 CG GLN A 50 -8.360 13.087 7.840 1.00 0.00 C ATOM 715 CD GLN A 50 -8.262 13.610 9.259 1.00 0.00 C ATOM 716 OE1 GLN A 50 -8.606 12.915 10.215 1.00 0.00 O ATOM 717 NE2 GLN A 50 -7.790 14.843 9.405 1.00 0.00 N ATOM 0 H GLN A 50 -6.304 11.821 6.408 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.818 11.142 9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.676 11.261 6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.163 11.202 8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.511 13.453 7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.260 13.485 7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.516 15.385 8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.701 15.248 10.337 1.00 0.00 H new ATOM 726 N GLY A 51 -6.732 8.884 6.851 1.00 0.00 N ATOM 727 CA GLY A 51 -6.790 7.455 6.609 1.00 0.00 C ATOM 728 C GLY A 51 -6.446 7.094 5.178 1.00 0.00 C ATOM 729 O GLY A 51 -5.852 7.894 4.454 1.00 0.00 O ATOM 0 H GLY A 51 -6.340 9.433 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.101 6.947 7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.791 7.091 6.842 1.00 0.00 H new ATOM 733 N TYR A 52 -6.817 5.886 4.767 1.00 0.00 N ATOM 734 CA TYR A 52 -6.541 5.420 3.414 1.00 0.00 C ATOM 735 C TYR A 52 -7.672 4.533 2.902 1.00 0.00 C ATOM 736 O TYR A 52 -8.615 4.228 3.632 1.00 0.00 O ATOM 737 CB TYR A 52 -5.219 4.652 3.378 1.00 0.00 C ATOM 738 CG TYR A 52 -4.073 5.387 4.036 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.844 5.276 5.403 1.00 0.00 C ATOM 740 CD2 TYR A 52 -3.220 6.193 3.293 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.799 5.946 6.009 1.00 0.00 C ATOM 742 CE2 TYR A 52 -2.172 6.865 3.891 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.966 6.739 5.248 1.00 0.00 C ATOM 744 OH TYR A 52 -0.924 7.408 5.849 1.00 0.00 O ATOM 0 H TYR A 52 -7.310 5.212 5.353 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.465 6.292 2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.354 3.690 3.872 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.958 4.444 2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.494 4.655 6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.379 6.296 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.635 5.849 7.072 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.517 7.486 3.298 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.611 6.897 6.625 1.00 0.00 H new ATOM 754 N ARG A 53 -7.568 4.122 1.642 1.00 0.00 N ATOM 755 CA ARG A 53 -8.581 3.271 1.031 1.00 0.00 C ATOM 756 C ARG A 53 -7.934 2.148 0.227 1.00 0.00 C ATOM 757 O ARG A 53 -6.991 2.376 -0.532 1.00 0.00 O ATOM 758 CB ARG A 53 -9.496 4.100 0.126 1.00 0.00 C ATOM 759 CG ARG A 53 -10.854 3.463 -0.114 1.00 0.00 C ATOM 760 CD ARG A 53 -11.969 4.496 -0.077 1.00 0.00 C ATOM 761 NE ARG A 53 -11.887 5.430 -1.197 1.00 0.00 N ATOM 762 CZ ARG A 53 -12.603 6.545 -1.278 1.00 0.00 C ATOM 763 NH1 ARG A 53 -13.449 6.865 -0.309 1.00 0.00 N ATOM 764 NH2 ARG A 53 -12.473 7.344 -2.329 1.00 0.00 N ATOM 0 H ARG A 53 -6.793 4.365 1.025 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.176 2.827 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.639 5.084 0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.002 4.254 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.855 2.960 -1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.038 2.700 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.934 3.989 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.920 5.049 0.861 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.244 5.214 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.551 6.254 0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.998 7.722 -0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.822 7.102 -3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.024 8.200 -2.390 1.00 0.00 H new ATOM 778 N VAL A 54 -8.446 0.933 0.398 1.00 0.00 N ATOM 779 CA VAL A 54 -7.918 -0.226 -0.311 1.00 0.00 C ATOM 780 C VAL A 54 -8.961 -0.814 -1.256 1.00 0.00 C ATOM 781 O VAL A 54 -10.057 -1.186 -0.834 1.00 0.00 O ATOM 782 CB VAL A 54 -7.454 -1.320 0.668 1.00 0.00 C ATOM 783 CG1 VAL A 54 -6.734 -2.434 -0.077 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.561 -0.725 1.746 1.00 0.00 C ATOM 0 H VAL A 54 -9.226 0.726 1.022 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.061 0.120 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.333 -1.748 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.414 -3.198 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.409 -2.878 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.863 -2.025 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.242 -1.512 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.686 -0.270 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.115 0.034 2.299 1.00 0.00 H new ATOM 794 N TYR A 55 -8.613 -0.894 -2.535 1.00 0.00 N ATOM 795 CA TYR A 55 -9.521 -1.434 -3.541 1.00 0.00 C ATOM 796 C TYR A 55 -9.123 -2.857 -3.923 1.00 0.00 C ATOM 797 O TYR A 55 -8.044 -3.088 -4.471 1.00 0.00 O ATOM 798 CB TYR A 55 -9.526 -0.544 -4.784 1.00 0.00 C ATOM 799 CG TYR A 55 -10.108 0.831 -4.541 1.00 0.00 C ATOM 800 CD1 TYR A 55 -9.439 1.761 -3.755 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.327 1.200 -5.098 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.967 3.017 -3.529 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.861 2.455 -4.878 1.00 0.00 C ATOM 804 CZ TYR A 55 -11.177 3.360 -4.093 1.00 0.00 C ATOM 805 OH TYR A 55 -11.707 4.610 -3.872 1.00 0.00 O ATOM 0 H TYR A 55 -7.710 -0.592 -2.900 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.524 -1.457 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.504 -0.438 -5.149 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.096 -1.037 -5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.490 1.497 -3.313 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.865 0.494 -5.713 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.434 3.727 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.809 2.726 -5.318 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.966 5.012 -4.728 1.00 0.00 H new ATOM 815 N TYR A 56 -10.004 -3.808 -3.632 1.00 0.00 N ATOM 816 CA TYR A 56 -9.748 -5.210 -3.942 1.00 0.00 C ATOM 817 C TYR A 56 -11.042 -5.936 -4.296 1.00 0.00 C ATOM 818 O TYR A 56 -12.037 -5.844 -3.575 1.00 0.00 O ATOM 819 CB TYR A 56 -9.069 -5.900 -2.759 1.00 0.00 C ATOM 820 CG TYR A 56 -9.987 -6.116 -1.576 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.280 -5.078 -0.701 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.561 -7.358 -1.336 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.118 -5.271 0.382 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.401 -7.560 -0.257 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.675 -6.513 0.598 1.00 0.00 C ATOM 826 OH TYR A 56 -12.512 -6.709 1.674 1.00 0.00 O ATOM 0 H TYR A 56 -10.902 -3.633 -3.182 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.084 -5.249 -4.806 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.679 -6.864 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.215 -5.302 -2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.846 -4.103 -0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.347 -8.180 -2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.335 -4.454 1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -11.840 -8.532 -0.085 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.370 -5.997 2.333 1.00 0.00 H new ATOM 836 N