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 50 GLN :FLIP amide:sc= -0.827 F(o=-0.79,f=-0.19) USER MOD Set 1.2: A 98 SER OG : rot 91:sc= 0.634 USER MOD Set 2.1: A 58 MET CE :methyl 172:sc= -0.157 (180deg=-0.492) USER MOD Set 2.2: A 89 TYR OH : rot 15:sc= -0.0592 USER MOD Set 3.1: A 56 TYR OH : rot 19:sc= 0.445 USER MOD Set 3.2: A 70 HIS : no HD1:sc= 0.208 K(o=0.65,f=-1.7) USER MOD Set 3.3: A 78 THR OG1 : rot -130:sc= 0 USER MOD Set 4.1: A 52 TYR OH : rot 0:sc= -0.135 USER MOD Set 4.2: A 76 GLN :FLIP amide:sc= -0.237 F(o=-1.1,f=-0.37) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -53:sc= 0.358 USER MOD Single : A 20 SER OG : rot 130:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 160:sc= -5.77! (180deg=-6.1!) 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= -0.99 USER MOD Single : A 38 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.065) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.496 K(o=-0.5,f=-1.8!) USER MOD Single : A 66 ASN : amide:sc= -0.0893 K(o=-0.089,f=-1.3!) USER MOD Single : A 68 MET CE :methyl -124:sc= -0.0389 (180deg=-1.59) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 40:sc= 0.148 USER MOD Single : A 82 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.8) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.049) 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 170:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.411) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot 171:sc= 1.19 USER MOD Single : A 113 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.161 21.017 1.005 1.00 0.00 N ATOM 187 CA GLN A 16 -4.055 20.506 -0.027 1.00 0.00 C ATOM 188 C GLN A 16 -4.097 18.981 -0.002 1.00 0.00 C ATOM 189 O GLN A 16 -3.464 18.346 0.842 1.00 0.00 O ATOM 190 CB GLN A 16 -3.607 20.993 -1.407 1.00 0.00 C ATOM 191 CG GLN A 16 -4.477 22.104 -1.970 1.00 0.00 C ATOM 192 CD GLN A 16 -3.982 22.610 -3.310 1.00 0.00 C ATOM 193 OE1 GLN A 16 -4.479 22.207 -4.362 1.00 0.00 O ATOM 194 NE2 GLN A 16 -2.995 23.498 -3.281 1.00 0.00 N ATOM 0 HA GLN A 16 -5.057 20.883 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.578 21.346 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.613 20.152 -2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.499 21.741 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.506 22.932 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.612 23.805 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.620 23.873 -4.153 1.00 0.00 H new ATOM 203 N ALA A 17 -4.849 18.400 -0.931 1.00 0.00 N ATOM 204 CA ALA A 17 -4.972 16.950 -1.017 1.00 0.00 C ATOM 205 C ALA A 17 -3.644 16.307 -1.401 1.00 0.00 C ATOM 206 O ALA A 17 -2.751 16.951 -1.952 1.00 0.00 O ATOM 207 CB ALA A 17 -6.053 16.571 -2.018 1.00 0.00 C ATOM 0 H ALA A 17 -5.382 18.911 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.255 16.576 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.134 15.485 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.007 16.991 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.793 16.965 -3.001 1.00 0.00 H new ATOM 213 N PRO A 18 -3.507 15.005 -1.102 1.00 0.00 N ATOM 214 CA PRO A 18 -2.290 14.247 -1.408 1.00 0.00 C ATOM 215 C PRO A 18 -2.105 14.025 -2.904 1.00 0.00 C ATOM 216 O PRO A 18 -2.962 13.436 -3.564 1.00 0.00 O ATOM 217 CB PRO A 18 -2.515 12.914 -0.692 1.00 0.00 C ATOM 218 CG PRO A 18 -3.996 12.779 -0.600 1.00 0.00 C ATOM 219 CD PRO A 18 -4.531 14.176 -0.446 1.00 0.00 C ATOM 0 HA PRO A 18 -1.391 14.773 -1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.076 12.086 -1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.055 12.913 0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.401 12.303 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.279 12.157 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.505 14.288 -0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.656 14.446 0.603 1.00 0.00 H new ATOM 227 N SER A 19 -0.983 14.499 -3.436 1.00 0.00 N ATOM 228 CA SER A 19 -0.688 14.355 -4.856 1.00 0.00 C ATOM 229 C SER A 19 0.448 13.360 -5.076 1.00 0.00 C ATOM 230 O SER A 19 1.232 13.495 -6.015 1.00 0.00 O ATOM 231 CB SER A 19 -0.318 15.711 -5.462 1.00 0.00 C ATOM 232 OG SER A 19 -0.307 15.650 -6.877 1.00 0.00 O ATOM 0 H SER A 19 -0.263 14.987 -2.904 1.00 0.00 H new ATOM 0 HA SER A 19 -1.582 13.976 -5.351 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.031 16.467 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.663 16.019 -5.100 1.00 0.00 H new ATOM 0 HG SER A 19 0.268 14.912 -7.168 1.00 0.00 H new ATOM 238 N SER A 20 0.529 12.361 -4.203 1.00 0.00 N ATOM 239 CA SER A 20 1.571 11.345 -4.298 1.00 0.00 C ATOM 240 C SER A 20 1.035 9.979 -3.880 1.00 0.00 C ATOM 241 O SER A 20 0.394 9.843 -2.839 1.00 0.00 O ATOM 242 CB SER A 20 2.767 11.727 -3.426 1.00 0.00 C ATOM 243 OG SER A 20 3.923 10.996 -3.797 1.00 0.00 O ATOM 0 H SER A 20 -0.114 12.233 -3.422 1.00 0.00 H new ATOM 0 HA SER A 20 1.895 11.286 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.963 12.795 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.533 11.536 -2.379 1.00 0.00 H new ATOM 0 HG SER A 20 4.674 11.613 -3.922 1.00 0.00 H new ATOM 249 N ALA A 21 1.306 8.968 -4.699 1.00 0.00 N ATOM 250 CA ALA A 21 0.855 7.611 -4.413 1.00 0.00 C ATOM 251 C ALA A 21 1.605 7.024 -3.222 1.00 0.00 C ATOM 252 O ALA A 21 2.722 7.426 -2.900 1.00 0.00 O ATOM 253 CB ALA A 21 1.032 6.729 -5.639 1.00 0.00 C ATOM 0 H ALA A 21 1.835 9.063 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.204 7.651 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.692 5.719 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.446 7.132 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.085 6.703 -5.919 1.00 0.00 H new ATOM 259 N PRO A 22 0.976 6.046 -2.551 1.00 0.00 N ATOM 260 CA PRO A 22 1.565 5.382 -1.385 1.00 0.00 C ATOM 261 C PRO A 22 2.749 4.496 -1.759 1.00 0.00 C ATOM 262 O PRO A 22 2.855 4.033 -2.895 1.00 0.00 O ATOM 263 CB PRO A 22 0.413 4.533 -0.841 1.00 0.00 C ATOM 264 CG PRO A 22 -0.465 4.288 -2.018 1.00 0.00 C ATOM 265 CD PRO A 22 -0.357 5.517 -2.878 1.00 0.00 C ATOM 0 HA PRO A 22 1.962 6.098 -0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.777 3.597 -0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.124 5.055 -0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.147 3.400 -2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.496 4.118 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.445 5.275 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.142 6.238 -2.650 1.00 0.00 H new ATOM 273 N ARG A 23 3.637 4.267 -0.797 1.00 0.00 N ATOM 274 CA ARG A 23 4.814 3.438 -1.027 1.00 0.00 C ATOM 275 C ARG A 23 4.780 