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 90 SER OG : rot -27:sc= 0.39 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.0182 K(o=0.37,f=-2.7!) USER MOD Set 2.1: A 58 MET CE :methyl -179:sc= -1.6 (180deg=-0.73) USER MOD Set 2.2: A 89 TYR OH : rot -30:sc= -0.83 USER MOD Set 3.1: A 56 TYR OH : rot -21:sc= 0.288 USER MOD Set 3.2: A 70 HIS :FLIP no HD1:sc= 0.0504 F(o=-0.3,f=0.34) USER MOD Set 3.3: A 78 THR OG1 : rot 140:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 19 SER OG : rot -57:sc= 0.154 USER MOD Single : A 20 SER OG : rot 60:sc= 0.171 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 166:sc= -5.77! (180deg=-5.83!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.82 USER MOD Single : A 38 GLN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.1) USER MOD Single : A 48 GLN : amide:sc= -0.0445 K(o=-0.045,f=-1.7!) USER MOD Single : A 50 GLN : amide:sc=-0.00592 K(o=-0.0059,f=-0.61) USER MOD Single : A 52 TYR OH : rot 15:sc= -1.01 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.963 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.051) USER MOD Single : A 66 ASN : amide:sc=-0.00164 X(o=-0.0016,f=-0.35) USER MOD Single : A 68 MET CE :methyl -117:sc= -0.248 (180deg=-1.76) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.102) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -2.07! C(o=-4.2!,f=-2.1!) USER MOD Single : A 79 THR OG1 : rot 44:sc= 0.0345 USER MOD Single : A 82 ASN : amide:sc=-0.00821 X(o=-0.0082,f=-0.025) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) 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 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.111 USER MOD Single : A 106 SER OG : rot 180:sc= 0.115 USER MOD Single : A 112 THR OG1 : rot -168:sc= 1.49 USER MOD Single : A 113 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.101 21.170 1.170 1.00 0.00 N ATOM 187 CA GLN A 16 -3.999 20.683 0.129 1.00 0.00 C ATOM 188 C GLN A 16 -4.064 19.160 0.135 1.00 0.00 C ATOM 189 O GLN A 16 -3.441 18.505 0.969 1.00 0.00 O ATOM 190 CB GLN A 16 -3.540 21.182 -1.242 1.00 0.00 C ATOM 191 CG GLN A 16 -4.390 22.314 -1.795 1.00 0.00 C ATOM 192 CD GLN A 16 -3.877 22.835 -3.123 1.00 0.00 C ATOM 193 OE1 GLN A 16 -2.690 22.719 -3.432 1.00 0.00 O ATOM 194 NE2 GLN A 16 -4.770 23.414 -3.917 1.00 0.00 N ATOM 0 HA GLN A 16 -4.997 21.070 0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.506 21.518 -1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.556 20.350 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.416 21.966 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.414 23.131 -1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.743 23.489 -3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.483 23.784 -4.823 1.00 0.00 H new ATOM 203 N ALA A 17 -4.825 18.602 -0.802 1.00 0.00 N ATOM 204 CA ALA A 17 -4.971 17.156 -0.907 1.00 0.00 C ATOM 205 C ALA A 17 -3.640 16.494 -1.250 1.00 0.00 C ATOM 206 O ALA A 17 -2.717 17.127 -1.762 1.00 0.00 O ATOM 207 CB ALA A 17 -6.022 16.805 -1.949 1.00 0.00 C ATOM 0 H ALA A 17 -5.350 19.130 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.297 16.777 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.120 15.722 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.979 17.239 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.721 17.203 -2.918 1.00 0.00 H new ATOM 213 N PRO A 18 -3.537 15.188 -0.963 1.00 0.00 N ATOM 214 CA PRO A 18 -2.325 14.410 -1.233 1.00 0.00 C ATOM 215 C PRO A 18 -2.091 14.200 -2.725 1.00 0.00 C ATOM 216 O PRO A 18 -2.937 13.643 -3.423 1.00 0.00 O ATOM 217 CB PRO A 18 -2.598 13.073 -0.542 1.00 0.00 C ATOM 218 CG PRO A 18 -4.084 12.963 -0.503 1.00 0.00 C ATOM 219 CD PRO A 18 -4.598 14.368 -0.353 1.00 0.00 C ATOM 0 HA PRO A 18 -1.429 14.916 -0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.154 12.244 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.173 13.052 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.466 12.503 -1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.408 12.338 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.552 14.503 -0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.755 14.629 0.694 1.00 0.00 H new ATOM 227 N SER A 19 -0.937 14.652 -3.208 1.00 0.00 N ATOM 228 CA SER A 19 -0.594 14.516 -4.618 1.00 0.00 C ATOM 229 C SER A 19 0.554 13.528 -4.806 1.00 0.00 C ATOM 230 O SER A 19 1.457 13.753 -5.612 1.00 0.00 O ATOM 231 CB SER A 19 -0.210 15.877 -5.205 1.00 0.00 C ATOM 232 OG SER A 19 -0.210 15.840 -6.621 1.00 0.00 O ATOM 0 H SER A 19 -0.225 15.115 -2.643 1.00 0.00 H new ATOM 0 HA SER A 19 -1.469 14.134 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.910 16.637 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.778 16.166 -4.846 1.00 0.00 H new ATOM 0 HG SER A 19 0.401 15.138 -6.930 1.00 0.00 H new ATOM 238 N SER A 20 0.510 12.433 -4.054 1.00 0.00 N ATOM 239 CA SER A 20 1.547 11.410 -4.135 1.00 0.00 C ATOM 240 C SER A 20 0.991 10.041 -3.755 1.00 0.00 C ATOM 241 O SER A 20 0.370 9.880 -2.704 1.00 0.00 O ATOM 242 CB SER A 20 2.718 11.769 -3.217 1.00 0.00 C ATOM 243 OG SER A 20 3.328 10.604 -2.689 1.00 0.00 O ATOM 0 H SER A 20 -0.231 12.231 -3.383 1.00 0.00 H new ATOM 0 HA SER A 20 1.900 11.366 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.455 12.349 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.365 12.400 -2.401 1.00 0.00 H new ATOM 0 HG SER A 20 3.663 10.049 -3.424 1.00 0.00 H new ATOM 249 N ALA A 21 1.219 9.057 -4.619 1.00 0.00 N ATOM 250 CA ALA A 21 0.742 7.701 -4.374 1.00 0.00 C ATOM 251 C ALA A 21 1.508 7.048 -3.228 1.00 0.00 C ATOM 252 O ALA A 21 2.645 7.411 -2.924 1.00 0.00 O ATOM 253 CB ALA A 21 0.864 6.863 -5.638 1.00 0.00 C ATOM 0 H ALA A 21 1.730 9.173 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.308 7.758 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.504 5.853 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.267 7.312 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.908 6.822 -5.948 1.00 0.00 H new ATOM 259 N PRO A 22 0.873 6.063 -2.577 1.00 0.00 N ATOM 260 CA PRO A 22 1.477 5.338 -1.455 1.00 0.00 C ATOM 261 C PRO A 22 2.626 4.439 -1.895 1.00 0.00 C ATOM 262 O PRO A 22 2.617 3.903 -3.004 1.00 0.00 O ATOM 263 CB PRO A 22 0.318 4.498 -0.911 1.00 0.00 C ATOM 264 CG PRO A 22 -0.598 4.321 -2.071 1.00 0.00 C ATOM 265 CD PRO A 22 -0.483 5.579 -2.886 1.00 0.00 C ATOM 0 HA PRO A 22 1.913 6.015 -0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.668 3.538 -0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.183 5.002 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.317 3.448 -2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.624 4.165 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.606 5.381 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.243 6.309 -2.608 1.00 0.00 H new ATOM 273 N ARG A 23 3.614 4.278 -1.022 1.00 0.00 N ATOM 274 CA ARG A 23 4.771 3.444 -1.322 1.00 0.00 C ATOM 275 C ARG A 23 4.811 2.220 -0.411 1.00 0.00 C ATOM 276 O ARG A 23 3.967 2.063 0.472 1.00 0.00 O ATOM 277 CB ARG A 23 6.062 4.249 -1.168 1.00 0.00 C ATOM 278 CG ARG A 23 5.999 5.629 -1.804 1.00 0.00 C ATOM 279 CD ARG A 23 7.357 6.313 -1.785 1.00 0.00 C ATOM 280 NE ARG A 23 8.290 5.703 -2.729 1.00 0.00 N ATOM 281 CZ ARG A 23 9.540 6.118 -2.898 1.00 0.00 C ATOM 282 NH1 ARG A 23 10.005 7.140 -2.191 1.00 0.00 N ATOM 283 NH2 ARG A 23 10.329 5.512 -3.776 1.00 0.00 N ATOM 0 H ARG A 23 3.637 4.714 -0.100 1.00 0.00 H new ATOM 0 HA ARG A 23 4.683 3.105 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.288 4.357 -0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.884 3.690 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.649 5.541 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.273 6.244 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.235 7.369 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.774 6.263 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 23 7.964 4.915 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.402 7.609 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.966 7.456 -2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.976 4.726 -4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.289 5.832 -3.905 1.00 0.00 H new ATOM 297 N ASP A 24 5.795 1.355 -0.631 1.00 0.00 N ATOM 298 CA ASP A 24 5.945 0.146 0.170 1.00 0.00 C ATOM 299 C ASP A 24 4.669 -0.689 0.135 1.00 0.00 C ATOM 300 O ASP A 24 4.394 -1.459 1.056 1.00 0.00 O ATOM 301 CB ASP A 24 6.295 0.507 1.615 1.00 0.00 C ATOM 302 CG ASP A 24 7.039 -0.608 2.325 1.00 0.00 C ATOM 303 OD1 ASP A 24 8.268 -0.716 2.133 1.00 0.00 O ATOM 304 OD2 ASP A 24 6.391 -1.371 3.071 1.00 0.00 O ATOM 0 H ASP A 24 6.501 1.469 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 24 6.756 -0.445 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.905 1.410 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.380 0.735 2.162 1.00 0.00 H new ATOM 309 N VAL A 25 3.893 -0.533 -0.933 1.00 0.00 N ATOM 310 CA VAL A 25 2.647 -1.274 -1.087 1.00 0.00 C ATOM 311 C VAL A 25 2.907 -2.689 -1.589 1.00 0.00 C ATOM 312 O VAL A 25 3.213 -2.895 -2.764 1.00 0.00 O ATOM 313 CB VAL A 25 1.690 -0.562 -2.061 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.347 -1.277 -2.108 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.514 0.896 -1.666 1.00 0.00 C ATOM 0 H VAL A 25 4.105 0.100 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 25 2.182 -1.322 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 25 2.126 -0.593 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.316 -0.760 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.493 -2.304 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.099 -1.280 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.835 1.383 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.100 0.953 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.481 1.399 -1.690 1.00 0.00 H new ATOM 325 N GLN A 26 2.783 -3.662 -0.692 1.00 0.00 N ATOM 326 CA GLN A 26 3.006 -5.059 -1.045 1.00 0.00 C ATOM 327 C GLN A 26 2.059 -5.972 -0.273 1.00 0.00 C ATOM 328 O GLN A 26 1.753 -5.723 0.892 1.00 0.00 O ATOM 329 CB GLN A 26 4.457 -5.454 -0.764 1.00 0.00 C ATOM 330 CG GLN A 26 5.468 -4.681 -1.594 1.00 0.00 C ATOM 331 CD GLN A 26 6.901 -4.982 -1.197 1.00 0.00 C ATOM 332 OE1 GLN A 26 7.542 -4.197 -0.498 1.00 0.00 O ATOM 333 NE2 GLN A 26 7.411 -6.124 -1.643 1.00 0.00 N ATOM 0 H GLN A 26 2.529 -3.509 0.284 1.00 0.00 H new ATOM 0 HA GLN A 26 2.806 -5.175 -2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.670 -5.296 0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.579 -6.520 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.328 -4.923 -2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.281 -3.613 -1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.844 -6.745 -2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.370 -6.380 -1.409 1.00 0.00 H new ATOM 342 N ALA A 27 1.599 -7.032 -0.931 1.00 0.00 N ATOM 343 CA ALA A 27 0.688 -7.984 -0.306 1.00 0.00 C ATOM 344 C ALA A 27 1.357 -9.341 -0.122 1.00 0.00 C ATOM 345 O ALA A 27 1.806 -9.959 -1.088 1.00 0.00 O ATOM 346 CB ALA A 27 -0.579 -8.124 -1.135 1.00 0.00 C ATOM 0 H ALA A 27 1.842 -7.253 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 27 0.422 -7.603 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.250 -8.838 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.073 -7.156 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.323 -8.479 -2.133 1.00 0.00 H new ATOM 352 N ARG A 28 1.419 -9.802 1.123 1.00 0.00 N ATOM 353 CA ARG A 28 2.033 -11.087 1.434 1.00 0.00 C ATOM 354 C ARG A 28 1.013 -12.046 2.037 1.00 0.00 C ATOM 355 O ARG A 28 0.356 -11.726 3.027 1.00 0.00 O ATOM 356 CB ARG A 28 3.204 -10.896 2.399 1.00 0.00 C ATOM 357 CG ARG A 28 2.839 -10.118 3.653 1.00 0.00 C ATOM 358 CD ARG A 28 4.060 -9.855 4.520 1.00 0.00 C ATOM 359 NE ARG A 28 3.695 -9.549 5.901 1.00 0.00 N ATOM 360 CZ ARG A 28 4.571 -9.494 6.898 1.00 0.00 C ATOM 361 NH1 ARG A 28 5.856 -9.724 6.669 1.00 0.00 N ATOM 362 NH2 ARG A 28 4.162 -9.211 8.128 1.00 0.00 N ATOM 0 H ARG A 28 1.051 -9.304 1.933 1.00 0.00 H new ATOM 0 HA ARG A 28 2.404 -11.518 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.589 -11.874 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.010 -10.376 1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.379 -9.170 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.098 -10.676 4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.712 -10.728 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.629 -9.024 4.103 1.00 0.00 H new ATOM 0 HE ARG A 28 2.714 -9.368 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.174 -9.944 5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.526 -9.681 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.174 -9.035 8.309 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.836 -9.169 8.893 1.00 0.00 H new ATOM 376 N MET A 29 0.885 -13.224 1.435 1.00 0.00 N ATOM 377 CA MET A 29 -0.055 -14.229 1.914 1.00 0.00 C ATOM 378 C MET A 29 0.434 -14.855 3.215 1.00 0.00 C ATOM 379 O MET A 29 1.622 -15.144 3.369 1.00 0.00 O ATOM 380 CB MET A 29 -0.256 -15.316 0.855 1.00 0.00 C ATOM 381 CG MET A 29 -1.573 -15.198 0.105 1.00 0.00 C ATOM 382 SD MET A 29 -3.005 -15.458 1.169 1.00 0.00 S ATOM 383 CE MET A 29 -3.841 -16.778 0.296 1.00 0.00 C ATOM 0 H MET A 29 1.421 -13.505 0.614 1.00 0.00 H new ATOM 0 HA MET A 29 -1.009 -13.737 2.105 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.565 -15.271 0.140 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.207 -16.293 1.335 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.639 -14.210 -0.352 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.591 -15.926 -0.706 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.600 -17.219 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.316 -16.378 -0.600 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.117 -17.542 0.013 1.00 0.00 H new ATOM 393 N LEU A 30 -0.486 -15.063 4.150 1.00 0.00 N ATOM 394 CA LEU A 30 -0.147 -15.655 5.440 1.00 0.00 C ATOM 395 C LEU A 30 -0.875 -16.981 5.638 1.00 0.00 C ATOM 396 O LEU A 30 -0.380 -17.874 6.325 1.00 0.00 O ATOM 397 CB LEU A 30 -0.502 -14.691 6.574 1.00 0.00 C ATOM 398 CG LEU A 30 0.030 -13.265 6.433 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.461 -12.396 7.581 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.551 -13.265 6.374 1.00 0.00 C ATOM 0 H LEU A 30 -1.473 -14.831 4.039 1.00 0.00 H new ATOM 0 HA LEU A 30 0.926 -15.845 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.588 -14.646 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.126 -15.107 7.509 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.349 -12.848 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.072 -11.384 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.551 -12.369 7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.112 -12.811 8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.911 -12.241 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.951 -13.702 7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.882 -13.852 5.517 1.00 0.00 H new ATOM 412 N SER A 31 -2.050 -17.102 5.029 1.00 0.00 N ATOM 413 CA SER A 31 -2.846 -18.318 5.140 1.00 0.00 C ATOM 414 C SER A 31 -3.463 -18.689 3.794 1.00 0.00 C ATOM 415 O SER A 31 -3.119 -18.113 2.762 1.00 0.00 O ATOM 416 CB SER A 31 -3.948 -18.139 6.186 1.00 0.00 C ATOM 417 OG SER A 31 -3.962 -19.219 7.104 1.00 0.00 O ATOM 0 H SER A 31 -2.472 -16.373 4.454 1.00 0.00 H new ATOM 0 HA SER A 31 -2.186 -19.127 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.795 -17.203 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.916 -18.067 5.690 1.00 0.00 H new ATOM 0 HG SER A 31 -4.674 -19.079 7.763 1.00 0.00 H new ATOM 423 N SER A 32 -4.376 -19.655 3.814 1.00 0.00 N ATOM 424 CA SER A 32 -5.038 -20.106 2.596 1.00 0.00 C ATOM 425 C SER A 32 -6.110 -19.111 2.161 1.00 0.00 C ATOM 426 O SER A 32 -6.464 -19.038 0.983 1.00 0.00 O ATOM 427 CB SER A 32 -5.664 -21.486 2.812 1.00 0.00 C ATOM 428 OG SER A 32 -4.680 -22.443 3.162 1.00 0.00 O ATOM 0 H SER A 32 -4.674 -20.140 4.660 1.00 0.00 H new ATOM 0 HA SER A 32 -4.288 -20.174 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.416 -21.429 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.177 -21.802 1.904 1.00 0.00 H new ATOM 0 HG SER A 32 -5.105 -23.316 3.296 1.00 0.00 H new ATOM 434 N THR A 33 -6.624 -18.347 3.119 1.00 0.00 N ATOM 435 CA THR A 33 -7.656 -17.358 2.836 1.00 0.00 C ATOM 436 C THR A 33 -7.446 -16.093 3.661 1.00 0.00 C ATOM 437 O THR A 33 -8.405 -15.423 4.047 1.00 0.00 O ATOM 438 CB THR A 33 -9.063 -17.916 3.123 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.082 -18.563 4.400 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.485 -18.900 2.043 1.00 0.00 C ATOM 0 H THR A 33 -6.342 -18.394 4.098 1.00 0.00 H new ATOM 0 HA THR A 33 -7.579 -17.115 1.776 1.00 0.00 H new ATOM 0 HB THR A 33 -9.766 -17.083 3.128 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.980 -18.913 4.576 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.481 -19.281 2.267 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.498 -18.396 1.077 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.779 -19.729 2.010 1.00 0.00 H new ATOM 448 N THR A 34 -6.184 -15.770 3.930 1.00 0.00 N ATOM 449 CA THR A 34 -5.848 -14.586 4.709 1.00 0.00 C ATOM 450 C THR A 34 -4.629 -13.875 4.132 1.00 0.00 C ATOM 451 O THR A 34 -3.544 -14.451 4.051 1.00 0.00 O ATOM 452 CB THR A 34 -5.570 -14.943 6.182 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.112 -16.233 6.484 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.173 -13.902 7.114 1.00 0.00 C ATOM 0 H THR A 34 -5.378 -16.313 3.619 1.00 0.00 H new ATOM 0 HA THR A 34 -6.710 -13.921 4.660 1.00 0.00 H new ATOM 0 HB THR A 34 -4.490 -14.959 6.332 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.930 -16.453 7.421 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.964 -14.175 8.148 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.736 -12.926 6.901 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.251 -13.858 6.961 1.00 0.00 H new ATOM 462 N ILE A 35 -4.815 -12.621 3.733 1.00 0.00 N ATOM 463 CA ILE A 35 -3.729 -11.832 3.165 1.00 0.00 C ATOM 464 C ILE A 35 -3.343 -10.682 4.089 1.00 0.00 C ATOM 465 O ILE A 35 -3.961 -10.476 5.134 1.00 0.00 O ATOM 466 CB ILE A 35 -4.109 -11.262 1.786 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.303 -10.313 1.914 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.423 -12.390 0.814 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.615 -9.560 0.639 1.00 0.00 C ATOM 0 H ILE A 35 -5.707 -12.130 3.793 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.878 -12.504 3.050 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.261 -10.699 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.181 -10.885 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.103 -9.596 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.690 -11.971 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.548 -13.030 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.257 -12.978 1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.472 -8.907 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.752 -8.961 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.846 -10.270 -0.155 1.00 0.00 H new ATOM 481 N LEU A 36 -2.317 -9.934 3.698 1.00 0.00 N ATOM 482 CA LEU A 36 -1.848 -8.803 4.490 1.00 0.00 C ATOM 483 C LEU A 36 -1.355 -7.675 3.590 1.00 0.00 C ATOM 484 O LEU A 36 -0.450 -7.864 2.778 1.00 0.00 O ATOM 485 CB LEU A 36 -0.727 -9.244 5.433 1.00 0.00 C ATOM 486 CG LEU A 36 -0.423 -8.305 6.601 1.00 0.00 C ATOM 487 CD1 LEU A 36 0.180 -9.077 7.764 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.511 -7.188 6.157 1.00 0.00 C ATOM 0 H LEU A 36 -1.794 -10.091 2.837 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.686 -8.433 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.984 -10.223 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.184 -9.370 4.848 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.359 -7.858 6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.390 -8.392 8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.523 -9.840 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.107 -9.553 7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.717 -6.529 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.445 -7.617 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.040 -6.617 5.357 1.00 0.00 H new ATOM 500 N VAL A 37 -1.957 -6.499 3.741 1.00 0.00 N ATOM 501 CA VAL A 37 -1.578 -5.338 2.944 1.00 0.00 C ATOM 502 C VAL A 37 -0.927 -4.266 3.811 1.00 0.00 C ATOM 503 O VAL A 37 -1.549 -3.737 4.731 1.00 0.00 O ATOM 504 CB VAL A 37 -2.795 -4.730 2.223 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.355 -3.645 1.253 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.583 -5.814 1.502 1.00 0.00 C ATOM 0 H VAL A 37 -2.709 -6.325 4.408 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.861 -5.685 2.200 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.446 -4.274 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.229 -3.227 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.838 -2.856 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.682 -4.072 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.440 -5.367 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.943 -6.301 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.932 -6.552 2.225 1.00 0.00 H new ATOM 516 N GLN A 38 0.329 -3.951 3.508 1.00 0.00 N ATOM 517 CA GLN A 38 1.065 -2.941 4.261 1.00 0.00 C ATOM 518 C GLN A 38 1.727 -1.939 3.321 1.00 0.00 C ATOM 519 O GLN A 38 2.265 -2.313 2.280 1.00 0.00 O ATOM 520 CB GLN A 38 2.121 -3.604 5.147 1.00 0.00 C ATOM 521 CG GLN A 38 3.082 -4.499 4.381 1.00 0.00 C ATOM 522 CD GLN A 38 4.460 -4.547 5.010 1.00 0.00 C ATOM 523 OE1 GLN A 38 5.474 -4.448 4.318 1.00 0.00 O ATOM 524 NE2 GLN A 38 4.505 -4.699 6.329 1.00 0.00 N ATOM 0 H GLN A 38 0.857 -4.380 2.748 1.00 0.00 H new ATOM 0 HA GLN A 38 0.357 -2.406 4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.690 -2.830 5.661 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.621 -4.195 5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.673 -5.508 4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.167 -4.141 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.640 -4.777 6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.405 -4.738 6.807 1.00 0.00 H new ATOM 533 N TRP A 39 1.684 -0.665 3.697 1.00 0.00 N ATOM 534 CA TRP A 39 2.280 0.391 2.888 1.00 0.00 C ATOM 535 C TRP A 39 2.769 1.539 3.765 1.00 0.00 C ATOM 536 O TRP A 39 2.570 1.532 4.981 1.00 0.00 O ATOM 537 CB TRP A 39 1.270 0.909 1.863 1.00 0.00 C ATOM 538 CG TRP A 39 0.048 1.511 2.488 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.114 2.808 2.885 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.180 0.842 2.788 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.371 2.984 3.414 1.00 0.00 N ATOM 542 CE2 TRP A 39 -2.044 1.792 3.364 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.636 -0.470 2.624 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.335 1.472 3.777 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -2.917 -0.786 3.035 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.755 0.181 3.605 1.00 0.00 C ATOM 0 H TRP A 39 1.243 -0.339 4.557 1.00 0.00 H new ATOM 0 HA TRP A 39 3.137 -0.029 2.362 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.753 1.656 1.233 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.970 0.088 1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.635 3.581 2.796 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.742 3.859 3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.998 -1.223 2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.982 2.216 4.