THR A 57 -11.022 -6.659 -5.410 1.00 0.00 N ATOM 837 CA THR A 57 -12.193 -7.400 -5.862 1.00 0.00 C ATOM 838 C THR A 57 -11.805 -8.485 -6.859 1.00 0.00 C ATOM 839 O THR A 57 -10.948 -8.274 -7.718 1.00 0.00 O ATOM 840 CB THR A 57 -13.233 -6.469 -6.512 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.467 -7.169 -6.702 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.730 -5.944 -7.847 1.00 0.00 C ATOM 0 H THR A 57 -10.207 -6.748 -6.017 1.00 0.00 H new ATOM 0 HA THR A 57 -12.634 -7.862 -4.979 1.00 0.00 H new ATOM 0 HB THR A 57 -13.396 -5.622 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.123 -6.569 -7.114 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.482 -5.289 -8.287 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.807 -5.385 -7.694 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.540 -6.781 -8.519 1.00 0.00 H new ATOM 850 N MET A 58 -12.442 -9.645 -6.744 1.00 0.00 N ATOM 851 CA MET A 58 -12.165 -10.763 -7.638 1.00 0.00 C ATOM 852 C MET A 58 -12.564 -10.423 -9.071 1.00 0.00 C ATOM 853 O MET A 58 -12.078 -11.038 -10.022 1.00 0.00 O ATOM 854 CB MET A 58 -12.910 -12.015 -7.172 1.00 0.00 C ATOM 855 CG MET A 58 -14.403 -11.798 -6.982 1.00 0.00 C ATOM 856 SD MET A 58 -15.320 -13.347 -6.866 1.00 0.00 S ATOM 857 CE MET A 58 -14.350 -14.224 -5.643 1.00 0.00 C ATOM 0 H MET A 58 -13.155 -9.836 -6.040 1.00 0.00 H new ATOM 0 HA MET A 58 -11.093 -10.958 -7.614 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.757 -12.811 -7.900 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.478 -12.356 -6.231 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.569 -11.213 -6.077 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.790 -11.212 -7.816 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.728 -15.241 -5.540 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.307 -14.254 -5.959 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.424 -13.711 -4.684 1.00 0.00 H new ATOM 867 N ASP A 59 -13.449 -9.445 -9.218 1.00 0.00 N ATOM 868 CA ASP A 59 -13.913 -9.024 -10.534 1.00 0.00 C ATOM 869 C ASP A 59 -13.406 -7.624 -10.868 1.00 0.00 C ATOM 870 O ASP A 59 -14.122 -6.631 -10.735 1.00 0.00 O ATOM 871 CB ASP A 59 -15.441 -9.056 -10.596 1.00 0.00 C ATOM 872 CG ASP A 59 -15.987 -10.466 -10.688 1.00 0.00 C ATOM 873 OD1 ASP A 59 -15.435 -11.267 -11.471 1.00 0.00 O ATOM 874 OD2 ASP A 59 -16.969 -10.769 -9.977 1.00 0.00 O ATOM 0 H ASP A 59 -13.860 -8.928 -8.441 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.514 -9.720 -11.271 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.848 -8.569 -9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.779 -8.482 -11.459 1.00 0.00 H new ATOM 879 N PRO A 60 -12.142 -7.540 -11.308 1.00 0.00 N ATOM 880 CA PRO A 60 -11.511 -6.268 -11.668 1.00 0.00 C ATOM 881 C PRO A 60 -12.098 -5.669 -12.942 1.00 0.00 C ATOM 882 O PRO A 60 -11.784 -4.537 -13.312 1.00 0.00 O ATOM 883 CB PRO A 60 -10.044 -6.646 -11.882 1.00 0.00 C ATOM 884 CG PRO A 60 -10.075 -8.091 -12.247 1.00 0.00 C ATOM 885 CD PRO A 60 -11.231 -8.683 -11.490 1.00 0.00 C ATOM 0 HA PRO A 60 -11.662 -5.508 -10.901 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.592 -6.047 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.456 -6.478 -10.980 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.205 -8.220 -13.322 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.140 -8.582 -11.978 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.706 -9.490 -12.048 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.914 -9.100 -10.534 1.00 0.00 H new ATOM 941 N VAL A 64 -13.485 1.021 -10.839 1.00 0.00 N ATOM 942 CA VAL A 64 -12.697 1.095 -9.613 1.00 0.00 C ATOM 943 C VAL A 64 -13.597 1.105 -8.383 1.00 0.00 C ATOM 944 O VAL A 64 -13.657 0.130 -7.637 1.00 0.00 O ATOM 945 CB VAL A 64 -11.805 2.350 -9.594 1.00 0.00 C ATOM 946 CG1 VAL A 64 -11.122 2.500 -8.243 1.00 0.00 C ATOM 947 CG2 VAL A 64 -10.778 2.291 -10.715 1.00 0.00 C ATOM 0 HA VAL A 64 -12.063 0.209 -9.589 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.436 3.224 -9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.496 3.392 -8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.877 2.591 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.503 1.624 -8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.156 3.186 -10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.150 1.409 -10.587 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.290 2.236 -11.675 1.00 0.00 H new ATOM 957 N ASN A 65 -14.296 2.218 -8.176 1.00 0.00 N ATOM 958 CA ASN A 65 -15.193 2.356 -7.035 1.00 0.00 C ATOM 959 C ASN A 65 -16.188 1.201 -6.982 1.00 0.00 C ATOM 960 O ASN A 65 -16.629 0.795 -5.908 1.00 0.00 O ATOM 961 CB ASN A 65 -15.942 3.686 -7.107 1.00 0.00 C ATOM 962 CG ASN A 65 -15.528 4.644 -6.006 1.00 0.00 C ATOM 963 OD1 ASN A 65 -16.300 4.926 -5.090 1.00 0.00 O ATOM 964 ND2 ASN A 65 -14.303 5.150 -6.092 1.00 0.00 N ATOM 0 H ASN A 65 -14.258 3.036 -8.784 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.591 2.335 -6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.760 4.150 -8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.014 3.500 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.969 5.800 -5.381 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.697 4.888 -6.869 1.00 0.00 H new ATOM 971 N ASN A 66 -16.539 0.675 -8.152 1.00 0.00 N ATOM 972 CA ASN A 66 -17.483 -0.434 -8.240 1.00 0.00 C ATOM 973 C ASN A 66 -16.964 -1.652 -7.482 1.00 0.00 C ATOM 974 O ASN A 66 -17.730 -2.547 -7.127 1.00 0.00 O ATOM 975 CB ASN A 66 -17.736 -0.800 -9.704 1.00 0.00 C ATOM 976 CG ASN A 66 -19.197 -0.674 -10.087 1.00 0.00 C ATOM 977 OD1 ASN A 66 -19.987 -1.596 -9.878 1.00 0.00 O ATOM 978 ND2 ASN A 66 -19.566 0.470 -10.650 1.00 0.00 N ATOM 0 H ASN A 66 -16.184 0.999 -9.052 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.421 -0.117 -7.784 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.138 -0.153 -10.346 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.403 -1.822 -9.883 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -20.537 0.612 -10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.878 1.207 -10.805 1.00 0.00 H new ATOM 985 N TRP A 67 -15.659 -1.676 -7.238 1.00 0.00 N ATOM 986 CA TRP A 67 -15.037 -2.786 -6.521 1.00 0.00 C ATOM 987 C TRP A 67 -15.622 -2.923 -5.119 1.00 0.00 C ATOM 988 O TRP A 67 -16.559 -2.214 -4.756 1.00 0.00 O ATOM 989 CB TRP A 67 -13.523 -2.581 -6.438 1.00 0.00 C ATOM 990 CG TRP A 67 -12.831 -2.722 -7.759 1.00 0.00 C ATOM 991 CD1 TRP A 67 -13.410 -2.677 -8.996 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.432 -2.932 -7.977 1.00 0.00 C ATOM 993 NE1 TRP A 67 -12.453 -2.847 -9.969 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.232 -3.004 -9.369 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.328 -3.062 -7.129 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -9.974 -3.203 -9.931 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -9.079 -3.260 -7.689 1.00 0.00 C ATOM 998 CH2 TRP A 67 -8.912 -3.329 -9.079 1.00 0.00 C ATOM 0 H TRP A 67 -15.011 -0.942 -7.525 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.243 -3.704 -7.072 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.320 -1.589 -6.034 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -13.104 -3.303 -5.737 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -14.464 -2.530 -9.182 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -12.625 -2.855 -10.974 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.448 -3.009 -6.