2.191 -0.147 1.00 0.00 C ATOM 276 O ARG A 23 3.868 2.013 0.660 1.00 0.00 O ATOM 277 CB ARG A 23 6.089 4.235 -0.749 1.00 0.00 C ATOM 278 CG ARG A 23 6.089 5.619 -1.378 1.00 0.00 C ATOM 279 CD ARG A 23 7.491 6.205 -1.437 1.00 0.00 C ATOM 280 NE ARG A 23 8.396 5.377 -2.229 1.00 0.00 N ATOM 281 CZ ARG A 23 8.376 5.330 -3.557 1.00 0.00 C ATOM 282 NH1 ARG A 23 7.502 6.059 -4.236 1.00 0.00 N ATOM 283 NH2 ARG A 23 9.232 4.553 -4.207 1.00 0.00 N ATOM 0 H ARG A 23 3.564 4.644 0.148 1.00 0.00 H new ATOM 0 HA ARG A 23 4.809 3.127 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.218 4.335 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.947 3.675 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.675 5.562 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.441 6.281 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.448 7.207 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.884 6.307 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 23 9.081 4.804 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.843 6.658 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.489 6.021 -5.255 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.906 3.991 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.216 4.517 -5.226 1.00 0.00 H new ATOM 297 N ASP A 24 5.779 1.331 -0.309 1.00 0.00 N ATOM 298 CA ASP A 24 5.866 0.102 0.470 1.00 0.00 C ATOM 299 C ASP A 24 4.565 -0.692 0.378 1.00 0.00 C ATOM 300 O ASP A 24 4.204 -1.418 1.304 1.00 0.00 O ATOM 301 CB ASP A 24 6.182 0.420 1.933 1.00 0.00 C ATOM 302 CG ASP A 24 7.114 -0.599 2.558 1.00 0.00 C ATOM 303 OD1 ASP A 24 8.332 -0.525 2.299 1.00 0.00 O ATOM 304 OD2 ASP A 24 6.624 -1.470 3.307 1.00 0.00 O ATOM 0 H ASP A 24 6.541 1.463 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 24 6.672 -0.505 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.635 1.410 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.253 0.456 2.503 1.00 0.00 H new ATOM 309 N VAL A 25 3.866 -0.545 -0.742 1.00 0.00 N ATOM 310 CA VAL A 25 2.606 -1.247 -0.954 1.00 0.00 C ATOM 311 C VAL A 25 2.844 -2.652 -1.496 1.00 0.00 C ATOM 312 O VAL A 25 3.117 -2.831 -2.683 1.00 0.00 O ATOM 313 CB VAL A 25 1.694 -0.480 -1.930 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.317 -1.122 -1.989 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.593 0.983 -1.525 1.00 0.00 C ATOM 0 H VAL A 25 4.151 0.054 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 25 2.114 -1.314 0.016 1.00 0.00 H new ATOM 0 HB VAL A 25 2.134 -0.528 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.314 -0.567 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.411 -2.153 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.134 -1.107 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.945 1.510 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.176 1.054 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.585 1.434 -1.539 1.00 0.00 H new ATOM 325 N GLN A 26 2.737 -3.644 -0.618 1.00 0.00 N ATOM 326 CA GLN A 26 2.941 -5.034 -1.008 1.00 0.00 C ATOM 327 C GLN A 26 2.014 -5.961 -0.229 1.00 0.00 C ATOM 328 O GLN A 26 1.722 -5.720 0.942 1.00 0.00 O ATOM 329 CB GLN A 26 4.398 -5.440 -0.782 1.00 0.00 C ATOM 330 CG GLN A 26 4.877 -5.219 0.645 1.00 0.00 C ATOM 331 CD GLN A 26 6.386 -5.294 0.772 1.00 0.00 C ATOM 332 OE1 GLN A 26 6.980 -6.362 0.626 1.00 0.00 O ATOM 333 NE2 GLN A 26 7.014 -4.157 1.045 1.00 0.00 N ATOM 0 H GLN A 26 2.510 -3.511 0.368 1.00 0.00 H new ATOM 0 HA GLN A 26 2.706 -5.126 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.517 -6.493 -1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.034 -4.873 -1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.535 -4.244 0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.424 -5.966 1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.481 -3.295 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.029 -4.146 1.142 1.00 0.00 H new ATOM 342 N ALA A 27 1.556 -7.022 -0.886 1.00 0.00 N ATOM 343 CA ALA A 27 0.664 -7.985 -0.253 1.00 0.00 C ATOM 344 C ALA A 27 1.336 -9.347 -0.114 1.00 0.00 C ATOM 345 O ALA A 27 1.802 -9.923 -1.099 1.00 0.00 O ATOM 346 CB ALA A 27 -0.627 -8.109 -1.048 1.00 0.00 C ATOM 0 H ALA A 27 1.788 -7.236 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 27 0.428 -7.622 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.284 -8.832 -0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.123 -7.139 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.400 -8.445 -2.060 1.00 0.00 H new ATOM 352 N ARG A 28 1.385 -9.856 1.112 1.00 0.00 N ATOM 353 CA ARG A 28 2.001 -11.149 1.379 1.00 0.00 C ATOM 354 C ARG A 28 0.980 -12.132 1.945 1.00 0.00 C ATOM 355 O ARG A 28 0.246 -11.810 2.878 1.00 0.00 O ATOM 356 CB ARG A 28 3.168 -10.990 2.356 1.00 0.00 C ATOM 357 CG ARG A 28 2.838 -10.130 3.564 1.00 0.00 C ATOM 358 CD ARG A 28 3.953 -10.169 4.597 1.00 0.00 C ATOM 359 NE ARG A 28 5.185 -9.562 4.097 1.00 0.00 N ATOM 360 CZ ARG A 28 6.377 -9.763 4.644 1.00 0.00 C ATOM 361 NH1 ARG A 28 6.501 -10.551 5.703 1.00 0.00 N ATOM 362 NH2 ARG A 28 7.451 -9.177 4.130 1.00 0.00 N ATOM 0 H ARG A 28 1.005 -9.392 1.937 1.00 0.00 H new ATOM 0 HA ARG A 28 2.377 -11.546 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.482 -11.976 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.015 -10.551 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.672 -9.101 3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.909 -10.477 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.631 -9.646 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.148 -11.203 4.881 1.00 0.00 H new ATOM 0 HE ARG A 28 5.125 -8.950 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.678 -11.005 6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.419 -10.703 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.360 -8.572 3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.367 -9.332 4.551 1.00 0.00 H new ATOM 376 N MET A 29 0.943 -13.331 1.375 1.00 0.00 N ATOM 377 CA MET A 29 0.013 -14.362 1.823 1.00 0.00 C ATOM 378 C MET A 29 0.533 -15.054 3.078 1.00 0.00 C ATOM 379 O MET A 29 1.710 -15.409 3.161 1.00 0.00 O ATOM 380 CB MET A 29 -0.214 -15.392 0.715 1.00 0.00 C ATOM 381 CG MET A 29 -1.553 -15.243 0.012 1.00 0.00 C ATOM 382 SD MET A 29 -2.953 -15.556 1.105 1.00 0.00 S ATOM 383 CE MET A 29 -3.793 -16.862 0.214 1.00 0.00 C ATOM 0 H MET A 29 1.546 -13.613 0.602 1.00 0.00 H new ATOM 0 HA MET A 29 -0.936 -13.881 2.061 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.585 -15.304 -0.021 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.146 -16.393 1.141 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.634 -14.235 -0.396 