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.278 -1.797 2.915 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.751 -0.098 3.915 1.00 0.00 H new ATOM 557 N LYS A 40 3.408 2.523 3.142 1.00 0.00 N ATOM 558 CA LYS A 40 3.923 3.679 3.865 1.00 0.00 C ATOM 559 C LYS A 40 3.200 4.954 3.440 1.00 0.00 C ATOM 560 O LYS A 40 2.484 4.966 2.440 1.00 0.00 O ATOM 561 CB LYS A 40 5.427 3.829 3.625 1.00 0.00 C ATOM 562 CG LYS A 40 6.278 3.401 4.808 1.00 0.00 C ATOM 563 CD LYS A 40 7.629 4.096 4.804 1.00 0.00 C ATOM 564 CE LYS A 40 8.071 4.462 6.212 1.00 0.00 C ATOM 565 NZ LYS A 40 9.251 5.370 6.204 1.00 0.00 N ATOM 0 H LYS A 40 3.582 2.543 2.137 1.00 0.00 H new ATOM 0 HA LYS A 40 3.745 3.519 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.708 3.238 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.646 4.870 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.753 3.629 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.423 2.321 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.373 3.445 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.574 4.997 4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.246 4.943 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.315 3.554 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.522 5.596 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.046 4.902 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.011 6.247 5.700 1.00 0.00 H new ATOM 579 N GLU A 41 3.395 6.022 4.206 1.00 0.00 N ATOM 580 CA GLU A 41 2.761 7.301 3.906 1.00 0.00 C ATOM 581 C GLU A 41 3.325 7.900 2.621 1.00 0.00 C ATOM 582 O GLU A 41 4.414 7.546 2.167 1.00 0.00 O ATOM 583 CB GLU A 41 2.958 8.278 5.067 1.00 0.00 C ATOM 584 CG GLU A 41 1.866 8.200 6.120 1.00 0.00 C ATOM 585 CD GLU A 41 2.406 8.318 7.532 1.00 0.00 C ATOM 586 OE1 GLU A 41 3.313 9.148 7.754 1.00 0.00 O ATOM 587 OE2 GLU A 41 1.923 7.578 8.415 1.00 0.00 O ATOM 0 H GLU A 41 3.986 6.028 5.038 1.00 0.00 H new ATOM 0 HA GLU A 41 1.694 7.125 3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.920 8.079 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.999 9.294 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.141 8.995 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.334 7.254 6.017 1.00 0.00 H new ATOM 594 N PRO A 42 2.569 8.831 2.021 1.00 0.00 N ATOM 595 CA PRO A 42 2.973 9.500 0.780 1.00 0.00 C ATOM 596 C PRO A 42 4.147 10.450 0.990 1.00 0.00 C ATOM 597 O PRO A 42 4.529 10.739 2.123 1.00 0.00 O ATOM 598 CB PRO A 42 1.721 10.281 0.374 1.00 0.00 C ATOM 599 CG PRO A 42 0.985 10.507 1.649 1.00 0.00 C ATOM 600 CD PRO A 42 1.261 9.303 2.506 1.00 0.00 C ATOM 0 HA PRO A 42 3.312 8.790 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.981 11.225 -0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.117 9.718 -0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.324 11.420 2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.084 10.620 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.295 9.562 3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.490 8.541 2.389 1.00 0.00 H new ATOM 608 N GLU A 43 4.718 10.931 -0.111 1.00 0.00 N ATOM 609 CA GLU A 43 5.850 11.848 -0.046 1.00 0.00 C ATOM 610 C GLU A 43 5.374 13.298 -0.010 1.00 0.00 C ATOM 611 O GLU A 43 6.066 14.175 0.506 1.00 0.00 O ATOM 612 CB GLU A 43 6.777 11.633 -1.244 1.00 0.00 C ATOM 613 CG GLU A 43 6.065 11.698 -2.585 1.00 0.00 C ATOM 614 CD GLU A 43 6.925 12.311 -3.673 1.00 0.00 C ATOM 615 OE1 GLU A 43 8.037 11.795 -3.909 1.00 0.00 O ATOM 616 OE2 GLU A 43 6.486 13.305 -4.288 1.00 0.00 O ATOM 0 H GLU A 43 4.415 10.701 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 43 6.400 11.642 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.564 12.387 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.263 10.662 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.769 10.692 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.150 12.281 -2.479 1.00 0.00 H new ATOM 623 N GLU A 44 4.189 13.539 -0.561 1.00 0.00 N ATOM 624 CA GLU A 44 3.622 14.882 -0.593 1.00 0.00 C ATOM 625 C GLU A 44 2.235 14.903 0.043 1.00 0.00 C ATOM 626 O GLU A 44 1.214 15.008 -0.638 1.00 0.00 O ATOM 627 CB GLU A 44 3.542 15.392 -2.033 1.00 0.00 C ATOM 628 CG GLU A 44 4.896 15.509 -2.713 1.00 0.00 C ATOM 629 CD GLU A 44 5.174 16.910 -3.224 1.00 0.00 C ATOM 630 OE1 GLU A 44 5.002 17.870 -2.444 1.00 0.00 O ATOM 631 OE2 GLU A 44 5.563 17.046 -4.403 1.00 0.00 O ATOM 0 H GLU A 44 3.603 12.823 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 44 4.276 15.538 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.910 14.719 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.057 16.368 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.677 15.221 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.942 14.807 -3.546 1.00 0.00 H new ATOM 638 N PRO A 45 2.195 14.800 1.379 1.00 0.00 N ATOM 639 CA PRO A 45 0.941 14.803 2.137 1.00 0.00 C ATOM 640 C PRO A 45 0.173 16.112 1.981 1.00 0.00 C ATOM 641 O PRO A 45 -1.003 16.113 1.622 1.00 0.00 O ATOM 642 CB PRO A 45 1.400 14.622 3.586 1.00 0.00 C ATOM 643 CG PRO A 45 2.831 15.036 3.584 1.00 0.00 C ATOM 644 CD PRO A 45 3.373 14.671 2.254 1.00 0.00 C ATOM 0 HA PRO A 45 0.256 14.028 1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.811 15.236 4.268 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.287 13.588 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.925 16.108 3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.382 14.533 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.180 15.337 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.776 13.658 2.245 1.00 0.00 H new ATOM 652 N ASN A 46 0.848 17.223 2.254 1.00 0.00 N ATOM 653 CA ASN A 46 0.229 18.539 2.144 1.00 0.00 C ATOM 654 C ASN A 46 -0.920 18.685 3.139 1.00 0.00 C ATOM 655 O ASN A 46 -1.888 19.400 2.883 1.00 0.00 O ATOM 656 CB ASN A 46 -0.283 18.769 0.720 1.00 0.00 C ATOM 657 CG ASN A 46 0.716 18.325 -0.331 1.00 0.00 C ATOM 658 OD1 ASN A 46 1.884 18.714 -0.297 1.00 0.00 O ATOM 659 ND2 ASN A 46 0.261 17.507 -1.273 1.00 0.00 N ATOM 0 H ASN A 46 1.823 17.239 2.553 1.00 0.00 H new ATOM 0 HA ASN A 46 0.986 19.289 2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.218 18.227 0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.505 19.827 0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.887 17.176 -2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.715 17.210 -1.263 1.00 0.00 H new ATOM 666 N GLY A 47 -0.803 18.003 4.273 1.00 0.00 N ATOM 667 CA GLY A 47 -1.837 18.070 5.289 1.00 0.00 C ATOM 668 C GLY A 47 -1.872 16.832 6.163 1.00 0.00 C ATOM 669 O GLY A 47 -1.236 15.826 5.851 1.00 0.00 O ATOM 0 H GLY A 47 -0.011 17.405 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.672 18.948 5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.807 18.199 4.808 1.00 0.00 H new ATOM 673 N GLN A 48 -2.618 16.906 7.261 1.00 0.00 N ATOM 674 CA GLN A 48 -2.731 15.783 8.184 1.00 0.00 C ATOM 675 C GLN A 48 -3.573 14.664 7.579 1.00 0.00 C ATOM 676 O GLN A 48 -4.764 14.840 7.322 1.00 0.00 O ATOM 677 CB GLN A 48 -3.347 16.242 9.507 1.00 0.00 C ATOM 678 CG GLN A 48 -2.442 16.023 10.708 1.00 0.00 C ATOM 679 CD GLN A 48 -2.828 16.885 11.895 1.00 0.00 C ATOM 680 OE1 GLN A 48 -3.721 17.728 11.800 1.00 0.00 O ATOM 681 NE2 GLN A 48 -2.156 16.676 13.021 1.00 0.00 N ATOM 0 H GLN A 48 -3.153 17.731 7.533 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.729 15.398 8.372 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.592 17.302 9.436 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.284 15.708 9.666 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.479 14.973 10.999 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.412 16.240 10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.424 15.967 13.054 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.372 17.225 13.853 1.00 0.00 H new ATOM 690 N ILE A 49 -2.945 13.514 7.354 1.00 0.00 N ATOM 691 CA ILE A 49 -3.637 12.367 6.779 1.00 0.00 C ATOM 692 C ILE A 49 -4.694 11.827 7.737 1.00 0.00 C ATOM 693 O ILE A 49 -4.410 11.561 8.904 1.00 0.00 O ATOM 694 CB ILE A 49 -2.654 11.235 6.428 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.599 11.735 5.438 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.403 10.043 5.853 1.00 0.00 C ATOM 697 CD1 ILE A 49 -2.173 12.141 4.098 1.00 0.00 C ATOM 0 H ILE A 49 -1.959 13.352 7.561 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.120 12.715 5.866 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.149 10.917 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.078 12.587 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.857 10.952 5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.695 9.251 5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.120 9.676 6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.932 10.347 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.369 12.485 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.670 11.285 3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.894 12.946 4.240 1.00 0.00 H new ATOM 709 N GLN A 50 -5.914 11.666 7.233 1.00 0.00 N ATOM 710 CA GLN A 50 -7.013 11.157 8.044 1.00 0.00 C ATOM 711 C GLN A 50 -7.136 9.643 7.904 1.00 0.00 C ATOM 712 O GLN A 50 -7.636 8.966 8.802 1.00 0.00 O ATOM 713 CB GLN A 50 -8.327 11.826 7.637 1.00 0.00 C ATOM 714 CG GLN A 50 -8.304 13.341 7.768 1.00 0.00 C ATOM 715 CD GLN A 50 -8.338 13.802 9.212 1.00 0.00 C ATOM 716 OE1 GLN A 50 -9.034 13.222 10.045 1.00 0.00 O ATOM 717 NE2 GLN A 50 -7.584 14.853 9.515 1.00 0.00 N ATOM 0 H GLN A 50 -6.165 11.881 6.268 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.801 11.392 9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.555 11.562 6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.134 11.428 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.406 13.730 7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.158 13.761 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.022 15.303 8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.567 15.210 10.470 1.00 0.00 H new ATOM 726 N GLY A 51 -6.676 9.118 6.772 1.00 0.00 N ATOM 727 CA GLY A 51 -6.745 7.688 6.536 1.00 0.00 C ATOM 728 C GLY A 51 -6.406 7.319 5.105 1.00 0.00 C ATOM 729 O GLY A 51 -5.743 8.082 4.402 1.00 0.00 O ATOM 0 H GLY A 51 -6.257 9.658 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.059 7.178 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.748 7.332 6.772 1.00 0.00 H new ATOM 733 N TYR A 52 -6.861 6.149 4.675 1.00 0.00 N ATOM 734 CA TYR A 52 -6.599 5.679 3.319 1.00 0.00 C ATOM 735 C TYR A 52 -7.757 4.830 2.804 1.00 0.00 C ATOM 736 O TYR A 52 -8.709 4.551 3.532 1.00 0.00 O ATOM 737 CB TYR A 52 -5.301 4.869 3.280 1.00 0.00 C ATOM 738 CG TYR A 52 -4.132 5.564 3.940 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.905 5.438 5.306 1.00 0.00 C ATOM 740 CD2 TYR A 52 -3.257 6.348 3.200 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.839 6.072 5.913 1.00 0.00 C ATOM 742 CE2 TYR A 52 -2.187 6.984 3.799 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.983 6.844 5.156 1.00 0.00 C ATOM 744 OH