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -9.842 -3.256 -11.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.218 -3.363 -7.045 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -7.924 -3.485 -9.486 1.00 0.00 H new ATOM 1009 N MET A 68 -15.061 -3.839 -4.337 1.00 0.00 N ATOM 1010 CA MET A 68 -15.528 -4.069 -2.974 1.00 0.00 C ATOM 1011 C MET A 68 -15.059 -2.954 -2.046 1.00 0.00 C ATOM 1012 O MET A 68 -15.807 -2.497 -1.179 1.00 0.00 O ATOM 1013 CB MET A 68 -15.027 -5.421 -2.462 1.00 0.00 C ATOM 1014 CG MET A 68 -16.134 -6.442 -2.263 1.00 0.00 C ATOM 1015 SD MET A 68 -15.663 -8.093 -2.814 1.00 0.00 S ATOM 1016 CE MET A 68 -14.290 -8.437 -1.717 1.00 0.00 C ATOM 0 H MET A 68 -14.283 -4.434 -4.623 1.00 0.00 H new ATOM 0 HA MET A 68 -16.618 -4.075 -2.984 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.298 -5.820 -3.167 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.507 -5.272 -1.516 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.404 -6.479 -1.208 1.00 0.00 H new ATOM 0 HG3 MET A 68 -17.022 -6.121 -2.808 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.383 -9.449 -1.324 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.353 -8.346 -2.267 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.296 -7.725 -0.892 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.818 -2.517 -2.230 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.249 -1.456 -1.409 1.00 0.00 C ATOM 1028 C LYS A 69 -13.139 -1.893 0.048 1.00 0.00 C ATOM 1029 O LYS A 69 -13.834 -2.811 0.485 1.00 0.00 O ATOM 1030 CB LYS A 69 -14.104 -0.191 -1.511 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.473 0.182 -2.935 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.230 1.499 -2.990 1.00 0.00 C ATOM 1033 CE LYS A 69 -14.298 2.688 -2.820 1.00 0.00 C ATOM 1034 NZ LYS A 69 -14.846 3.692 -1.868 1.00 0.00 N ATOM 0 H LYS A 69 -13.186 -2.883 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.247 -1.241 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.018 -0.333 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.565 0.639 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.568 0.256 -3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.084 -0.608 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.753 1.579 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.989 1.516 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.328 2.341 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.131 3.160 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.281 4.564 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.833 3.904 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.807 3.311 -0.901 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.263 -1.229 0.796 1.00 0.00 N ATOM 1049 CA HIS A 70 -12.066 -1.549 2.205 1.00 0.00 C ATOM 1050 C HIS A 70 -12.077 -0.283 3.057 1.00 0.00 C ATOM 1051 O HIS A 70 -12.333 0.811 2.555 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.746 -2.297 2.400 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.832 -3.415 3.391 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -11.799 -4.337 3.604 1.00 0.00 N flip ATOM 1055 CD2 HIS A 70 -9.840 -3.684 4.312 1.00 0.00 C flip ATOM 1056 CE1 HIS A 70 -11.380 -5.138 4.638 1.00 0.00 C flip ATOM 1057 NE2 HIS A 70 -10.193 -4.723 5.046 1.00 0.00 N flip ATOM 0 H HIS A 70 -11.679 -0.467 0.450 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.889 -2.188 2.525 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.420 -2.698 1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.983 -1.591 2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.918 -3.131 4.416 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.930 -5.971 5.050 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.643 -5.135 5.800 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.799 -0.440 4.346 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.779 0.690 5.268 1.00 0.00 C ATOM 1067 C ASN A 71 -10.456 0.754 6.023 1.00 0.00 C ATOM 1068 O ASN A 71 -9.853 -0.275 6.330 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.940 0.588 6.258 1.00 0.00 C ATOM 1070 CG ASN A 71 -13.118 1.855 7.073 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -13.256 2.947 6.522 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -13.115 1.714 8.394 1.00 0.00 N ATOM 0 H ASN A 71 -11.584 -1.339 4.777 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.887 1.604 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.861 0.377 5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.768 -0.252 6.931 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.230 2.531 8.994 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.998 0.789 8.808 1.00 0.00 H new ATOM 1079 N VAL A 72 -10.008 1.969 6.321 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.756 2.167 7.042 1.00 0.00 C ATOM 1081 C VAL A 72 -8.801 3.438 7.883 1.00 0.00 C ATOM 1082 O VAL A 72 -9.395 4.439 7.483 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.558 2.247 6.077 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -6.269 2.491 6.845 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.461 0.977 5.245 1.00 0.00 C ATOM 0 H VAL A 72 -10.493 2.832 6.074 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.629 1.305 7.697 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.713 3.087 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.434 2.544 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.344 3.430 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.103 1.674 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.610 1.049 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.328 0.119 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.375 0.851 4.665 1.00 0.00 H new ATOM 1095 N ALA A 73 -8.169 3.391 9.051 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.136 4.540 9.948 1.00 0.00 C ATOM 1097 C ALA A 73 -6.700 4.965 10.242 1.00 0.00 C ATOM 1098 O ALA A 73 -6.262 4.951 11.392 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.868 4.219 11.243 1.00 0.00 C ATOM 0 H ALA A 73 -7.673 2.570 9.398 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.640 5.371 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.836 5.085 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.906 3.970 11.022 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.387 3.372 11.732 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.975 5.342 9.195 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.590 5.771 9.340 1.00 0.00 C ATOM 1107 C ASP A 74 -3.770 4.723 10.089 1.00 0.00 C ATOM 1108 O ASP A 74 -3.223 4.997 11.156 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.522 7.111 10.076 1.00 0.00 C ATOM 1110 CG ASP A 74 -3.166 7.775 9.947 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.191 7.075 9.605 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -3.080 8.998 10.187 1.00 0.00 O ATOM 0 H ASP A 74 -6.324 5.359 8.237 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.168 5.891 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.289 7.778 9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.748 6.954 11.131 1.00 0.00 H new ATOM 1117 N SER A 75 -3.693 3.524 9.522 1.00 0.00 N ATOM 1118 CA SER A 75 -2.946 2.435 10.138 1.00 0.00 C ATOM 1119 C SER A 75 -1.771 2.015 9.258 1.00 0.00 C ATOM 1120 O SER A 75 -0.796 1.441 9.740 1.00 0.00 O ATOM 1121 CB SER A 75 -3.864 1.237 10.387 1.00 0.00 C ATOM 1122 OG SER A 75 -4.061 1.025 11.775 1.00 0.00 O ATOM 0 H SER A 75 -4.139 3.282 8.637 