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.595 -15.933 -0.831 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.451 -17.402 0.895 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.383 -16.430 -0.594 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.057 -17.550 -0.202 1.00 0.00 H new ATOM 393 N LEU A 30 -0.349 -15.245 4.053 1.00 0.00 N ATOM 394 CA LEU A 30 0.022 -15.896 5.305 1.00 0.00 C ATOM 395 C LEU A 30 -0.760 -17.191 5.498 1.00 0.00 C ATOM 396 O LEU A 30 -0.293 -18.117 6.160 1.00 0.00 O ATOM 397 CB LEU A 30 -0.229 -14.955 6.485 1.00 0.00 C ATOM 398 CG LEU A 30 0.178 -13.496 6.278 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.399 -12.619 7.378 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.694 -13.366 6.232 1.00 0.00 C ATOM 0 H LEU A 30 -1.326 -14.958 4.001 1.00 0.00 H new ATOM 0 HA LEU A 30 1.084 -16.138 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.291 -14.984 6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.307 -15.341 7.352 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.226 -13.159 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.098 -11.584 7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.487 -12.687 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.026 -12.956 8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.965 -12.321 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.118 -13.722 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.085 -13.963 5.408 1.00 0.00 H new ATOM 412 N SER A 31 -1.952 -17.248 4.914 1.00 0.00 N ATOM 413 CA SER A 31 -2.800 -18.431 5.022 1.00 0.00 C ATOM 414 C SER A 31 -3.409 -18.789 3.670 1.00 0.00 C ATOM 415 O SER A 31 -3.018 -18.245 2.636 1.00 0.00 O ATOM 416 CB SER A 31 -3.913 -18.194 6.046 1.00 0.00 C ATOM 417 OG SER A 31 -4.039 -19.299 6.926 1.00 0.00 O ATOM 0 H SER A 31 -2.353 -16.490 4.361 1.00 0.00 H new ATOM 0 HA SER A 31 -2.179 -19.263 5.354 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.699 -17.291 6.618 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.858 -18.027 5.529 1.00 0.00 H new ATOM 0 HG SER A 31 -4.755 -19.123 7.572 1.00 0.00 H new ATOM 423 N SER A 32 -4.368 -19.710 3.683 1.00 0.00 N ATOM 424 CA SER A 32 -5.029 -20.145 2.458 1.00 0.00 C ATOM 425 C SER A 32 -6.111 -19.154 2.044 1.00 0.00 C ATOM 426 O SER A 32 -6.507 -19.097 0.879 1.00 0.00 O ATOM 427 CB SER A 32 -5.638 -21.535 2.649 1.00 0.00 C ATOM 428 OG SER A 32 -4.668 -22.457 3.117 1.00 0.00 O ATOM 0 H SER A 32 -4.705 -20.169 4.529 1.00 0.00 H new ATOM 0 HA SER A 32 -4.281 -20.190 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.464 -21.479 3.359 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.053 -21.887 1.704 1.00 0.00 H new ATOM 0 HG SER A 32 -5.083 -23.337 3.233 1.00 0.00 H new ATOM 434 N THR A 33 -6.591 -18.374 3.008 1.00 0.00 N ATOM 435 CA THR A 33 -7.630 -17.386 2.745 1.00 0.00 C ATOM 436 C THR A 33 -7.427 -16.136 3.594 1.00 0.00 C ATOM 437 O THR A 33 -8.391 -15.514 4.043 1.00 0.00 O ATOM 438 CB THR A 33 -9.032 -17.959 3.022 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.039 -18.658 4.271 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.464 -18.900 1.907 1.00 0.00 C ATOM 0 H THR A 33 -6.277 -18.408 3.978 1.00 0.00 H new ATOM 0 HA THR A 33 -7.556 -17.121 1.690 1.00 0.00 H new ATOM 0 HB THR A 33 -9.736 -17.128 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.935 -19.017 4.440 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.457 -19.292 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.488 -18.357 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.757 -19.726 1.833 1.00 0.00 H new ATOM 448 N THR A 34 -6.168 -15.770 3.809 1.00 0.00 N ATOM 449 CA THR A 34 -5.838 -14.593 4.605 1.00 0.00 C ATOM 450 C THR A 34 -4.638 -13.855 4.022 1.00 0.00 C ATOM 451 O THR A 34 -3.544 -14.411 3.924 1.00 0.00 O ATOM 452 CB THR A 34 -5.534 -14.971 6.066 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.061 -16.272 6.356 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.133 -13.952 7.024 1.00 0.00 C ATOM 0 H THR A 34 -5.359 -16.272 3.443 1.00 0.00 H new ATOM 0 HA THR A 34 -6.710 -13.939 4.581 1.00 0.00 H new ATOM 0 HB THR A 34 -4.452 -14.980 6.198 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.862 -16.506 7.287 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.905 -14.240 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.709 -12.968 6.821 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.214 -13.917 6.888 1.00 0.00 H new ATOM 462 N ILE A 35 -4.852 -12.601 3.639 1.00 0.00 N ATOM 463 CA ILE A 35 -3.785 -11.786 3.068 1.00 0.00 C ATOM 464 C ILE A 35 -3.494 -10.573 3.944 1.00 0.00 C ATOM 465 O ILE A 35 -4.345 -10.131 4.718 1.00 0.00 O ATOM 466 CB ILE A 35 -4.142 -11.307 1.649 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.380 -10.407 1.686 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.374 -12.497 0.730 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.679 -9.734 0.365 1.00 0.00 C ATOM 0 H ILE A 35 -5.752 -12.127 3.713 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.897 -12.416 3.017 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.306 -10.728 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.243 -11.002 1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.240 -9.643 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.625 -12.141 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.469 -13.102 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.194 -13.101 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.569 -9.113 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.833 -9.111 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.851 -10.492 -0.399 1.00 0.00 H new ATOM 481 N LEU A 36 -2.283 -10.036 3.818 1.00 0.00 N ATOM 482 CA LEU A 36 -1.879 -8.872 4.596 1.00 0.00 C ATOM 483 C LEU A 36 -1.392 -7.749 3.685 1.00 0.00 C ATOM 484 O LEU A 36 -0.454 -7.929 2.909 1.00 0.00 O ATOM 485 CB LEU A 36 -0.776 -9.254 5.587 1.00 0.00 C ATOM 486 CG LEU A 36 -0.531 -8.269 6.730 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.137 -9.010 7.998 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.541 -7.260 6.345 1.00 0.00 C ATOM 0 H LEU A 36 -1.566 -10.389 3.184 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.749 -8.516 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.022 -10.225 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.155 -9.377 5.034 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.458 -7.728 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.033 -8.293 8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.938 -9.692 8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.776 -9.578 