TYR A 52 -0.919 7.477 5.757 1.00 0.00 O ATOM 0 H TYR A 52 -7.413 5.508 5.245 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.496 6.551 2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.467 3.910 3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.047 4.656 2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.573 4.834 5.902 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.416 6.463 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.676 5.964 6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.514 7.588 3.208 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.773 7.096 6.648 1.00 0.00 H new ATOM 754 N ARG A 53 -7.668 4.425 1.540 1.00 0.00 N ATOM 755 CA ARG A 53 -8.708 3.608 0.925 1.00 0.00 C ATOM 756 C ARG A 53 -8.097 2.455 0.135 1.00 0.00 C ATOM 757 O ARG A 53 -7.138 2.641 -0.615 1.00 0.00 O ATOM 758 CB ARG A 53 -9.581 4.465 0.006 1.00 0.00 C ATOM 759 CG ARG A 53 -10.859 3.774 -0.438 1.00 0.00 C ATOM 760 CD ARG A 53 -11.888 4.775 -0.940 1.00 0.00 C ATOM 761 NE ARG A 53 -12.601 5.423 0.157 1.00 0.00 N ATOM 762 CZ ARG A 53 -13.772 6.034 0.014 1.00 0.00 C ATOM 763 NH1 ARG A 53 -14.359 6.079 -1.174 1.00 0.00 N ATOM 764 NH2 ARG A 53 -14.358 6.600 1.060 1.00 0.00 N ATOM 0 H ARG A 53 -6.887 4.649 0.923 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.327 3.192 1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.839 5.390 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.003 4.742 -0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.631 3.058 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.276 3.208 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.391 5.532 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.603 4.267 -1.587 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.177 5.406 1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.912 5.644 -1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.258 6.549 -1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.910 6.567 1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.257 7.069 0.949 1.00 0.00 H new ATOM 778 N VAL A 54 -8.659 1.263 0.308 1.00 0.00 N ATOM 779 CA VAL A 54 -8.172 0.080 -0.390 1.00 0.00 C ATOM 780 C VAL A 54 -9.227 -0.472 -1.342 1.00 0.00 C ATOM 781 O VAL A 54 -10.426 -0.365 -1.085 1.00 0.00 O ATOM 782 CB VAL A 54 -7.762 -1.027 0.602 1.00 0.00 C ATOM 783 CG1 VAL A 54 -7.125 -2.194 -0.136 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.819 -0.473 1.658 1.00 0.00 C ATOM 0 H VAL A 54 -9.452 1.091 0.926 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.297 0.389 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.658 -1.392 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.842 -2.966 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.838 -2.605 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.238 -1.848 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.540 -1.268 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.924 -0.080 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.316 0.327 2.206 1.00 0.00 H new ATOM 794 N TYR A 55 -8.773 -1.061 -2.442 1.00 0.00 N ATOM 795 CA TYR A 55 -9.677 -1.628 -3.435 1.00 0.00 C ATOM 796 C TYR A 55 -9.255 -3.045 -3.812 1.00 0.00 C ATOM 797 O TYR A 55 -8.176 -3.256 -4.366 1.00 0.00 O ATOM 798 CB TYR A 55 -9.715 -0.746 -4.684 1.00 0.00 C ATOM 799 CG TYR A 55 -9.965 0.716 -4.386 1.00 0.00 C ATOM 800 CD1 TYR A 55 -8.926 1.553 -3.999 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.239 1.258 -4.491 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.149 2.888 -3.725 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.472 2.593 -4.221 1.00 0.00 C ATOM 804 CZ TYR A 55 -10.424 3.404 -3.838 1.00 0.00 C ATOM 805 OH TYR A 55 -10.650 4.734 -3.566 1.00 0.00 O ATOM 0 H TYR A 55 -7.783 -1.158 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.674 -1.670 -2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.769 -0.843 -5.216 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.495 -1.110 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.927 1.153 -3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -12.062 0.625 -4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.330 3.525 -3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.469 2.999 -4.309 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.600 4.937 -3.694 1.00 0.00 H new ATOM 815 N TYR A 56 -10.113 -4.012 -3.508 1.00 0.00 N ATOM 816 CA TYR A 56 -9.830 -5.409 -3.812 1.00 0.00 C ATOM 817 C TYR A 56 -11.108 -6.157 -4.180 1.00 0.00 C ATOM 818 O TYR A 56 -12.115 -6.073 -3.476 1.00 0.00 O ATOM 819 CB TYR A 56 -9.155 -6.087 -2.618 1.00 0.00 C ATOM 820 CG TYR A 56 -10.072 -6.276 -1.432 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.370 -5.219 -0.581 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.643 -7.515 -1.161 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.207 -5.388 0.504 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.483 -7.693 -0.079 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.761 -6.627 0.751 1.00 0.00 C ATOM 826 OH TYR A 56 -12.597 -6.800 1.830 1.00 0.00 O ATOM 0 H TYR A 56 -11.011 -3.854 -3.051 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.155 -5.438 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.774 -7.059 -2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.295 -5.491 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.939 -4.247 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.426 -8.352 -1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.427 -4.555 1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -11.920 -8.661 0.116 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.438 -6.088 2.484 1.00 0.00 H new ATOM 836 N THR A 57 -11.059 -6.890 -5.287 1.00 0.00 N ATOM 837 CA THR A 57 -12.210 -7.653 -5.750 1.00 0.00 C ATOM 838 C THR A 57 -11.789 -8.751 -6.721 1.00 0.00 C ATOM 839 O THR A 57 -10.868 -8.569 -7.516 1.00 0.00 O ATOM 840 CB THR A 57 -13.246 -6.745 -6.439 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.458 -7.471 -6.672 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.707 -6.212 -7.758 1.00 0.00 C ATOM 0 H THR A 57 -10.233 -6.971 -5.880 1.00 0.00 H new ATOM 0 HA THR A 57 -12.663 -8.106 -4.868 1.00 0.00 H new ATOM 0 HB THR A 57 -13.450 -5.901 -5.780 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.111 -6.885 -7.109 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.456 -5.574 -8.226 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.801 -5.634 -7.574 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.476 -7.046 -8.421 1.00 0.00 H new ATOM 850 N MET A 58 -12.471 -9.890 -6.650 1.00 0.00 N ATOM 851 CA MET A 58 -12.168 -11.017 -7.525 1.00 0.00 C ATOM 852 C MET A 58 -12.459 -10.668 -8.981 1.00 0.00 C ATOM 853 O MET A 58 -11.886 -11.259 -9.897 1.00 0.00 O ATOM 854 CB MET A 58 -12.979 -12.246 -7.109 1.00 0.00 C ATOM 855 CG MET A 58 -14.465 -11.968 -6.954 1.00 0.00 C ATOM 856 SD MET A 58 -15.436 -13.474 -6.758 1.00 0.00 S ATOM 857 CE MET A 58 -14.440 -14.366 -5.566 1.00 0.00 C ATOM 0 H MET A 58 -13.236 -10.057 -5.996 1.00 0.00 H new ATOM 0 HA MET A 58 -11.106 -11.244 -7.430 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.840 -13.032 -7.852 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.588 -12.627 -6.165 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.622 -11.324 -6.089 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.822 -11.421 -7.827 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.902 -15.331 -5.355 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.441 -14.523 -5.972 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.371 -13.788 -4.645 1.00 0.00 H new ATOM 867 N ASP A 59 -13.352 -9.708 -9.187 1.00 0.00 N ATOM 868 CA ASP A 59 -13.719 -9.281 -10.532 1.00 0.00 C ATOM 869 C ASP A 59 -13.254 -7.852 -10.795 1.00 0.00 C ATOM 870 O ASP A 59 -14.041 -6.905 -10.788 1.00 0.00 O ATOM 871 CB ASP A 59 -15.234 -9.381 -10.727 1.00 0.00 C ATOM 872 CG ASP A 59 -15.726 -10.814 -10.705 1.00 0.00 C ATOM 873 OD1 ASP A 59 -15.073 -11.676 -11.330 1.00 0.00 O ATOM 874 OD2 ASP A 59 -16.766 -11.074 -10.064 1.00 0.00 O ATOM 0 H ASP A 59 -13.836 -9.210 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.224 -9.942 -11.243 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.737 -8.815 -9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.507 -8.921 -11.677 1.00 0.00 H new ATOM 879 N PRO A 60 -11.943 -7.690 -11.031 1.00 0.00 N ATOM 880 CA PRO A 60 -11.343 -6.380 -11.298 1.00 0.00 C ATOM 881 C PRO A 60 -11.755 -5.821 -12.656 1.00 0.00 C ATOM 882 O PRO A 60 -11.473 -4.665 -12.976 1.00 0.00 O ATOM 883 CB PRO A 60 -9.839 -6.667 -11.274 1.00 0.00 C ATOM 884 CG PRO A 60 -9.723 -8.110 -11.622 1.00 0.00 C ATOM 885 CD PRO A 60 -10.947 -8.774 -11.053 1.00 0.00 C ATOM 0 HA PRO A 60 -11.660 -5.631 -10.572 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.305 -6.043 -11.991 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.412 -6.461 -10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.671 -8.248 -12.702 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.814 -8.541 -11.201 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.275 -9.609 -11.672 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.762 -9.170 -10.055 1.00 0.00 H new ATOM 941 N VAL A 64 -13.318 0.450 -10.371 1.00 0.00 N ATOM 942 CA VAL A 64 -12.887 0.461 -8.979 1.00 0.00 C ATOM 943 C VAL A 64 -13.990 0.982 -8.065 1.00 0.00 C ATOM 944 O VAL A 64 -14.025 0.668 -6.876 1.00 0.00 O ATOM 945 CB VAL A 64 -11.627 1.328 -8.788 1.00 0.00 C ATOM 946 CG1 VAL A 64 -10.399 0.612 -9.330 1.00 0.00 C ATOM 947 CG2 VAL A 64 -11.806 2.681 -9.461 1.00 0.00 C ATOM 0 HA VAL A 64 -12.655 -0.570 -8.713 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.479 1.495 -7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.519 1.239 -9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.263 -0.330 -8.799 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.533 0.413 -10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.907 3.281 -9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.979 2.537 -10.528 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.660 3.196 -9.021 1.00 0.00 H new ATOM 957 N ASN A 65 -14.892 1.778 -8.630 1.00 0.00 N ATOM 958 CA ASN A 65 -15.998 2.342 -7.866 1.00 0.00 C ATOM 959 C ASN A 65 -17.020 1.266 -7.511 1.00 0.00 C ATOM 960 O ASN A 65 -17.817 1.433 -6.589 1.00 0.00 O ATOM 961 CB ASN A 65 -16.676 3.462 -8.660 1.00 0.00 C ATOM 962 CG ASN A 65 -16.984 4.674 -7.802 1.00 0.00 C ATOM 963 OD1 ASN A 65 -17.735 4.585 -6.831 1.00 0.00 O ATOM 964 ND2 ASN A 65 -16.406 5.815 -8.160 1.00 0.00 N ATOM 0 H ASN A 65 -14.878 2.047 -9.614 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.594 2.754 -6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.031 3.760 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.601 3.085 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.578 6.664 -7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.790 5.842 -8.973 1.00 0.00 H new ATOM 971 N ASN A 66 -16.987 0.162 -8.250 1.00 0.00 N ATOM 972 CA ASN A 66 -17.910 -0.943 -8.014 1.00 0.00 C ATOM 973 C ASN A 66 -17.244 -2.041 -7.190 1.00 0.00 C ATOM 974 O ASN A 66 -17.920 -2.879 -6.592 1.00 0.00 O ATOM 975 CB ASN A 66 -18.403 -1.516 -9.344 1.00 0.00 C ATOM 976 CG ASN A 66 -19.558 -2.483 -9.164 1.00 0.00 C ATOM 977 OD1 ASN A 66 -19.357 -3.654 -8.846 1.00 0.00 O ATOM 978 ND2 ASN A 66 -20.775 -1.994 -9.367 1.00 0.00 N ATOM 0 H ASN A 66 -16.332 0.008 -9.017 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.762 -0.559 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.714 -0.699 -9.995 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.580 -2.026 -9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -21.591 -2.597 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -20.894 -1.016 -9.630 1.00 0.00 H new ATOM 985 N TRP A 67 -15.916 -2.030 -7.163 1.00 0.00 N ATOM 986 CA TRP A 67 -15.159 -3.024 -6.412 1.00 0.00 C ATOM 987 C TRP A 67 -15.657 -3.115 -4.973 1.00 0.00 C ATOM 988 O TRP A 67 -16.443 -2.282 -4.525 1.00 0.00 O ATOM 989 CB TRP A 67 -13.669 -2.678 -6.427 1.00 0.00 C ATOM 990 CG TRP A 67 -13.012 -2.943 -7.748 1.00 0.00 C ATOM 991 CD1 TRP A 67 -13.629 -3.071 -8.960 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.611 -3.115 -7.990 1.00 0.00 C ATOM 993 NE1 TRP A 67 -12.696 -3.311 -9.939 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.451 -3.342 -9.370 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.476 -3.097 -7.174 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -10.202 -3.551 -9.950 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -9.238 -3.304 -7.751 1.00 0.00 C ATOM 998 CH2 TRP A 67 -9.108 -3.528 -9.128 1.00 0.00 C ATOM 0 H TRP A 67 -15.342 -1.344 -7.652 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.305 -3.993 -6.890 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.545 -1.626 -6.172 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -13.161 -3.255 -5.654 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -14.694 -2.995 -9.124 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -12.898 -3.445 -10.930 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.565 -2.924 -6.