1.00 0.00 H new ATOM 0 HA SER A 75 -2.555 2.790 11.092 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.825 1.404 9.901 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.431 0.343 9.937 1.00 0.00 H new ATOM 0 HG SER A 75 -4.653 0.255 11.908 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.875 2.307 7.965 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.824 1.959 7.018 1.00 0.00 C ATOM 1130 C GLN A 76 -0.650 0.446 6.924 1.00 0.00 C ATOM 1131 O GLN A 76 0.367 -0.043 6.436 1.00 0.00 O ATOM 1132 CB GLN A 76 0.500 2.610 7.431 1.00 0.00 C ATOM 1133 CG GLN A 76 0.894 3.792 6.559 1.00 0.00 C ATOM 1134 CD GLN A 76 2.191 4.438 7.005 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.275 5.659 7.136 1.00 0.00 O ATOM 1136 NE2 GLN A 76 3.209 3.621 7.243 1.00 0.00 N ATOM 0 H GLN A 76 -2.676 2.783 7.551 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.118 2.334 6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.425 2.942 8.466 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.291 1.861 7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.994 3.459 5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.097 4.535 6.578 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.095 2.615 7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.106 3.999 7.548 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.653 -0.287 7.397 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.613 -1.744 7.366 1.00 0.00 C ATOM 1147 C ILE A 77 -2.992 -2.338 7.632 1.00 0.00 C ATOM 1148 O ILE A 77 -3.699 -1.911 8.545 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.618 -2.303 8.400 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.437 -3.809 8.205 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.097 -1.999 9.813 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.788 -4.364 8.898 1.00 0.00 C ATOM 0 H ILE A 77 -2.502 0.104 7.806 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.284 -2.029 6.367 1.00 0.00 H new ATOM 0 HB ILE A 77 0.347 -1.819 8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.321 -4.325 8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.370 -4.024 7.138 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.384 -2.400 10.533 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.178 -0.920 9.945 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.072 -2.459 9.973 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.854 -5.437 8.717 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.680 -3.875 8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.714 -4.181 9.970 1.00 0.00 H new ATOM 1164 N THR A 78 -3.368 -3.328 6.828 1.00 0.00 N ATOM 1165 CA THR A 78 -4.661 -3.983 6.977 1.00 0.00 C ATOM 1166 C THR A 78 -4.584 -5.452 6.578 1.00 0.00 C ATOM 1167 O THR A 78 -3.716 -5.852 5.801 1.00 0.00 O ATOM 1168 CB THR A 78 -5.742 -3.289 6.127 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.004 -3.939 6.312 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.368 -3.309 4.653 1.00 0.00 C ATOM 0 H THR A 78 -2.795 -3.693 6.067 1.00 0.00 H new ATOM 0 HA THR A 78 -4.933 -3.910 8.030 1.00 0.00 H new ATOM 0 HB THR A 78 -5.817 -2.252 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.726 -3.333 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.147 -2.813 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.422 -2.787 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.267 -4.341 4.317 1.00 0.00 H new ATOM 1178 N THR A 79 -5.498 -6.255 7.114 1.00 0.00 N ATOM 1179 CA THR A 79 -5.532 -7.682 6.815 1.00 0.00 C ATOM 1180 C THR A 79 -6.898 -8.099 6.285 1.00 0.00 C ATOM 1181 O THR A 79 -7.907 -7.985 6.982 1.00 0.00 O ATOM 1182 CB THR A 79 -5.197 -8.525 8.061 1.00 0.00 C ATOM 1183 OG1 THR A 79 -5.901 -8.017 9.200 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.702 -8.513 8.336 1.00 0.00 C ATOM 0 H THR A 79 -6.225 -5.942 7.757 1.00 0.00 H new ATOM 0 HA THR A 79 -4.778 -7.863 6.050 1.00 0.00 H new ATOM 0 HB THR A 79 -5.507 -9.553 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.827 -7.817 8.950 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.490 -9.115 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.171 -8.927 7.479 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.372 -7.488 8.507 1.00 0.00 H new ATOM 1192 N ILE A 80 -6.925 -8.583 5.048 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.169 -9.019 4.425 1.00 0.00 C ATOM 1194 C ILE A 80 -8.269 -10.540 4.406 1.00 0.00 C ATOM 1195 O ILE A 80 -7.308 -11.233 4.077 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.292 -8.490 2.983 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.229 -6.961 2.970 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.586 -8.978 2.349 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.130 -6.372 1.581 1.00 0.00 C ATOM 0 H ILE A 80 -6.100 -8.683 4.457 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.983 -8.610 5.024 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.456 -8.874 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.118 -6.565 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.369 -6.636 3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.659 -8.596 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.593 -10.068 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.434 -8.620 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.089 -5.285 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.227 -6.739 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.002 -6.667 0.998 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.444 -11.055 4.761 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.651 -12.491 4.776 1.00 0.00 C ATOM 1213 C GLY A 81 -10.993 -12.890 4.194 1.00 0.00 C ATOM 1214 O GLY A 81 -11.664 -12.081 3.556 1.00 0.00 O ATOM 0 H GLY A 81 -10.255 -10.502 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.855 -12.976 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.581 -12.854 5.801 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.381 -14.142 4.414 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.651 -14.647 3.905 1.00 0.00 C ATOM 1220 C ASN A 82 -12.669 -14.632 2.378 1.00 0.00 C ATOM 1221 O ASN A 82 -13.689 -14.319 1.762 1.00 0.00 O ATOM 1222 CB ASN A 82 -13.812 -13.811 4.447 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.099 -14.608 4.551 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -16.032 -14.404 3.775 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -15.153 -15.522 5.514 1.00 0.00 N ATOM 0 H ASN A 82 -10.835 -14.824 4.940 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.765 -15.677 4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.548 -13.422 5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.972 -12.951 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -15.993 -16.089 5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.355 -15.657 6.135 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.536 -14.974 1.776 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.421 -15.001 0.321 1.00 0.00 C ATOM 1234 C LEU A 83 -11.373 -16.435 -0.194 1.00 0.00 C ATOM 1235 O LEU A 83 -11.589 -17.385 0.560 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.168 -14.244 -0.125 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.841 -12.970 0.655 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.444 -12.478 0.310 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.875 -11.890 0.371 1.00 0.00 C ATOM 0 H LEU A 83 -10.684 -15.236 2.272 