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.702 -6.567 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.471 -7.784 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.219 -6.705 5.464 1.00 0.00 H new ATOM 500 N VAL A 37 -2.037 -6.590 3.785 1.00 0.00 N ATOM 501 CA VAL A 37 -1.667 -5.438 2.972 1.00 0.00 C ATOM 502 C VAL A 37 -1.052 -4.337 3.827 1.00 0.00 C ATOM 503 O VAL A 37 -1.699 -3.801 4.726 1.00 0.00 O ATOM 504 CB VAL A 37 -2.885 -4.869 2.220 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.451 -3.790 1.239 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.637 -5.982 1.504 1.00 0.00 C ATOM 0 H VAL A 37 -2.817 -6.425 4.421 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.930 -5.785 2.247 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.559 -4.415 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.325 -3.400 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.961 -2.981 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.756 -4.215 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.494 -5.562 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.974 -6.467 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.982 -6.715 2.233 1.00 0.00 H new ATOM 516 N GLN A 38 0.203 -4.004 3.541 1.00 0.00 N ATOM 517 CA GLN A 38 0.906 -2.965 4.285 1.00 0.00 C ATOM 518 C GLN A 38 1.480 -1.913 3.341 1.00 0.00 C ATOM 519 O GLN A 38 1.920 -2.230 2.236 1.00 0.00 O ATOM 520 CB GLN A 38 2.028 -3.580 5.122 1.00 0.00 C ATOM 521 CG GLN A 38 2.989 -4.438 4.317 1.00 0.00 C ATOM 522 CD GLN A 38 3.867 -5.311 5.192 1.00 0.00 C ATOM 523 OE1 GLN A 38 4.053 -6.498 4.919 1.00 0.00 O ATOM 524 NE2 GLN A 38 4.411 -4.728 6.254 1.00 0.00 N ATOM 0 H GLN A 38 0.753 -4.438 2.800 1.00 0.00 H new ATOM 0 HA GLN A 38 0.190 -2.480 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.588 -2.780 5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.588 -4.187 5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.421 -5.070 3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.620 -3.793 3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.231 -3.742 6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.009 -5.266 6.881 1.00 0.00 H new ATOM 533 N TRP A 39 1.470 -0.660 3.782 1.00 0.00 N ATOM 534 CA TRP A 39 1.988 0.438 2.977 1.00 0.00 C ATOM 535 C TRP A 39 2.523 1.558 3.863 1.00 0.00 C ATOM 536 O TRP A 39 2.410 1.502 5.088 1.00 0.00 O ATOM 537 CB TRP A 39 0.897 0.980 2.052 1.00 0.00 C ATOM 538 CG TRP A 39 -0.301 1.501 2.788 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.478 2.766 3.271 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.484 0.770 3.127 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.702 2.865 3.890 1.00 0.00 N ATOM 542 CE2 TRP A 39 -2.339 1.655 3.812 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.907 -0.545 2.913 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.588 1.265 4.288 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -3.147 -0.931 3.385 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.976 -0.028 4.066 1.00 0.00 C ATOM 0 H TRP A 39 1.108 -0.380 4.694 1.00 0.00 H new ATOM 0 HA TRP A 39 2.810 0.055 2.372 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.314 1.779 1.439 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.581 0.189 1.372 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.238 3.570 3.180 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.075 3.704 4.335 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.276 -1.247 2.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.228 1.958 4.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.483 -1.945 3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.940 -0.360 4.422 1.00 0.00 H new ATOM 557 N LYS A 40 3.104 2.576 3.238 1.00 0.00 N ATOM 558 CA LYS A 40 3.654 3.710 3.969 1.00 0.00 C ATOM 559 C LYS A 40 2.987 5.012 3.538 1.00 0.00 C ATOM 560 O LYS A 40 2.201 5.032 2.591 1.00 0.00 O ATOM 561 CB LYS A 40 5.167 3.803 3.745 1.00 0.00 C ATOM 562 CG LYS A 40 5.978 2.992 4.741 1.00 0.00 C ATOM 563 CD LYS A 40 7.228 3.739 5.179 1.00 0.00 C ATOM 564 CE LYS A 40 7.559 3.463 6.638 1.00 0.00 C ATOM 565 NZ LYS A 40 8.974 3.031 6.813 1.00 0.00 N ATOM 0 H LYS A 40 3.206 2.639 2.225 1.00 0.00 H new ATOM 0 HA LYS A 40 3.457 3.555 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.399 3.461 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.472 4.848 3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.364 2.765 5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.260 2.039 4.293 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.069 3.443 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.083 4.810 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.378 4.362 7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.893 2.690 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.160 2.853 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.141 2.159 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.610 3.779 6.470 1.00 0.00 H new ATOM 579 N GLU A 41 3.306 6.096 4.238 1.00 0.00 N ATOM 580 CA GLU A 41 2.735 7.402 3.925 1.00 0.00 C ATOM 581 C GLU A 41 3.276 7.928 2.600 1.00 0.00 C ATOM 582 O GLU A 41 4.338 7.521 2.127 1.00 0.00 O ATOM 583 CB GLU A 41 3.042 8.397 5.045 1.00 0.00 C ATOM 584 CG GLU A 41 1.831 8.755 5.891 1.00 0.00 C ATOM 585 CD GLU A 41 1.905 10.161 6.451 1.00 0.00 C ATOM 586 OE1 GLU A 41 2.979 10.788 6.343 1.00 0.00 O ATOM 587 OE2 GLU A 41 0.887 10.637 6.998 1.00 0.00 O ATOM 0 H GLU A 41 3.956 6.097 5.024 1.00 0.00 H new ATOM 0 HA GLU A 41 1.655 7.287 3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.814 7.978 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.451 9.308 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.929 8.656 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.744 8.045 6.713 1.00 0.00 H new ATOM 594 N PRO A 42 2.529 8.856 1.983 1.00 0.00 N ATOM 595 CA PRO A 42 2.913 9.458 0.702 1.00 0.00 C ATOM 596 C PRO A 42 4.122 10.379 0.834 1.00 0.00 C ATOM 597 O PRO A 42 4.580 10.660 1.940 1.00 0.00 O ATOM 598 CB PRO A 42 1.671 10.260 0.301 1.00 0.00 C ATOM 599 CG PRO A 42 0.984 10.563 1.588 1.00 0.00 C ATOM 600 CD PRO A 42 1.252 9.388 2.487 1.00 0.00 C ATOM 0 HA PRO A 42 3.207 8.706 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.943 11.174 -0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.027 9.686 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.366 11.485 2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.086 10.702 1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.327 9.690 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.456 8.646 2.426 1.00 0.00 H new ATOM 608 N GLU A 43 4.632 10.844 -0.302 1.00 0.00 