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -10.100 -3.725 -11.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.355 -3.293 -7.130 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -8.126 -3.685 -9.549 1.00 0.00 H new ATOM 1009 N MET A 68 -15.194 -4.133 -4.255 1.00 0.00 N ATOM 1010 CA MET A 68 -15.592 -4.331 -2.866 1.00 0.00 C ATOM 1011 C MET A 68 -15.101 -3.184 -1.990 1.00 0.00 C ATOM 1012 O MET A 68 -15.828 -2.690 -1.128 1.00 0.00 O ATOM 1013 CB MET A 68 -15.045 -5.659 -2.341 1.00 0.00 C ATOM 1014 CG MET A 68 -16.129 -6.654 -1.957 1.00 0.00 C ATOM 1015 SD MET A 68 -15.719 -8.345 -2.428 1.00 0.00 S ATOM 1016 CE MET A 68 -14.414 -8.716 -1.258 1.00 0.00 C ATOM 0 H MET A 68 -14.543 -4.833 -4.612 1.00 0.00 H new ATOM 0 HA MET A 68 -16.681 -4.354 -2.827 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.406 -6.106 -3.103 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.417 -5.465 -1.472 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.292 -6.610 -0.880 1.00 0.00 H new ATOM 0 HG3 MET A 68 -17.066 -6.366 -2.433 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.485 -8.902 -1.796 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.279 -7.871 -0.583 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.683 -9.601 -0.681 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.861 -2.762 -2.216 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.271 -1.672 -1.448 1.00 0.00 C ATOM 1028 C LYS A 69 -13.144 -2.050 0.023 1.00 0.00 C ATOM 1029 O LYS A 69 -13.830 -2.951 0.505 1.00 0.00 O ATOM 1030 CB LYS A 69 -14.118 -0.405 -1.590 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.471 -0.066 -3.028 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.497 1.052 -3.102 1.00 0.00 C ATOM 1033 CE LYS A 69 -15.365 1.845 -4.393 1.00 0.00 C ATOM 1034 NZ LYS A 69 -15.891 3.231 -4.249 1.00 0.00 N ATOM 0 H LYS A 69 -13.245 -3.159 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.273 -1.481 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.038 -0.527 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.578 0.434 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.570 0.230 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.862 -0.953 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.500 0.632 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.372 1.719 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.317 1.883 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.904 1.333 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.561 3.812 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.931 3.209 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.549 3.641 -3.357 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.263 -1.352 0.735 1.00 0.00 N ATOM 1049 CA HIS A 70 -12.047 -1.614 2.154 1.00 0.00 C ATOM 1050 C HIS A 70 -12.041 -0.313 2.951 1.00 0.00 C ATOM 1051 O HIS A 70 -12.297 0.760 2.407 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.730 -2.360 2.362 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.802 -3.422 3.416 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -11.784 -4.305 3.717 1.00 0.00 N flip ATOM 1055 CD2 HIS A 70 -9.782 -3.665 4.311 1.00 0.00 C flip ATOM 1056 CE1 HIS A 70 -11.341 -5.059 4.776 1.00 0.00 C flip ATOM 1057 NE2 HIS A 70 -10.131 -4.654 5.115 1.00 0.00 N flip ATOM 0 H HIS A 70 -11.688 -0.601 0.352 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.867 -2.236 2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.427 -2.816 1.419 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.955 -1.643 2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.844 -3.131 4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.893 -5.855 5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.562 -5.039 5.869 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.746 -0.418 4.242 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.707 0.751 5.115 1.00 0.00 C ATOM 1067 C ASN A 71 -10.366 0.846 5.836 1.00 0.00 C ATOM 1068 O ASN A 71 -9.736 -0.168 6.135 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.845 0.688 6.136 1.00 0.00 C ATOM 1070 CG ASN A 71 -13.849 1.809 5.951 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -14.957 1.589 5.459 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -13.467 3.018 6.345 1.00 0.00 N ATOM 0 H ASN A 71 -11.530 -1.300 4.708 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.831 1.640 4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.355 -0.271 6.049 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.430 0.738 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.101 3.811 6.245 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.540 3.154 6.747 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.935 2.073 6.113 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.671 2.303 6.800 1.00 0.00 C ATOM 1081 C VAL A 72 -8.730 3.564 7.655 1.00 0.00 C ATOM 1082 O VAL A 72 -9.364 4.550 7.280 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.504 2.426 5.803 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -6.200 2.699 6.537 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.394 1.168 4.955 1.00 0.00 C ATOM 0 H VAL A 72 -10.444 2.923 5.871 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.500 1.440 7.443 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.703 3.268 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.387 2.783 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.286 3.630 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.991 1.880 7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.564 1.272 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.219 0.308 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.320 1.022 4.399 1.00 0.00 H new ATOM 1095 N ALA A 73 -8.064 3.526 8.804 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.039 4.667 9.710 1.00 0.00 C ATOM 1097 C ALA A 73 -6.615 4.986 10.153 1.00 0.00 C ATOM 1098 O ALA A 73 -6.271 4.839 11.326 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.922 4.400 10.920 1.00 0.00 C ATOM 0 H ALA A 73 -7.535 2.717 9.129 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.428 5.533 9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.894 5.261 11.588 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.947 4.229 10.592 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.559 3.519 11.448 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.790 5.422 9.207 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.403 5.762 9.498 1.00 0.00 C ATOM 1107 C ASP A 74 -3.706 4.618 10.229 1.00 0.00 C ATOM 1108 O ASP A 74 -3.205 4.791 11.340 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.334 7.037 10.340 1.00 0.00 C ATOM 1110 CG ASP A 74 -2.953 7.662 10.334 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.256 7.548 9.303 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.568 8.262 11.359 1.00 0.00 O ATOM 0 H ASP A 74 -6.059 5.548 8.231 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.890 5.932 8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.058 7.759 9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.621 6.807 11.366 1.00 0.00 H new ATOM 1117 N SER A 75 -3.677 3.449 9.597 1.00 0.00 N ATOM 1118 CA SER A 75 -3.045 2.276 10.187 1.00 0.00 C ATOM 1119 C SER A 75 -1.855 1.819 9.350 1.00 0.00 C ATOM 1120 O SER A 75 -0.929 1.189 9.860 1.00 0.00 O ATOM 1121 CB SER A 75 -4.058 1.136 10.318 1.00 0.00 C ATOM 1122 OG SER A 75 -4.145 0.682 11.657 1.00 0.00 O ATOM 0 H SER A 75 -4.084 3.290 8.676 1.00 0.00 H new ATOM 0 HA SER A 75 -2.685 2.550 11.179 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.038 1.476 9.982 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.767 0.310 9.669 1.00 0.00 H new ATOM 0 HG SER A 75 -4.800 -0.045 11.714 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.887 2.143 8.061 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.811 1.767 7.152 1.00 0.00 C ATOM 1130 C GLN A 76 -0.686 0.250 7.056 1.00 0.00 C ATOM 1131 O GLN A 76 0.347 -0.272 6.633 1.00 0.00 O ATOM 1132 CB GLN A 76 0.514 2.372 7.618 1.00 0.00 C ATOM 1133 CG GLN A 76 0.895 3.644 6.878 1.00 0.00 C ATOM 1134 CD GLN A 76 1.916 4.474 7.632 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.613 5.348 6.916 1.00 0.00 O flip ATOM 1136 NE2 GLN A 76 2.076 4.330 8.844 1.00 0.00 N flip ATOM 0 H GLN A 76 -2.646 2.665 7.623 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.051 2.157 6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.451 2.587 8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.306 1.635 7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.296 3.384 5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.000 4.243 6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.518 3.646 9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.767 4.895 9.338 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.741 -0.453 7.453 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.748 -1.909 7.412 1.00 0.00 C ATOM 1147 C ILE A 77 -3.162 -2.458 7.577 1.00 0.00 C ATOM 1148 O ILE A 77 -3.918 -2.007 8.437 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.847 -2.509 8.507 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.700 -4.018 8.308 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.413 -2.203 9.885 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.360 -4.644 9.188 1.00 0.00 C ATOM 0 H ILE A 77 -2.602 -0.037 7.807 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.360 -2.197 6.435 1.00 0.00 H new ATOM 0 HB ILE A 77 0.141 -2.055 8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.658 -4.498 8.510 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.458 -4.217 7.264 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.765 -2.634 10.648 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.469 -1.123 10.024 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.411 -2.632 9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.409 -5.715 8.993 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.327 -4.191 8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.109 -4.477 10.235 1.00 0.00 H new ATOM 1164 N THR A 78 -3.513 -3.435 6.746 1.00 0.00 N ATOM 1165 CA THR A 78 -4.835 -4.046 6.800 1.00 0.00 C ATOM 1166 C THR A 78 -4.778 -5.516 6.404 1.00 0.00 C ATOM 1167 O THR A 78 -4.099 -5.887 5.446 1.00 0.00 O ATOM 1168 CB THR A 78 -5.829 -3.315 5.877 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.157 -3.801 6.104 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.455 -3.512 4.415 1.00 0.00 C ATOM 0 H THR A 78 -2.900 -3.820 6.028 1.00 0.00 H new ATOM 0 HA THR A 78 -5.180 -3.964 7.831 1.00 0.00 H new ATOM 0 HB THR A 78 -5.788 -2.250 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.788 -3.051 6.082 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.171 -2.987 3.782 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.455 -3.115 4.239 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.471 -4.575 4.176 1.00 0.00 H new ATOM 1178 N THR A 79 -5.497 -6.352 7.147 1.00 0.00 N ATOM 1179 CA THR A 79 -5.527 -7.784 6.874 1.00 0.00 C ATOM 1180 C THR A 79 -6.896 -8.217 6.359 1.00 0.00 C ATOM 1181 O THR A 79 -7.903 -8.075 7.053 1.00 0.00 O ATOM 1182 CB THR A 79 -5.181 -8.604 8.131 1.00 0.00 C ATOM 1183 OG1 THR A 79 -5.846 -8.052 9.273 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.679 -8.620 8.371 1.00 0.00 C ATOM 0 H THR A 79 -6.066 -6.062 7.942 1.00 0.00 H new ATOM 0 HA THR A 79 -4.776 -7.975 6.107 1.00 0.00 H new ATOM 0 HB THR A 79 -5.518 -9.629 7.974 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.771 -7.831 9.038 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.459 -9.205 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.178 -9.067 7.512 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.322 -7.600 8.509 1.00 0.00 H new ATOM 1192 N ILE A 80 -6.924 -8.743 5.139 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.170 -9.198 4.534 1.00 0.00 C ATOM 1194 C ILE A 80 -8.240 -10.721 4.498 1.00 0.00 C ATOM 1195 O ILE A 80 -7.234 -11.394 4.278 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.331 -8.654 3.102 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.302 -7.124 3.108 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.625 -9.162 2.485 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.234 -6.516 1.724 1.00 0.00 C ATOM 0 H ILE A 80 -6.100 -8.865 4.551 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.981 -8.814 5.154 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.498 -9.012 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.193 -6.754 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.442 -6.787 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.725 -8.769 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.609 -10.251 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.470 -8.830 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.217 -5.429 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.329 -6.857 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.107 -6.823 1.148 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.437 -11.258 4.715 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.617 -12.697 4.702 1.00 0.00 C ATOM 1213 C GLY A 81 -10.962 -13.109 4.136 1.00 0.00 C ATOM 1214 O GLY A 81 -11.650 -12.306 3.508 1.00 0.00 O ATOM 0 H GLY A 81 -10.285 -10.722 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.823 -13.154 4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.521 -13.081 5.718 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.336 -14.364 4.357 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.607 -14.881 3.862 1.00 0.00 C ATOM 1220 C ASN A 82 -12.646 -14.862 2.338 1.00 0.00 C ATOM 1221 O ASN A 82 -13.679 -14.566 1.735 1.00 0.00 O ATOM 1222 CB ASN A 82 -13.770 -14.060 4.424 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.067 -14.842 4.458 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.176 -15.855 5.148 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.060 -14.373 3.711 1.00 0.00 N ATOM 0 H ASN A 82 -10.778 -15.042 4.875 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.705 -15.914 4.197 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.523 -13.728 5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.905 -13.164 3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.958 -14.857 3.694 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.925 -13.529 3.154 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.514 -15.181 1.719 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.418 -15.201 0.264 1.00 0.00 C ATOM 1234 C LEU A 83 -11.348 -16.633 -0.258 1.00 0.00 C ATOM 1235 O LEU A 83 -11.552 -17.588 0.491 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.187 -14.418 -0.197 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.862 -13.151 0.595 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.489 -12.620 0.214 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.930 -12.090 0.363 1.00 0.00 C ATOM 0 H LEU A 83 -10.651 -15.429 2.202 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.314 -14.729 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.323 -15.081 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.327 -14.143 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.850 -13.401 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.276 -11.718 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.734 -13.375 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.472 -12.385 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.684 -11.195 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.973 -11.843 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.898 -12.472 0.687 1.00 0.00 H new ATOM 1251 N VAL A 84 -11.057 -16.774 -1.547 1.00 0.00 N ATOM 1252 CA VAL A 84 -10.957 -18.090 -2.169 1.00 0.00 C ATOM 1253 C VAL A 84 -9.541 -18.356 -2.667 1.00 0.00 C ATOM 1254 O VAL A 84 -8.917 -17.517 -3.318 1.00 0.00 O ATOM 1255 CB VAL A 84 -11.940 -18.230 -3.347 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.685 -17.149 -4.385 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -11.831 -19.615 -3.968 1.00 0.00 C ATOM 0 H VAL A 84 -10.886 -15.994 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.213 -18.823 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.955 -18.105 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.388 -17.263 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.817 -16.168 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.666 -17.240 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.532 -19.697 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.816 -19.771 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.067 -20.370 -3.218 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.019 -19.552 -2.356 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.671 -19.957 -2.763 1.00 0.00 C ATOM 1269 C PRO A 85 -7.566 -20.192 -4.266 1.00 0.00 C ATOM 1270 O PRO A 85 -8.571 -20.420 -4.939 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.448 -21.265 -2.000 1.00 0.00 C ATOM 1272 CG PRO A 85 -8.816 -21.800 -1.757 1.00 0.00 C ATOM 1273 CD PRO A 85 -9.706 -20.600 -1.582 1.00 0.00 C ATOM 0 HA PRO A 85 -6.930 -19.188 -2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.847 -21.965 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.919 -21.091 -1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.149 -22.414 -2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.835 -22.433 -0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.711 -20.786 -1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.807 -20.324 -0.532 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.344 -20.137 -4.786 1.00 0.00 N ATOM 1282 CA GLN A 86 -6.108 -20.345 -6.209 1.00 0.00 C ATOM 1283 C GLN A 86 -6.975 -19.410 -7.046 1.00 0.00 C ATOM 1284 O GLN A 86 -7.688 -19.848 -7.950 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.394 -21.799 -6.589 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.769 -22.809 -5.640 1.00 0.00 C ATOM 1287 CD GLN A 86 -5.697 -24.201 -6.234 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -6.641 -24.985 -6.128 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -4.572 -24.518 -6.865 1.00 0.00 N ATOM 0 H GLN A 86 -5.502 -19.950 -4.242 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.061 -20.123 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.473 -21.954 -6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.023 -21.982 -7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.765 -22.479 -5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.348 -22.841 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.814 -23.838 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.466 -25.441 -7.285 1.00 0.00 H new ATOM 1298 N LYS A 87 -6.911 -18.119 -6.739 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.689 -17.119 -7.463 1.00 0.00 C ATOM 1300 C LYS A 87 -7.000 -15.759 -7.421 1.00 0.00 C ATOM 1301 O LYS A 87 -6.688 -15.241 -6.349 1.00 0.00 O ATOM 1302 CB LYS A 87 -9.094 -17.010 -6.869 1.00 0.00 C ATOM 1303 CG LYS A 87 -9.978 -18.207 -7.174 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.179 -18.385 -8.669 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.656 -18.411 -9.034 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.885 -17.995 -10.446 1.00 0.00 N ATOM 0 H LYS A 87 -6.328 -17.740 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.764 -17.436 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.014 -16.894 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.572 -16.109 -7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.529 -19.108 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.946 -18.079 -6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.686 -17.573 -9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.707 -19.312 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.050 -19.416 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.207 -17.749 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.903 -18.026 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.532 -17.027 -10.