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.301 -14.513 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.315 -14.919 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.281 -13.983 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.870 -13.201 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.228 -11.571 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.714 -13.246 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.387 -12.264 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.626 -10.991 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.879 -11.661 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.862 -12.244 0.669 1.00 0.00 H new ATOM 1251 N VAL A 84 -11.085 -16.586 -1.483 1.00 0.00 N ATOM 1252 CA VAL A 84 -11.005 -17.905 -2.099 1.00 0.00 C ATOM 1253 C VAL A 84 -9.598 -18.185 -2.616 1.00 0.00 C ATOM 1254 O VAL A 84 -8.976 -17.355 -3.278 1.00 0.00 O ATOM 1255 CB VAL A 84 -12.003 -18.042 -3.264 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.753 -16.967 -4.312 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -11.916 -19.430 -3.880 1.00 0.00 C ATOM 0 H VAL A 84 -10.903 -15.811 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.257 -18.631 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.011 -17.906 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.468 -17.080 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.872 -15.983 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.740 -17.067 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.628 -19.509 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.907 -19.598 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.150 -20.179 -3.124 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.082 -19.384 -2.305 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.743 -19.804 -2.727 1.00 0.00 C ATOM 1269 C PRO A 85 -7.659 -20.048 -4.230 1.00 0.00 C ATOM 1270 O PRO A 85 -8.675 -20.263 -4.890 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.520 -21.109 -1.961 1.00 0.00 C ATOM 1272 CG PRO A 85 -8.890 -21.631 -1.698 1.00 0.00 C ATOM 1273 CD PRO A 85 -9.766 -20.422 -1.516 1.00 0.00 C ATOM 0 HA PRO A 85 -6.994 -19.040 -2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.932 -21.816 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.977 -20.935 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.240 -22.245 -2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.904 -22.260 -0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.778 -20.601 -1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.849 -20.140 -0.466 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.442 -20.012 -4.765 1.00 0.00 N ATOM 1282 CA GLN A 86 -6.228 -20.230 -6.190 1.00 0.00 C ATOM 1283 C GLN A 86 -7.101 -19.294 -7.020 1.00 0.00 C ATOM 1284 O GLN A 86 -7.831 -19.735 -7.909 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.526 -21.686 -6.556 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.391 -22.641 -6.230 1.00 0.00 C ATOM 1287 CD GLN A 86 -5.614 -24.029 -6.796 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -5.970 -24.185 -7.964 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -5.404 -25.046 -5.970 1.00 0.00 N ATOM 0 H GLN A 86 -5.590 -19.834 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.183 -20.015 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.423 -22.008 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.745 -21.746 -7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.458 -22.238 -6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.278 -22.708 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.109 -24.870 -5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.537 -26.003 -6.296 1.00 0.00 H new ATOM 1298 N LYS A 87 -7.020 -18.002 -6.727 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.801 -17.002 -7.447 1.00 0.00 C ATOM 1300 C LYS A 87 -7.107 -15.644 -7.417 1.00 0.00 C ATOM 1301 O LYS A 87 -6.783 -15.124 -6.349 1.00 0.00 O ATOM 1302 CB LYS A 87 -9.201 -16.885 -6.839 1.00 0.00 C ATOM 1303 CG LYS A 87 -10.080 -18.096 -7.099 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.286 -18.326 -8.588 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.759 -18.279 -8.960 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.970 -18.508 -10.417 1.00 0.00 N ATOM 0 H LYS A 87 -6.421 -17.621 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.887 -17.323 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.109 -16.737 -5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.690 -15.998 -7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.624 -18.980 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.046 -17.956 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.743 -17.569 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.869 -19.293 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.302 -19.034 -8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.174 -17.310 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.987 -18.468 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.473 -17.773 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.597 -19.443 -10.679 1.00 0.00 H new ATOM 1320 N THR A 88 -6.882 -15.075 -8.597 1.00 0.00 N ATOM 1321 CA THR A 88 -6.227 -13.777 -8.707 1.00 0.00 C ATOM 1322 C THR A 88 -7.077 -12.678 -8.080 1.00 0.00 C ATOM 1323 O THR A 88 -8.286 -12.610 -8.303 1.00 0.00 O ATOM 1324 CB THR A 88 -5.942 -13.415 -10.176 1.00 0.00 C ATOM 1325 OG1 THR A 88 -5.087 -14.400 -10.767 1.00 0.00 O ATOM 1326 CG2 THR A 88 -5.290 -12.044 -10.279 1.00 0.00 C ATOM 0 H THR A 88 -7.144 -15.492 -9.490 1.00 0.00 H new ATOM 0 HA THR A 88 -5.282 -13.853 -8.169 1.00 0.00 H new ATOM 0 HB THR A 88 -6.891 -13.390 -10.711 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.912 -14.163 -11.702 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.098 -11.810 -11.326 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.955 -11.292 -9.855 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.349 -12.047 -9.729 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.438 -11.818 -7.296 1.00 0.00 N ATOM 1335 CA TYR A 89 -7.136 -10.720 -6.634 1.00 0.00 C ATOM 1336 C TYR A 89 -6.395 -9.403 -6.838 1.00 0.00 C ATOM 1337 O TYR A 89 -5.171 -9.342 -6.725 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.284 -11.011 -5.140 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.604 -11.653 -4.776 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.752 -10.886 -4.618 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.704 -13.027 -4.593 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.959 -11.469 -4.285 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -9.907 -13.618 -4.260 1.00 0.00 C ATOM 1344 CZ TYR A 89 -11.032 -12.835 -4.108 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.234 -13.419 -3.778 1.00 0.00 O ATOM 0 H TYR A 89 -5.437 -11.859 -7.102 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.127 -10.630 -7.079 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.472 -11.665 -4.824 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.177 -10.079 -4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.700 -9.816 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.825 -13.644 -4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.841 -10.858 -4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.966 -14.687 -4.119 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.773 -12.787 -3.259 1.00 0.00 H new ATOM 1355 N SER A 90 -7.148 -8.348 -7.135 1.00 0.00 