N ATOM 609 CA GLU A 43 5.788 11.732 -0.311 1.00 0.00 C ATOM 610 C GLU A 43 5.351 13.194 -0.270 1.00 0.00 C ATOM 611 O GLU A 43 6.082 14.057 0.216 1.00 0.00 O ATOM 612 CB GLU A 43 6.643 11.479 -1.556 1.00 0.00 C ATOM 613 CG GLU A 43 7.896 10.666 -1.277 1.00 0.00 C ATOM 614 CD GLU A 43 7.634 9.485 -0.363 1.00 0.00 C ATOM 615 OE1 GLU A 43 6.568 8.850 -0.504 1.00 0.00 O ATOM 616 OE2 GLU A 43 8.495 9.196 0.496 1.00 0.00 O ATOM 0 H GLU A 43 4.263 10.621 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 43 6.382 11.523 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.041 10.959 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.930 12.437 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.309 10.306 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.650 11.311 -0.824 1.00 0.00 H new ATOM 623 N GLU A 44 4.155 13.463 -0.785 1.00 0.00 N ATOM 624 CA GLU A 44 3.622 14.820 -0.808 1.00 0.00 C ATOM 625 C GLU A 44 2.242 14.873 -0.160 1.00 0.00 C ATOM 626 O GLU A 44 1.218 15.009 -0.832 1.00 0.00 O ATOM 627 CB GLU A 44 3.544 15.336 -2.246 1.00 0.00 C ATOM 628 CG GLU A 44 4.806 15.083 -3.053 1.00 0.00 C ATOM 629 CD GLU A 44 5.207 16.276 -3.897 1.00 0.00 C ATOM 630 OE1 GLU A 44 4.417 16.674 -4.779 1.00 0.00 O ATOM 631 OE2 GLU A 44 6.314 16.814 -3.677 1.00 0.00 O ATOM 0 H GLU A 44 3.538 12.760 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 44 4.296 15.458 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.701 14.862 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.343 16.407 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.622 14.831 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.652 14.220 -3.701 1.00 0.00 H new ATOM 638 N PRO A 45 2.210 14.762 1.176 1.00 0.00 N ATOM 639 CA PRO A 45 0.961 14.795 1.943 1.00 0.00 C ATOM 640 C PRO A 45 0.226 16.123 1.799 1.00 0.00 C ATOM 641 O PRO A 45 -0.956 16.155 1.461 1.00 0.00 O ATOM 642 CB PRO A 45 1.427 14.596 3.387 1.00 0.00 C ATOM 643 CG PRO A 45 2.869 14.975 3.376 1.00 0.00 C ATOM 644 CD PRO A 45 3.391 14.598 2.040 1.00 0.00 C ATOM 0 HA PRO A 45 0.253 14.040 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.859 15.221 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.292 13.563 3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.991 16.044 3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.413 14.457 4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.213 15.243 1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.765 13.574 2.025 1.00 0.00 H new ATOM 652 N ASN A 46 0.935 17.218 2.057 1.00 0.00 N ATOM 653 CA ASN A 46 0.349 18.550 1.955 1.00 0.00 C ATOM 654 C ASN A 46 -0.771 18.729 2.974 1.00 0.00 C ATOM 655 O ASN A 46 -1.677 19.538 2.780 1.00 0.00 O ATOM 656 CB ASN A 46 -0.187 18.787 0.542 1.00 0.00 C ATOM 657 CG ASN A 46 0.801 18.371 -0.530 1.00 0.00 C ATOM 658 OD1 ASN A 46 1.959 18.790 -0.519 1.00 0.00 O ATOM 659 ND2 ASN A 46 0.348 17.540 -1.461 1.00 0.00 N ATOM 0 H ASN A 46 1.915 17.209 2.338 1.00 0.00 H new ATOM 0 HA ASN A 46 1.129 19.281 2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.116 18.232 0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.427 19.843 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.967 17.223 -2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.620 17.218 -1.430 1.00 0.00 H new ATOM 666 N GLY A 47 -0.702 17.968 4.063 1.00 0.00 N ATOM 667 CA GLY A 47 -1.716 18.059 5.097 1.00 0.00 C ATOM 668 C GLY A 47 -1.776 16.817 5.961 1.00 0.00 C ATOM 669 O GLY A 47 -0.935 15.926 5.837 1.00 0.00 O ATOM 0 H GLY A 47 0.038 17.291 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.512 18.926 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.689 18.223 4.634 1.00 0.00 H new ATOM 673 N GLN A 48 -2.770 16.756 6.841 1.00 0.00 N ATOM 674 CA GLN A 48 -2.933 15.612 7.731 1.00 0.00 C ATOM 675 C GLN A 48 -3.666 14.476 7.028 1.00 0.00 C ATOM 676 O GLN A 48 -4.620 14.704 6.283 1.00 0.00 O ATOM 677 CB GLN A 48 -3.697 16.025 8.990 1.00 0.00 C ATOM 678 CG GLN A 48 -5.185 16.227 8.760 1.00 0.00 C ATOM 679 CD GLN A 48 -5.728 17.448 9.479 1.00 0.00 C ATOM 680 OE1 GLN A 48 -6.030 17.397 10.672 1.00 0.00 O ATOM 681 NE2 GLN A 48 -5.854 18.554 8.755 1.00 0.00 N ATOM 0 H GLN A 48 -3.474 17.485 6.957 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.941 15.259 8.015 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.557 15.263 9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.269 16.949 9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.373 16.326 7.691 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.724 15.342 9.098 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.591 18.551 7.769 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.213 19.407 9.185 1.00 0.00 H new ATOM 690 N ILE A 49 -3.215 13.249 7.269 1.00 0.00 N ATOM 691 CA ILE A 49 -3.828 12.076 6.660 1.00 0.00 C ATOM 692 C ILE A 49 -4.919 11.497 7.555 1.00 0.00 C ATOM 693 O ILE A 49 -4.635 10.962 8.627 1.00 0.00 O ATOM 694 CB ILE A 49 -2.785 10.982 6.369 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.697 11.518 5.435 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.454 9.756 5.764 1.00 0.00 C ATOM 697 CD1 ILE A 49 -2.211 11.886 4.060 1.00 0.00 C ATOM 0 H ILE A 49 -2.427 13.042 7.882 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.270 12.405 5.719 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.318 10.689 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.239 12.396 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.914 10.766 5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.702 8.992 5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.194 9.363 6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.946 10.033 4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.387 12.258 3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.644 11.005 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.973 12.660 4.152 1.00 0.00 H new ATOM 709 N GLN A 50 -6.165 11.608 7.106 1.00 0.00 N ATOM 710 CA GLN A 50 -7.297 11.094 7.867 1.00 0.00 C ATOM 711 C GLN A 50 -7.369 9.573 7.777 1.00 0.00 C ATOM 712 O GLN A 50 -7.916 8.916 8.661 1.00 0.00 O ATOM 713 CB GLN A 50 -8.602 11.708 7.355 1.00 0.00 C ATOM 714 CG GLN A 50 -8.560 13.224 7.249 1.00 0.00 C ATOM 715 CD GLN A 50 -8.492 13.903 8.603 1.00 0.00 C ATOM 716 OE1 GLN A 50 -8.199 15.198 8.601 1.00 0.00 O flip ATOM 717 NE2 GLN A 50 -8.700 13.270 9.638 1.00 0.00 N flip ATOM 0 H GLN A 50 -6.416 12.048 6.221 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.156 11.372 8.912 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.831 11.290 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.415 11.421 8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.695 