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.380 -18.642 -11.085 1.00 0.00 H new ATOM 1320 N THR A 88 -6.765 -15.183 -8.597 1.00 0.00 N ATOM 1321 CA THR A 88 -6.115 -13.883 -8.694 1.00 0.00 C ATOM 1322 C THR A 88 -6.970 -12.791 -8.062 1.00 0.00 C ATOM 1323 O THR A 88 -8.173 -12.709 -8.312 1.00 0.00 O ATOM 1324 CB THR A 88 -5.825 -13.509 -10.160 1.00 0.00 C ATOM 1325 OG1 THR A 88 -4.968 -14.489 -10.756 1.00 0.00 O ATOM 1326 CG2 THR A 88 -5.174 -12.137 -10.250 1.00 0.00 C ATOM 0 H THR A 88 -7.016 -15.597 -9.495 1.00 0.00 H new ATOM 0 HA THR A 88 -5.172 -13.960 -8.152 1.00 0.00 H new ATOM 0 HB THR A 88 -6.772 -13.480 -10.698 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.790 -14.244 -11.688 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.979 -11.895 -11.295 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.842 -11.389 -9.823 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.235 -12.143 -9.697 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.342 -11.954 -7.244 1.00 0.00 N ATOM 1335 CA TYR A 89 -7.047 -10.867 -6.574 1.00 0.00 C ATOM 1336 C TYR A 89 -6.298 -9.548 -6.741 1.00 0.00 C ATOM 1337 O TYR A 89 -5.085 -9.482 -6.546 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.221 -11.184 -5.088 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.554 -11.813 -4.755 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.674 -11.028 -4.510 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.696 -13.194 -4.686 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.895 -11.598 -4.205 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -9.913 -13.773 -4.382 1.00 0.00 C ATOM 1344 CZ TYR A 89 -11.009 -12.971 -4.143 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.223 -13.544 -3.840 1.00 0.00 O ATOM 0 H TYR A 89 -5.346 -12.007 -7.029 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.030 -10.766 -7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.423 -11.856 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.109 -10.264 -4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.588 -9.953 -4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.840 -13.825 -4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.755 -10.972 -4.016 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.005 -14.848 -4.332 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.733 -12.942 -3.258 1.00 0.00 H new ATOM 1355 N SER A 90 -7.031 -8.500 -7.102 1.00 0.00 N ATOM 1356 CA SER A 90 -6.439 -7.183 -7.298 1.00 0.00 C ATOM 1357 C SER A 90 -6.399 -6.404 -5.986 1.00 0.00 C ATOM 1358 O SER A 90 -7.231 -6.611 -5.104 1.00 0.00 O ATOM 1359 CB SER A 90 -7.226 -6.397 -8.348 1.00 0.00 C ATOM 1360 OG SER A 90 -7.386 -7.152 -9.537 1.00 0.00 O ATOM 0 H SER A 90 -8.037 -8.538 -7.265 1.00 0.00 H new ATOM 0 HA SER A 90 -5.416 -7.321 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.204 -6.130 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.708 -5.465 -8.573 1.00 0.00 H new ATOM 0 HG SER A 90 -6.644 -7.786 -9.625 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.425 -5.507 -5.867 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.277 -4.696 -4.665 1.00 0.00 C ATOM 1368 C VAL A 91 -4.757 -3.302 -5.004 1.00 0.00 C ATOM 1369 O VAL A 91 -3.795 -3.152 -5.756 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.320 -5.358 -3.657 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -4.295 -4.576 -2.351 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.719 -6.805 -3.413 1.00 0.00 C ATOM 0 H VAL A 91 -4.727 -5.324 -6.588 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.266 -4.612 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.315 -5.349 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.613 -5.059 -1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.957 -3.558 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.297 -4.551 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.031 -7.256 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.733 -6.841 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.680 -7.357 -4.352 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.402 -2.284 -4.443 1.00 0.00 N ATOM 1383 CA LYS A 92 -5.005 -0.902 -4.682 1.00 0.00 C ATOM 1384 C LYS A 92 -5.023 -0.098 -3.386 1.00 0.00 C ATOM 1385 O LYS A 92 -5.736 -0.440 -2.442 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.937 -0.253 -5.709 1.00 0.00 C ATOM 1387 CG LYS A 92 -6.124 -1.081 -6.970 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.792 -0.277 -8.071 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.829 0.721 -8.697 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.157 0.988 -10.125 1.00 0.00 N ATOM 0 H LYS A 92 -6.202 -2.391 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.987 -0.905 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.910 -0.084 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.539 0.724 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.155 -1.440 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.727 -1.960 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.167 -0.953 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.653 0.253 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.859 1.655 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.811 0.338 -8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.478 1.673 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.103 0.101 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.119 1.377 -10.193 1.00 0.00 H new ATOM 1404 N VAL A 93 -4.235 0.971 -3.347 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.162 1.824 -2.168 1.00 0.00 C ATOM 1406 C VAL A 93 -3.922 3.280 -2.556 1.00 0.00 C ATOM 1407 O VAL A 93 -3.249 3.566 -3.547 1.00 0.00 O ATOM 1408 CB VAL A 93 -3.043 1.369 -1.213 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.047 2.207 0.056 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.192 -0.110 -0.885 1.00 0.00 C ATOM 0 H VAL A 93 -3.638 1.267 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.122 1.740 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.084 1.514 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.249 1.870 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.888 3.255 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.007 2.098 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.393 -0.415 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.157 -0.281 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.133 -0.694 -1.803 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.477 4.195 -1.769 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.324 5.622 -2.030 1.00 0.00 C ATOM 1422 C LEU A 94 -4.364 6.420 -0.730 1.00 0.00 C ATOM 1423 O LEU A 94 -4.716 5.891 0.324 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.424 6.109 -2.974 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.774 6.419 -2.329 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.842 7.878 -1.907 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.912 6.085 -3.284 1.00 0.00 C ATOM 0 H LEU A 94 -5.037 3.974 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.354 5.778 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.070 7.008 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.577 5.351 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.880 5.799 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.811 8.080 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.051 8.086 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.714 8.516 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.866 6.312 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.810 6.678 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.876 5.025 -3.536 1.00 0.00 H new ATOM 1439 N ALA A 95 -4.002 7.695 -0.814 1.00 0.00 N ATOM 1440 CA ALA A 95 -4.000 8.568 0.354 1.00 0.00 C ATOM 1441 C ALA A 95 -4.965 9.734 0.169 1.00 0.00 C ATOM 1442 O ALA A 95 -5.094 10.279 -0.927 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.595 9.081 0.627 1.00 0.00 C ATOM 0 H ALA A 95 -3.706 8.147 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.335 7.986 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.609 9.731 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.929 8.238 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.238 9.642 -0.237 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.643 10.112 1.248 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.597 11.213 1.204 1.00 0.00 C ATOM 1451 C PHE A 96 -6.559 12.018 2.501 1.00 0.00 C ATOM 1452 O PHE A 96 -6.337 11.469 3.580 1.00 0.00 O ATOM 1453 CB PHE A 96 -8.011 10.682 0.962 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.606 9.995 2.158 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.307 10.717 3.112 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.466 8.627 2.331 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.855 10.089 4.213 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -9.013 7.993 3.430 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.708 8.724 4.373 1.00 0.00 C ATOM 0 H PHE A 96 -5.549 9.672 2.163 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.317 11.870 0.380 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.657 11.510 0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.990 9.984 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.426 11.784 2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.923 8.049 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.398 10.664 4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.897 6.926 3.551 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.136 8.231 5.233 1.00 0.00 H new ATOM 1469 N THR A 97 -6.779 13.324 2.387 1.00 0.00 N ATOM 1470 CA THR A 97 -6.768 14.205 3.547 1.00 0.00 C ATOM 1471 C THR A 97 -8.083 14.969 3.669 1.00 0.00 C ATOM 1472 O THR A 97 -8.989 14.797 2.854 1.00 0.00 O ATOM 1473 CB THR A 97 -5.606 15.214 3.477 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.693 15.978 2.269 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.265 14.498 3.534 1.00 0.00 C ATOM 0 H THR A 97 -6.967 13.795 1.502 1.00 0.00 H new ATOM 0 HA THR A 97 -6.635 13.571 4.424 1.00 0.00 H new ATOM 0 HB THR A 97 -5.681 15.882 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.952 16.618 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.459 15.230 3.483 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.190 13.940 4.467 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.184 13.810 2.692 1.00 0.00 H new ATOM 1483 N SER A 98 -8.178 15.814 4.691 1.00 0.00 N ATOM 1484 CA SER A 98 -9.383 16.603 4.921 1.00 0.00 C ATOM 1485 C SER A 98 -9.699 17.477 3.712 1.00 0.00 C ATOM 1486 O SER A 98 -10.852 17.837 3.477 1.00 0.00 O ATOM 1487 CB SER A 98 -9.216 17.476 6.166 1.00 0.00 C ATOM 1488 OG SER A 98 -10.462 17.999 6.593 1.00 0.00 O ATOM 0 H SER A 98 -7.435 15.970 5.373 1.00 0.00 H new ATOM 0 HA SER A 98 -10.214 15.915 5.077 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.770 16.889 6.969 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.529 18.294 5.951 1.00 0.00 H new ATOM 0 HG SER A 98 -10.328 18.552 7.391 1.00 0.00 H new ATOM 1494 N ILE A 99 -8.665 17.814 2.947 1.00 0.00 N ATOM 1495 CA ILE A 99 -8.833 18.645 1.761 1.00 0.00 C ATOM 1496 C ILE A 99 -9.523 17.873 0.642 1.00 0.00 C ATOM 1497 O ILE A 99 -10.577 18.277 0.152 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.479 19.172 1.247 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -6.776 19.981 2.338 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -7.680 20.016 -0.002 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.531 21.225 2.749 1.00 0.00 C ATOM 0 H ILE A 99 -7.704 17.525 3.127 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.456 19.490 2.053 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.848 18.322 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.632 19.347 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.785 20.267 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.715 20.381 -0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.144 19.410 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.325 20.863 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.974 21.749 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.652 21.879 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.512 20.945 3.132 1.00 0.00 H new ATOM 1513 N GLY A 100 -8.921 16.756 0.241 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.494 15.944 -0.816 1.00 0.00 C ATOM 1515 C GLY A 100 -8.883 14.558 -0.878 1.00 0.00 C ATOM 1516 O GLY A 100 -8.382 14.049 0.125 1.00 0.00 O ATOM 0 H GLY A 100 -8.048 16.400 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.569 15.857 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.350 16.445 -1.773 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.924 13.948 -2.057 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.371 12.612 -2.246 1.00 0.00 C ATOM 1522 C ASP A 101 -7.075 12.669 -3.049 1.00 0.00 C ATOM 1523 O ASP A 101 -6.767 13.679 -3.679 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.385 11.711 -2.952 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.150 12.443 -4.037 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.515 13.182 -4.818 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.386 12.275 -4.106 1.00 0.00 O ATOM 0 H ASP A 101 -9.334 14.357 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.150 12.195 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.867 10.858 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.088 11.315 -2.219 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.317 11.577 -3.020 1.00 0.00 N ATOM 1533 CA GLY A 102 -5.064 11.524 -3.749 1.00 0.00 C ATOM 1534 C GLY A 102 -5.056 10.444 -4.812 1.00 0.00 C ATOM 1535 O GLY A 102 -5.957 9.607 -4.885 1.00 0.00 O ATOM 0 H GLY A 102 -6.549 10.728 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.878 12.491 -4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.247 11.346 -3.049 1.00 0.00 H new ATOM 1539 N PRO A 103 -4.019 10.454 -5.664 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.875 9.475 -6.745 1.00 0.00 C ATOM 1541 C PRO A 103 -3.559 8.077 -6.224 1.00 0.00 C ATOM 1542 O PRO A 103 -2.815 7.918 -5.255 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.699 10.020 -7.561 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.910 10.833 -6.593 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.910 11.421 -5.636 1.00 0.00 C ATOM 0 HA PRO A 103 -4.795 9.363 -7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.100 9.212 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.045 10.627 -8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.182 10.216 -6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.352 11.617 -7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.494 11.526 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.234 12.413 -5.952 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.127 7.067 -6.872 1.00 0.00 N ATOM 1554 CA LEU A 104 -3.906 5.681 -6.474 1.00 0.00 C ATOM 1555 C LEU A 104 -2.471 5.254 -6.767 1.00 0.00 C ATOM 1556 O LEU A 104 -1.674 6.033 -7.288 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.884 4.758 -7.202 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.365 4.964 -6.883 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.179 5.056 -8.163 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.882 3.837 -6.000 1.00 0.00 C ATOM 0 H LEU A 104 -4.744 7.181 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.077 5.605 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.743 4.886 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.622 3.726 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.473 5.903 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.230 5.203 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.826 5.897 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.065 4.134 -8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.938 4.000 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.760 2.885 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.319 3.818 -5.067 1.00 0.00 H new ATOM 1572 N SER A 105 -2.150 4.008 -6.429 1.00 0.00 N ATOM 1573 CA SER A 105 -0.810 3.477 -6.655 1.00 0.00 C ATOM 1574 C SER A 105 -0.812 2.468 -7.798 1.00 0.00 C ATOM 1575 O SER A 105 -1.850 2.201 -8.404 1.00 0.00 O ATOM 1576 CB SER A 105 -0.279 2.819 -5.380 1.00 0.00 C ATOM 1577 OG SER A 105 -0.336 1.406 -5.472 1.00 0.00 O ATOM 0 H SER A 105 -2.798 3.349 -5.999 1.00 0.00 H new ATOM 0 HA SER A 105 -0.157 4.307 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.750 3.134 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.864 3.154 -4.524 1.00 0.00 H new ATOM 0 HG SER A 105 0.010 1.010 -4.645 1.00 0.00 H new ATOM 1583 N SER A 106 0.358 1.909 -8.089 1.00 0.00 N ATOM 1584 CA SER A 106 0.495 0.932 -9.162 1.00 0.00 C ATOM 1585 C SER A 106 -0.324 -0.320 -8.864 1.00 0.00 C ATOM 1586 O SER A 106 -0.026 -1.062 -7.927 1.00 0.00 O ATOM 1587 CB SER A 106 1.965 0.559 -9.357 1.00 0.00 C ATOM 1588 OG SER A 106 2.818 1.494 -8.719 1.00 0.00 O ATOM 0 H SER A 106 1.226 2.117 -7.596 1.00 0.00 H new ATOM 0 HA SER A 106 0.118 1.382 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.147 -0.437 -8.954 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.195 0.520 -10.422 1.00 0.00 H new ATOM 0 HG SER A 106 3.752 1.232 -8.857 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.357 -0.550 -9.666 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.220 -1.711 -9.490 1.00 0.00 C ATOM 1596 C ASP A 107 -1.396 -2.994 -9.423 1.00 0.00 C ATOM 1597 O ASP A 107 -0.624 -3.295 -10.333 1.00 0.00 O ATOM 1598 CB ASP A 107 -3.233 -1.800 -10.632 1.00 0.00 C ATOM 1599 CG ASP A 107 -2.585 -1.637 -11.993 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -2.412 -0.480 -12.432 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -2.254 -2.665 -12.621 1.00 0.00 O ATOM 0 H ASP A 107 -1.617 0.054 -10.446 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.757 -1.594 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.742 -2.763 -10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.994 -1.031 -10.500 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.566 -3.744 -8.339 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.838 -4.994 -8.154 1.00 0.00 C ATOM 1608 C ILE A 108 -1.785 -6.189 -8.170 1.00 0.00 C ATOM 1609 O ILE A 108 -2.996 -6.034 -8.022 1.00 0.00 O ATOM 1610 CB ILE A 108 -0.048 -4.995 -6.833 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.946 -4.549 -5.676 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.171 -4.092 -6.943 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.245 -4.538 -4.336 1.00 0.00 C ATOM 0 H ILE A 108 -2.201 -3.508 -7.576 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.138 -5.078 -8.985 1.00 0.00 H new ATOM 0 HB ILE A 108 0.294 -6.010 -6.633 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.326 -3.549 -5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.809 -5.213 -5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.719 -4.104 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.818 -4.450 -7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.851 -3.074 -7.164 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.942 -4.212 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.111 -5.542 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.602 -3.852 -4.374 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.222 -7.380 -8.347 1.00 0.00 N ATOM 1626 CA GLN A 109 -2.017 -8.602 -8.380 1.00 0.00 C ATOM 1627 C GLN A 109 -1.338 -9.715 -7.589 1.00 0.00 C ATOM 1628 O GLN A 109 -0.195 -10.079 -7.866 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.242 -9.051 -9.825 1.00 0.00 C ATOM 1630 CG GLN A 109 -2.873 -7.982 -10.703 1.00 0.00 C ATOM 1631 CD GLN A 109 -4.265 -7.598 -10.245 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -4.973 -8.398 -9.632 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -4.666 -6.367 -10.540 1.00 0.00 N ATOM 0 H GLN A 109 -0.220 -7.525 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.982 -8.390 -7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.286 -9.347 -10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.880 -9.934 -9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.238 -7.096 -10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.919 -8.342 -11.731 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.046 -5.737 -11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.594 -6.051 -10.257 1.00 0.00 H new ATOM 1642 N VAL A 110 -2.049 -10.252 -6.602 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.514 -11.325 -5.771 1.00 0.00 C ATOM 1644 C VAL A 110 -2.438 -12.538 -5.780 1.00 0.00 C ATOM 1645 O VAL A 110 -3.649 -12.410 -5.596 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.310 -10.859 -4.318 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.611 -10.322 -3.741 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.768 -11.996 -3.465 1.00 0.00 C ATOM 0 H VAL A 110 -2.996 -9.962 -6.358 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.549 -11.604 -6.194 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.578 -10.051 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.447 -9.998 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.952 -9.477 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.367 -11.107 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.630 -11.649 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.474 -12.826 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.189 -12.329 -3.867 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.858 -13.714 -5.992 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.629 -14.951 -6.022 1.00 0.00 C ATOM 1660 C ILE A 111 -2.776 -15.540 -4.623 1.00 0.00 C ATOM 1661 O ILE A 111 -1.840 -15.514 -3.823 1.00 0.00 O ATOM 1662 CB ILE A 111 -1.976 -15.999 -6.942 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.855 -15.454 -8.367 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.782 -17.289 -6.929 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.451 -15.524 -8.923 1.00 0.00 C ATOM 0 H ILE A 111 -0.857 -13.837 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.615 -14.700 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.975 -16.215 -6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.524 -16.015 -9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.191 -14.417 -8.381 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.308 -18.021 -7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.822 -17.683 -5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.794 -17.089 -7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.440 -15.121 -9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.219 -14.940 -8.293 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.118 -16.562 -8.942 1.00 0.00 H new ATOM 1677 N THR A 112 -3.959 -16.074 -4.333 1.00 0.00 N ATOM 1678 CA THR A 112 -4.230 -16.672 -3.032 1.00 0.00 C ATOM 1679 C THR A 112 -3.634 -18.071 -2.935 1.00 0.00 C ATOM 1680 O THR A 112 -4.269 -19.054 -3.316 1.00 0.00 O ATOM 1681 CB THR A 112 -5.743 -16.749 -2.753 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.451 -17.022 -3.968 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.249 -15.451 -2.146 1.00 0.00 C ATOM 0 H THR A 112 -4.745 -16.104 -4.983 1.00 0.00 H new ATOM 0 HA THR A 112 -3.763 -16.029 -2.285 1.00 0.00 H new ATOM 0 HB THR A 112 -5.918 -17.556 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.411 -16.886 -3.825 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.320 -15.530 -1.958 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.729 -15.261 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.062 -14.629 -2.837 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.410 -18.154 -2.421 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.730 -19.435 -2.274 1.00 0.00 C ATOM 1693 C GLN A 113 -0.829 -19.434 -1.043 1.00 0.00 C ATOM 1694 O GLN A 113 -0.155 -18.445 -0.753 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.904 -19.743 -3.524 1.00 0.00 C ATOM 1696 CG GLN A 113 0.367 -18.917 -3.634 1.00 0.00 C ATOM 1697 CD GLN A 113 0.924 -18.887 -5.044 1.00 0.00 C ATOM 1698 OE1 GLN A 113 0.300 -19.387 -5.980 1.00 0.00 O ATOM 1699 NE2 GLN A 113 2.103 -18.299 -5.202 1.00 0.00 N ATOM 0 H GLN A 113 -1.870 -17.350 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.488 -20.208 -2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.641 -20.801 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.518 -19.568 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.163 -17.898 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.120 -19.324 -2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.585 -17.898 -4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.528 -18.248 -6.128 1.00 0.00 H new