N ATOM 1356 CA SER A 90 -6.564 -7.031 -7.355 1.00 0.00 C ATOM 1357 C SER A 90 -6.431 -6.268 -6.041 1.00 0.00 C ATOM 1358 O SER A 90 -7.183 -6.500 -5.096 1.00 0.00 O ATOM 1359 CB SER A 90 -7.418 -6.229 -8.340 1.00 0.00 C ATOM 1360 OG SER A 90 -8.770 -6.657 -8.307 1.00 0.00 O ATOM 0 H SER A 90 -8.163 -8.380 -7.229 1.00 0.00 H new ATOM 0 HA SER A 90 -5.568 -7.169 -7.777 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.363 -5.168 -8.095 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.021 -6.344 -9.349 1.00 0.00 H new ATOM 0 HG SER A 90 -9.357 -5.903 -8.524 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.467 -5.353 -5.990 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.234 -4.555 -4.793 1.00 0.00 C ATOM 1368 C VAL A 91 -4.685 -3.177 -5.150 1.00 0.00 C ATOM 1369 O VAL A 91 -3.746 -3.055 -5.936 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.252 -5.253 -3.833 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -4.013 -4.398 -2.598 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.773 -6.630 -3.448 1.00 0.00 C ATOM 0 H VAL A 91 -4.836 -5.147 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.197 -4.443 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.298 -5.381 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.317 -4.908 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.593 -3.438 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.958 -4.235 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.067 -7.109 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.739 -6.528 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.886 -7.240 -4.344 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.277 -2.142 -4.565 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.848 -0.771 -4.818 1.00 0.00 C ATOM 1384 C LYS A 92 -5.010 0.089 -3.569 1.00 0.00 C ATOM 1385 O LYS A 92 -6.084 0.135 -2.970 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.651 -0.169 -5.972 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.796 -1.101 -7.163 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.616 -0.463 -8.274 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.842 0.643 -8.971 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.479 1.040 -10.259 1.00 0.00 N ATOM 0 H LYS A 92 -6.056 -2.226 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.792 -0.791 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.643 0.102 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.168 0.752 -6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.809 -1.364 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.272 -2.028 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.900 -1.224 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.539 -0.057 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.778 1.511 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.821 0.310 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.121 1.972 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.251 0.337 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.511 1.089 -10.136 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.935 0.770 -3.181 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.960 1.632 -2.005 1.00 0.00 C ATOM 1406 C VAL A 93 -3.738 3.091 -2.388 1.00 0.00 C ATOM 1407 O VAL A 93 -2.982 3.393 -3.313 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.889 1.212 -0.981 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.052 1.994 0.313 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.957 -0.285 -0.721 1.00 0.00 C ATOM 0 H VAL A 93 -3.037 0.741 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.946 1.525 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.907 1.441 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.287 1.684 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.948 3.060 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.039 1.800 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.193 -0.563 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.941 -0.542 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.786 -0.824 -1.653 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.399 3.992 -1.670 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.273 5.421 -1.933 1.00 0.00 C ATOM 1422 C LEU A 94 -4.329 6.221 -0.635 1.00 0.00 C ATOM 1423 O LEU A 94 -4.668 5.687 0.420 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.383 5.885 -2.879 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.743 6.158 -2.235 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.853 7.616 -1.820 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.868 5.786 -3.188 1.00 0.00 C ATOM 0 H LEU A 94 -5.028 3.758 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.305 5.595 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.051 6.795 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.515 5.128 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.832 5.540 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.827 7.792 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.068 7.850 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.743 8.253 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.828 5.987 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.783 6.377 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.800 4.727 -3.435 1.00 0.00 H new ATOM 1439 N ALA A 95 -3.994 7.503 -0.723 1.00 0.00 N ATOM 1440 CA ALA A 95 -4.008 8.378 0.444 1.00 0.00 C ATOM 1441 C ALA A 95 -4.990 9.530 0.253 1.00 0.00 C ATOM 1442 O ALA A 95 -5.109 10.083 -0.841 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.612 8.913 0.721 1.00 0.00 C ATOM 0 H ALA A 95 -3.710 7.960 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.336 7.792 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.639 9.564 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.934 8.081 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.261 9.478 -0.142 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.691 9.886 1.325 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.664 10.972 1.275 1.00 0.00 C ATOM 1451 C PHE A 96 -6.672 11.755 2.583 1.00 0.00 C ATOM 1452 O PHE A 96 -6.462 11.194 3.659 1.00 0.00 O ATOM 1453 CB PHE A 96 -8.063 10.420 0.989 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.673 9.703 2.157 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.409 10.396 3.106 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.513 8.334 2.308 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.972 9.737 4.182 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -9.074 7.670 3.383 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.805 8.373 4.321 1.00 0.00 C ATOM 0 H PHE A 96 -5.604 9.439 2.238 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.376 11.647 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.716 11.242 0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -8.009 9.737 0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.544 11.463 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.943 7.780 1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.543 10.289 4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.941 6.604 3.489 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.245 7.857 5.161 1.00 0.00 H new ATOM 1469 N THR A 97 -6.916 13.059 2.485 1.00 0.00 N ATOM 1470 CA THR A 97 -6.951 13.922 3.660 1.00 0.00 C ATOM 1471 C THR A 97 -8.243 14.727 3.713 1.00 0.00 C ATOM 1472 O THR A 97 -9.109 14.588 2.848 1.00 0.00 O ATOM 1473 CB THR A 97 -5.753 14.890 3.680 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.889 15.860 2.636 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.443 14.134 3.510 1.00 0.00 C ATOM 0 H THR A 97 -7.092 13.541 1.603 1.00 0.00 H new ATOM 0 HA THR A 97 -6.897 13.271 4.533 1.00 0.00 H new ATOM 0 HB THR A 97 -5.739 15.396 4.645 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.124 16.472 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.611 14.839 3.527 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.328 13.417 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.450 13.604 2.558 1.00 0.00 H new ATOM 1483 N SER A 98 -8.366 15.573 4.731 1.00 0.00 N ATOM 1484 CA SER A 98 -9.556 16.400 4.897 1.00 0.00 C ATOM 1485 C SER A 98 -9.816 17.237 3.648 1.00 0.00 C ATOM 1486 O SER A 98 -10.952 17.617 3.368 1.00 0.00 O ATOM 1487 CB SER A 98 -9.400 17.316 6.113 1.00 0.00 C ATOM 1488 OG SER A 98 -8.621 18.456 5.797 1.00 0.00 O ATOM 0 H SER A 98 -7.657 15.704 5.453 1.00 0.00 H new ATOM 0 HA SER A 98 -10.408 15.739 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.383 17.630 6.464 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.931 16.766 6.929 1.00 0.00 H new ATOM 0 HG SER A 98 -8.538 19.026 6.590 1.00 0.00 H new ATOM 1494 N ILE A 99 -8.752 17.516 2.900 1.00 0.00 N ATOM 1495 CA ILE A 99 -8.865 18.306 1.680 1.00 0.00 C ATOM 1496 C ILE A 99 -9.522 17.503 0.564 1.00 0.00 C ATOM 1497 O ILE A 99 -10.602 17.848 0.089 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.487 18.800 1.200 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -6.795 19.601 2.304 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -7.635 19.641 -0.059 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.596 20.790 2.782 1.00 0.00 C ATOM 0 H ILE A 99 -7.805 17.207 3.117 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.488 19.168 1.919 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.869 17.934 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.598 18.943 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.829 19.948 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.653 19.983 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.091 19.040 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.268 20.503 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.043 21.310 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.771 21.470 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.552 20.449 3.179 1.00 0.00 H new ATOM 1513 N GLY A 100 -8.861 16.426 0.150 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.397 15.588 -0.908 1.00 0.00 C ATOM 1515 C GLY A 100 -8.727 14.229 -0.966 1.00 0.00 C ATOM 1516 O GLY A 100 -8.141 13.776 0.017 1.00 0.00 O ATOM 0 H GLY A 100 -7.965 16.119 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.468 15.456 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.272 16.093 -1.866 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.818 13.576 -2.119 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.216 12.259 -2.301 1.00 0.00 C ATOM 1522 C ASP A 101 -6.946 12.353 -3.139 1.00 0.00 C ATOM 1523 O ASP A 101 -6.713 13.350 -3.822 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.212 11.309 -2.967 1.00 0.00 C ATOM 1525 CG ASP A 101 -9.897 11.934 -4.166 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.238 12.712 -4.886 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.091 11.643 -4.385 1.00 0.00 O ATOM 0 H ASP A 101 -9.302 13.936 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.952 11.868 -1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.692 10.404 -3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.965 11.008 -2.239 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.126 11.309 -3.082 1.00 0.00 N ATOM 1533 CA GLY A 102 -4.887 11.294 -3.839 1.00 0.00 C ATOM 1534 C GLY A 102 -4.871 10.213 -4.901 1.00 0.00 C ATOM 1535 O GLY A 102 -5.749 9.350 -4.954 1.00 0.00 O ATOM 0 H GLY A 102 -6.297 10.472 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.741 12.266 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.050 11.142 -3.157 1.00 0.00 H new ATOM 1539 N PRO A 103 -3.852 10.250 -5.773 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.701 9.274 -6.855 1.00 0.00 C ATOM 1541 C PRO A 103 -3.334 7.887 -6.338 1.00 0.00 C ATOM 1542 O PRO A 103 -2.356 7.724 -5.607 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.558 9.850 -7.696 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.773 10.688 -6.746 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.771 11.250 -5.770 1.00 0.00 C ATOM 0 HA PRO A 103 -4.629 9.135 -7.410 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.944 9.058 -8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -2.938 10.444 -8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.017 10.093 -6.233 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.248 11.486 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.338 11.370 -4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.130 12.231 -6.082 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.123 6.889 -6.721 1.00 0.00 N ATOM 1554 CA LEU A 104 -3.882 5.516 -6.296 1.00 0.00 C ATOM 1555 C LEU A 104 -2.471 5.070 -6.670 1.00 0.00 C ATOM 1556 O LEU A 104 -1.758 5.772 -7.388 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.910 4.576 -6.929 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.306 4.593 -6.306 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.371 4.712 -7.386 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.532 3.343 -5.468 1.00 0.00 C ATOM 0 H LEU A 104 -4.936 7.006 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.982 5.475 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.002 4.829 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.523 3.558 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.380 5.462 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.358 4.723 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.222 5.636 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.297 3.862 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.531 3.373 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.438 2.460 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.790 3.300 -4.671 1.00 0.00 H new ATOM 1572 N SER A 105 -2.076 3.900 -6.180 1.00 0.00 N ATOM 1573 CA SER A 105 -0.752 3.361 -6.461 1.00 0.00 C ATOM 1574 C SER A 105 -0.793 2.409 -7.652 1.00 0.00 C ATOM 1575 O SER A 105 -1.860 2.122 -8.195 1.00 0.00 O ATOM 1576 CB SER A 105 -0.201 2.634 -5.232 1.00 0.00 C ATOM 1577 OG SER A 105 -1.226 1.921 -4.561 1.00 0.00 O ATOM 0 H SER A 105 -2.655 3.307 -5.586 1.00 0.00 H new ATOM 0 HA SER A 105 -0.094 4.194 -6.707 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.587 1.945 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.251 3.355 -4.551 1.00 0.00 H new ATOM 0 HG SER A 105 -1.757 2.543 -4.020 1.00 0.00 H new ATOM 1583 N SER A 106 0.377 1.924 -8.055 1.00 0.00 N ATOM 1584 CA SER A 106 0.477 1.007 -9.185 1.00 0.00 C ATOM 1585 C SER A 106 -0.383 -0.233 -8.957 1.00 0.00 C ATOM 1586 O SER A 106 -0.243 -0.921 -7.946 1.00 0.00 O ATOM 1587 CB SER A 106 1.932 0.597 -9.411 1.00 0.00 C ATOM 1588 OG SER A 106 2.724 0.879 -8.269 1.00 0.00 O ATOM 0 H SER A 106 1.269 2.151 -7.616 1.00 0.00 H new ATOM 0 HA SER A 106 0.111 1.524 -10.072 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.982 -0.468 -9.638 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.333 1.127 -10.275 1.00 0.00 H new ATOM 0 HG SER A 106 3.650 0.606 -8.438 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.274 -0.510 -9.902 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.157 -1.666 -9.806 1.00 0.00 C ATOM 1596 C ASP A 107 -1.359 -2.939 -9.541 1.00 0.00 C ATOM 1597 O ASP A 107 -0.590 -3.388 -10.392 1.00 0.00 O ATOM 1598 CB ASP A 107 -2.975 -1.819 -11.088 1.00 0.00 C ATOM 1599 CG ASP A 107 -3.950 -0.676 -11.294 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -3.555 0.488 -11.071 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -5.106 -0.945 -11.680 1.00 0.00 O ATOM 0 H ASP A 107 -1.404 0.051 -10.744 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.836 -1.504 -8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.300 -1.875 -11.942 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.525 -2.760 -11.055 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.545 -3.513 -8.358 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.843 -4.734 -7.984 1.00 0.00 C ATOM 1608 C ILE A 108 -1.808 -5.908 -7.854 1.00 0.00 C ATOM 1609 O ILE A 108 -2.972 -5.728 -7.497 1.00 0.00 O ATOM 1610 CB ILE A 108 -0.083 -4.561 -6.655 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -1.042 -4.117 -5.547 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.047 -3.554 -6.818 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.506 -4.354 -4.154 1.00 0.00 C ATOM 0 H ILE A 108 -2.176 -3.152 -7.642 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.128 -4.942 -8.780 1.00 0.00 H new ATOM 0 HB ILE A 108 0.349 -5.521 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.258 -3.056 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.986 -4.650 -5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.575 -3.443 -5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.741 -3.907 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.635 -2.591 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.238 -4.016 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.316 -5.418 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.423 -3.799 -4.022 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.316 -7.107 -8.146 1.00 0.00 N ATOM 1626 CA GLN A 109 -2.135 -8.310 -8.061 1.00 0.00 C ATOM 1627 C GLN A 109 -1.421 -9.400 -7.269 1.00 0.00 C ATOM 1628 O GLN A 109 -0.207 -9.569 -7.380 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.475 -8.821 -9.463 1.00 0.00 C ATOM 1630 CG GLN A 109 -3.533 -7.992 -10.172 1.00 0.00 C ATOM 1631 CD GLN A 109 -3.427 -8.078 -11.682 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -3.242 -9.158 -12.242 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -3.545 -6.936 -12.350 1.00 0.00 N ATOM 0 H GLN A 109 -0.354 -7.271 -8.444 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.058 -8.055 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.568 -8.831 -10.067 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.821 -9.852 -9.391 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.522 -8.329 -9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.440 -6.951 -9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.698 -6.063 -11.845 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.483 -6.932 -13.368 1.00 0.00 H new ATOM 1642 N VAL A 110 -2.183 -10.139 -6.469 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.623 -11.214 -5.658 1.00 0.00 C ATOM 1644 C VAL A 110 -2.532 -12.439 -5.669 1.00 0.00 C ATOM 1645 O VAL A 110 -3.742 -12.329 -5.468 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.406 -10.762 -4.202 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.721 -10.326 -3.575 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.764 -11.878 -3.390 1.00 0.00 C ATOM 0 H VAL A 110 -3.190 -10.013 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.660 -11.475 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.731 -9.906 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.547 -10.010 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.137 -9.495 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.423 -11.160 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.617 -11.543 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.414 -12.753 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.200 -12.139 -3.828 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.939 -13.605 -5.903 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.693 -14.851 -5.938 1.00 0.00 C ATOM 1660 C ILE A 111 -2.820 -15.457 -4.544 1.00 0.00 C ATOM 1661 O ILE A 111 -1.884 -15.405 -3.745 1.00 0.00 O ATOM 1662 CB ILE A 111 -2.036 -15.881 -6.876 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.942 -15.322 -8.297 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.820 -17.184 -6.865 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.560 -15.440 -8.902 1.00 0.00 C ATOM 0 H ILE A 111 -0.939 -13.712 -6.071 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.686 -14.608 -6.317 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.027 -16.084 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.655 -15.847 -8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.237 -14.273 -8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.343 -17.901 -7.533 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.840 -17.588 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.840 -16.998 -7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.567 -15.024 -9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.154 -14.891 -8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.270 -16.490 -8.945 1.00 0.00 H new ATOM 1677 N THR A 112 -3.981 -16.035 -4.259 1.00 0.00 N ATOM 1678 CA THR A 112 -4.230 -16.652 -2.961 1.00 0.00 C ATOM 1679 C THR A 112 -3.629 -18.052 -2.896 1.00 0.00 C ATOM 1680 O THR A 112 -4.269 -19.030 -3.282 1.00 0.00 O ATOM 1681 CB THR A 112 -5.738 -16.739 -2.662 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.455 -17.103 -3.845 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.261 -15.411 -2.134 1.00 0.00 C ATOM 0 H THR A 112 -4.765 -16.089 -4.909 1.00 0.00 H new ATOM 0 HA THR A 112 -3.754 -16.019 -2.212 1.00 0.00 H new ATOM 0 HB THR A 112 -5.890 -17.502 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.418 -17.045 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.328 -15.496 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.735 -15.152 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.095 -14.633 -2.879 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.398 -18.140 -2.401 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.713 -19.422 -2.284 1.00 0.00 C ATOM 1693 C GLN A 113 -0.865 -19.471 -1.016 1.00 0.00 C ATOM 1694 O GLN A 113 -0.171 -18.510 -0.682 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.832 -19.666 -3.510 1.00 0.00 C ATOM 1696 CG GLN A 113 0.436 -18.828 -3.526 1.00 0.00 C ATOM 1697 CD GLN A 113 1.246 -19.019 -4.794 1.00 0.00 C ATOM 1698 OE1 GLN A 113 1.119 -20.034 -5.479 1.00 0.00 O ATOM 1699 NE2 GLN A 113 2.084 -18.040 -5.114 1.00 0.00 N ATOM 0 H GLN A 113 -1.856 -17.340 -2.075 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.468 -20.206 -2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.561 -20.721 -3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.409 -19.453 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.173 -17.775 -3.423 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.050 -19.089 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.157 -17.216 -4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.654 -18.112 -5.957 1.00 0.00 H new