13.519 6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.445 13.572 6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.922 12.276 9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.650 13.740 10.542 1.00 0.00 H new ATOM 726 N GLY A 51 -6.811 9.021 6.705 1.00 0.00 N ATOM 727 CA GLY A 51 -6.823 7.582 6.519 1.00 0.00 C ATOM 728 C GLY A 51 -6.445 7.175 5.109 1.00 0.00 C ATOM 729 O GLY A 51 -5.937 7.987 4.336 1.00 0.00 O ATOM 0 H GLY A 51 -6.350 9.545 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.131 7.122 7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.816 7.197 6.751 1.00 0.00 H new ATOM 733 N TYR A 52 -6.690 5.914 4.772 1.00 0.00 N ATOM 734 CA TYR A 52 -6.367 5.399 3.447 1.00 0.00 C ATOM 735 C TYR A 52 -7.469 4.475 2.939 1.00 0.00 C ATOM 736 O TYR A 52 -8.277 3.966 3.717 1.00 0.00 O ATOM 737 CB TYR A 52 -5.033 4.652 3.479 1.00 0.00 C ATOM 738 CG TYR A 52 -3.944 5.389 4.223 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.788 5.239 5.595 1.00 0.00 C ATOM 740 CD2 TYR A 52 -3.069 6.238 3.554 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.795 5.910 6.280 1.00 0.00 C ATOM 742 CE2 TYR A 52 -2.073 6.912 4.230 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.938 6.746 5.592 1.00 0.00 C ATOM 744 OH TYR A 52 -0.947 7.417 6.270 1.00 0.00 O ATOM 0 H TYR A 52 -7.112 5.229 5.399 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.285 6.246 2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.183 3.677 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.703 4.470 2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.456 4.585 6.136 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.171 6.372 2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.689 5.782 7.347 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.402 7.567 3.694 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.991 7.191 7.223 1.00 0.00 H new ATOM 754 N ARG A 53 -7.496 4.263 1.627 1.00 0.00 N ATOM 755 CA ARG A 53 -8.498 3.401 1.013 1.00 0.00 C ATOM 756 C ARG A 53 -7.837 2.272 0.227 1.00 0.00 C ATOM 757 O ARG A 53 -6.914 2.504 -0.554 1.00 0.00 O ATOM 758 CB ARG A 53 -9.406 4.216 0.090 1.00 0.00 C ATOM 759 CG ARG A 53 -10.621 4.799 0.793 1.00 0.00 C ATOM 760 CD ARG A 53 -10.914 6.213 0.313 1.00 0.00 C ATOM 761 NE ARG A 53 -11.882 6.231 -0.780 1.00 0.00 N ATOM 762 CZ ARG A 53 -12.107 7.294 -1.545 1.00 0.00 C ATOM 763 NH1 ARG A 53 -11.438 8.419 -1.337 1.00 0.00 N ATOM 764 NH2 ARG A 53 -13.004 7.232 -2.521 1.00 0.00 N ATOM 0 H ARG A 53 -6.835 4.677 0.969 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.100 2.962 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.827 5.028 -0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.741 3.581 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.488 4.164 0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.452 4.806 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.295 6.806 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.987 6.683 -0.016 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.415 5.381 -0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.748 8.471 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.613 9.233 -1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.521 6.368 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.176 8.048 -3.108 1.00 0.00 H new ATOM 778 N VAL A 54 -8.316 1.051 0.438 1.00 0.00 N ATOM 779 CA VAL A 54 -7.772 -0.113 -0.250 1.00 0.00 C ATOM 780 C VAL A 54 -8.815 -0.750 -1.163 1.00 0.00 C ATOM 781 O VAL A 54 -9.893 -1.138 -0.713 1.00 0.00 O ATOM 782 CB VAL A 54 -7.266 -1.171 0.748 1.00 0.00 C ATOM 783 CG1 VAL A 54 -6.610 -2.330 0.012 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.297 -0.546 1.741 1.00 0.00 C ATOM 0 H VAL A 54 -9.080 0.842 1.080 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.933 0.239 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.121 -1.559 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.259 -3.067 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.335 -2.794 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.765 -1.960 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.949 -1.308 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.445 -0.129 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.802 0.247 2.292 1.00 0.00 H new ATOM 794 N TYR A 55 -8.487 -0.853 -2.446 1.00 0.00 N ATOM 795 CA TYR A 55 -9.395 -1.441 -3.422 1.00 0.00 C ATOM 796 C TYR A 55 -9.000 -2.880 -3.739 1.00 0.00 C ATOM 797 O TYR A 55 -7.922 -3.135 -4.276 1.00 0.00 O ATOM 798 CB TYR A 55 -9.407 -0.609 -4.705 1.00 0.00 C ATOM 799 CG TYR A 55 -10.002 0.770 -4.528 1.00 0.00 C ATOM 800 CD1 TYR A 55 -9.345 1.741 -3.783 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.220 1.103 -5.107 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.884 3.002 -3.619 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.768 2.361 -4.948 1.00 0.00 C ATOM 804 CZ TYR A 55 -11.096 3.307 -4.202 1.00 0.00 C ATOM 805 OH TYR A 55 -11.636 4.563 -4.042 1.00 0.00 O ATOM 0 H TYR A 55 -7.598 -0.537 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.396 -1.446 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.386 -0.510 -5.073 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.971 -1.143 -5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.396 1.506 -3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.748 0.365 -5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.359 3.745 -3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.716 2.602 -5.405 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.492 4.614 -4.517 1.00 0.00 H new ATOM 815 N TYR A 56 -9.880 -3.816 -3.402 1.00 0.00 N ATOM 816 CA TYR A 56 -9.622 -5.231 -3.648 1.00 0.00 C ATOM 817 C TYR A 56 -10.915 -5.970 -3.976 1.00 0.00 C ATOM 818 O TYR A 56 -11.912 -5.849 -3.262 1.00 0.00 O ATOM 819 CB TYR A 56 -8.952 -5.868 -2.430 1.00 0.00 C ATOM 820 CG TYR A 56 -9.847 -5.938 -1.213 1.00 0.00 C ATOM 821 CD1 TYR A 56 -9.961 -4.857 -0.348 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.577 -7.084 -0.930 1.00 0.00 C ATOM 823 CE1 TYR A 56 -10.777 -4.917 0.765 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.397 -7.153 0.180 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.493 -6.066 1.026 1.00 0.00 C ATOM 826 OH TYR A 56 -12.307 -6.130 2.133 1.00 0.00 O ATOM 0 H TYR A 56 -10.778 -3.621 -2.958 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.952 -5.309 -4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.627 -6.875 -2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.057 -5.299 -2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.402 -3.955 -0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.503 -7.937 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -10.854 -4.068 1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -11.960 -8.052 0.385 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.503 -5.223 2.448 1.00 0.00 H new ATOM 836 N THR A 57 -10.891 -6.739 -5.060 1.00 0.00 N ATOM 837 CA THR A 57 -12.060 -7.499 -5.484 1.00 0.00 C ATOM 838 C THR A 57 -11.668 -8.632 -6.426 1.00 0.00 C ATOM 839 O THR A 57 -10.602 -8.599 -7.040 1.00 0.00 O ATOM 840 CB THR A 57 -13.092 -6.596 -6.187 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.330 -7.300 -6.344 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.582 -6.147 -7.548 1.00 0.00 C ATOM 0 H THR A 57 -10.074 -6.852 -5.660 1.00 0.00 H new ATOM 0 HA THR A 57 -12.508 -7.918 -4.583 1.00 0.00 H new ATOM 0 HB THR A 57 -13.251 -5.713 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.982 -6.720 -6.790 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.328 -5.511 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.655 -5.588 -7.423 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.397 -7.020 -8.173 1.00 0.00 H new ATOM 850 N MET A 58 -12.536 -9.632 -6.535 1.00 0.00 N ATOM 851 CA MET A 58 -12.279 -10.773 -7.406 1.00 0.00 C ATOM 852 C MET A 58 -12.742 -10.487 -8.830 1.00 0.00 C ATOM 853 O MET A 58 -12.339 -11.170 -9.772 1.00 0.00 O ATOM 854 CB MET A 58 -12.987 -12.020 -6.869 1.00 0.00 C ATOM 855 CG MET A 58 -14.503 -11.902 -6.863 1.00 0.00 C ATOM 856 SD MET A 58 -15.324 -13.506 -6.795 1.00 0.00 S ATOM 857 CE MET A 58 -14.378 -14.317 -5.508 1.00 0.00 C ATOM 0 H MET A 58 -13.422 -9.676 -6.032 1.00 0.00 H new ATOM 0 HA MET A 58 -11.204 -10.951 -7.422 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.700 -12.880 -7.474 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.642 -12.215 -5.854 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.814 -11.303 -6.007 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.826 -11.371 -7.758 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.852 -15.264 -5.250 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.365 -14.503 -5.864 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.341 -13.678 -4.626 1.00 0.00 H new ATOM 867 N ASP A 59 -13.587 -9.474 -8.980 1.00 0.00 N ATOM 868 CA ASP A 59 -14.102 -9.095 -10.291 1.00 0.00 C ATOM 869 C ASP A 59 -13.564 -7.732 -10.715 1.00 0.00 C ATOM 870 O ASP A 59 -14.250 -6.714 -10.632 1.00 0.00 O ATOM 871 CB ASP A 59 -15.633 -9.071 -10.273 1.00 0.00 C ATOM 872 CG ASP A 59 -16.233 -10.461 -10.215 1.00 0.00 C ATOM 873 OD1 ASP A 59 -15.459 -11.440 -10.187 1.00 0.00 O ATOM 874 OD2 ASP A 59 -17.478 -10.569 -10.201 1.00 0.00 O ATOM 0 H ASP A 59 -13.930 -8.900 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.766 -9.838 -11.015 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.974 -8.495 -9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.996 -8.559 -11.164 1.00 0.00 H new ATOM 879 N PRO A 60 -12.306 -7.711 -11.179 1.00 0.00 N ATOM 880 CA PRO A 60 -11.647 -6.479 -11.625 1.00 0.00 C ATOM 881 C PRO A 60 -12.239 -5.942 -12.923 1.00 0.00 C ATOM 882 O PRO A 60 -11.913 -4.836 -13.355 1.00 0.00 O ATOM 883 CB PRO A 60 -10.194 -6.912 -11.839 1.00 0.00 C ATOM 884 CG PRO A 60 -10.271 -8.374 -12.113 1.00 0.00 C ATOM 885 CD PRO A 60 -11.430 -8.888 -11.305 1.00 0.00 C ATOM 0 HA PRO A 60 -11.764 -5.670 -10.904 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.740 -6.376 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.586 -6.706 -10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.422 -8.564 -13.176 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.345 -8.873 -11.828 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.935 -9.713 -11.807 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.109 -9.256 -10.331 1.00 0.00 H new ATOM 941 N VAL A 64 -13.424 0.333 -10.554 1.00 0.00 N ATOM 942 CA VAL A 64 -12.760 0.321 -9.257 1.00 0.00 C ATOM 943 C VAL A 64 -13.671 0.876 -8.167 1.00 0.00 C ATOM 944 O VAL A 64 -13.618 0.441 -7.017 1.00 0.00 O ATOM 945 CB VAL A 64 -11.457 1.142 -9.286 1.00 0.00 C ATOM 946 CG1 VAL A 64 -10.488 0.569 -10.309 1.00 0.00 C ATOM 947 CG2 VAL A 64 -11.754 2.604 -9.582 1.00 0.00 C ATOM 0 HA VAL A 64 -12.522 -0.719 -9.034 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.989 1.082 -8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.573 1.162 -10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.250 -0.462 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.945 0.596 -11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.822 3.169 -9.599 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.245 2.686 -10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.408 3.006 -8.808 1.00 0.00 H new ATOM 957 N ASN A 65 -14.509 1.839 -8.536 1.00 0.00 N ATOM 958 CA ASN A 65 -15.433 2.454 -7.592 1.00 0.00 C ATOM 959 C ASN A 65 -16.507 1.460 -7.156 1.00 0.00 C ATOM 960 O ASN A 65 -17.089 1.591 -6.081 1.00 0.00 O ATOM 961 CB ASN A 65 -16.087 3.689 -8.213 1.00 0.00 C ATOM 962 CG ASN A 65 -17.304 3.339 -9.049 1.00 0.00 C ATOM 963 OD1 ASN A 65 -18.366 3.018 -8.514 1.00 0.00 O ATOM 964 ND2 ASN A 65 -17.155 3.401 -10.368 1.00 0.00 N ATOM 0 H ASN A 65 -14.567 2.211 -9.484 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.865 2.758 -6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.379 4.379 -7.421 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.359 4.208 -8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.939 3.178 -10.981 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.256 3.672 -10.768 1.00 0.00 H new ATOM 971 N ASN A 66 -16.764 0.467 -8.001 1.00 0.00 N ATOM 972 CA ASN A 66 -17.767 -0.549 -7.705 1.00 0.00 C ATOM 973 C ASN A 66 -17.168 -1.678 -6.871 1.00 0.00 C ATOM 974 O ASN A 66 -17.893 -2.449 -6.242 1.00 0.00 O ATOM 975 CB ASN A 66 -18.351 -1.113 -9.001 1.00 0.00 C ATOM 976 CG ASN A 66 -19.773 -1.613 -8.826 1.00 0.00 C ATOM 977 OD1 ASN A 66 -20.541 -1.066 -8.036 1.00 0.00 O ATOM 978 ND2 ASN A 66 -20.126 -2.659 -9.564 1.00 0.00 N ATOM 0 H ASN A 66 -16.291 0.344 -8.896 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.565 -0.079 -7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.332 -0.341 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.722 -1.930 -9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -21.069 -3.041 -9.489 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.455 -3.080 -10.206 1.00 0.00 H new ATOM 985 N TRP A 67 -15.844 -1.767 -6.870 1.00 0.00 N ATOM 986 CA TRP A 67 -15.148 -2.800 -6.113 1.00 0.00 C ATOM 987 C TRP A 67 -15.574 -2.784 -4.649 1.00 0.00 C ATOM 988 O TRP A 67 -16.340 -1.919 -4.227 1.00 0.00 O ATOM 989 CB TRP A 67 -13.634 -2.608 -6.219 1.00 0.00 C ATOM 990 CG TRP A 67 -13.091 -2.901 -7.585 1.00 0.00 C ATOM 991 CD1 TRP A 67 -13.808 -3.033 -8.740 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.719 -3.101 -7.937 1.00 0.00 C ATOM 993 NE1 TRP A 67 -12.963 -3.303 -9.789 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.675 -3.349 -9.323 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.521 -3.094 -7.217 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -10.482 -3.588 -9.999 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -9.338 -3.332 -7.890 1.00 0.00 C ATOM 998 CH2 TRP A 67 -9.325 -3.576 -9.270 1.00 0.00 C ATOM 0 H TRP A 67 -15.230 -1.136 -7.385 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.415 -3.767 -6.538 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.386 -1.581 -5.950 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -13.141 -3.256 -5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -14.881 -2.939 -8.817 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -13.248 -3.446 -10.758 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.520 -2.906 -6.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -10.470 -3.776 -11.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.407 -3.330 -7.343 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -8.384 -3.758 -9.767 1.00 0.00 H new ATOM 1009 N MET A 68 -15.071 -3.743 -3.880 1.00 0.00 N ATOM 1010 CA MET A 68 -15.399 -3.837 -2.461 1.00 0.00 C ATOM 1011 C MET A 68 -14.936 -2.591 -1.714 1.00 0.00 C ATOM 1012 O MET A 68 -15.726 -1.924 -1.045 1.00 0.00 O ATOM 1013 CB MET A 68 -14.758 -5.083 -1.849 1.00 0.00 C ATOM 1014 CG MET A 68 -15.765 -6.148 -1.448 1.00 0.00 C ATOM 1015 SD MET A 68 -15.476 -7.724 -2.277 1.00 0.00 S ATOM 1016 CE MET A 68 -14.414 -8.542 -1.091 1.00 0.00 C ATOM 0 H MET A 68 -14.435 -4.467 -4.215 1.00 0.00 H new ATOM 0 HA MET A 68 -16.482 -3.913 -2.367 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.056 -5.510 -2.565 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.181 -4.791 -0.972 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.721 -6.296 -0.369 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.771 -5.798 -1.681 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.486 -8.840 -1.579 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.190 -7.859 -0.271 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.918 -9.426 -0.700 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.649 -2.283 -1.829 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.078 -1.116 -1.164 1.00 0.00 C ATOM 1028 C LYS A 69 -13.103 -1.287 0.350 1.00 0.00 C ATOM 1029 O LYS A 69 -14.083 -1.775 0.915 1.00 0.00 O ATOM 1030 CB LYS A 69 -13.846 0.147 -1.559 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.133 0.246 -3.048 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.038 1.425 -3.364 1.00 0.00 C ATOM 1033 CE LYS A 69 -14.341 2.749 -3.091 1.00 0.00 C ATOM 1034 NZ LYS A 69 -15.027 3.528 -2.023 1.00 0.00 N ATOM 0 H LYS A 69 -12.981 -2.825 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.040 -1.018 -1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.789 0.174 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.274 1.021 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.195 0.349 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.602 -0.676 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.343 1.381 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.946 1.360 -2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.308 2.562 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.310 3.339 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.521 4.423 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.005 3.729 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.034 2.976 -1.141 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.018 -0.882 1.005 1.00 0.00 N ATOM 1049 CA HIS A 70 -11.918 -0.989 2.456 1.00 0.00 C ATOM 1050 C HIS A 70 -11.882 0.392 3.102 1.00 0.00 C ATOM 1051 O HIS A 70 -12.034 1.409 2.424 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.667 -1.779 2.845 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.937 -2.888 3.815 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -12.018 -3.738 3.704 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -10.258 -3.286 4.916 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -11.992 -4.609 4.697 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -10.934 -4.357 5.447 1.00 0.00 N ATOM 0 H HIS A 70 -11.197 -0.477 0.554 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.800 -1.517 2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.216 -2.196 1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.937 -1.097 3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.353 -2.844 5.305 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.714 -5.394 4.867 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.663 -4.874 6.284 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.682 0.422 4.415 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.629 1.680 5.153 1.00 0.00 C ATOM 1067 C ASN A 71 -10.789 1.533 6.418 1.00 0.00 C ATOM 1068 O ASN A 71 -11.162 0.815 7.345 1.00 0.00 O ATOM 1069 CB ASN A 71 -13.041 2.143 5.516 1.00 0.00 C ATOM 1070 CG ASN A 71 -13.147 3.652 5.614 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -12.191 4.329 5.994 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -14.312 4.188 5.271 1.00 0.00 N ATOM 0 H ASN A 71 -11.554 -0.410 4.991 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.162 2.429 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.744 1.780 4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -13.333 1.698 6.467 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.442 5.199 5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -15.078 3.589 4.962 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.649 2.220 6.448 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.757 2.167 7.599 1.00 0.00 C ATOM 1081 C VAL A 72 -8.748 3.495 8.349 1.00 0.00 C ATOM 1082 O VAL A 72 -9.156 4.524 7.812 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.316 1.819 7.177 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -7.195 0.335 6.867 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -6.895 2.660 5.980 1.00 0.00 C ATOM 0 H VAL A 72 -9.324 2.818 5.689 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.135 1.384 8.256 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.646 2.048 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.171 0.107 6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.454 -0.244 7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.874 0.077 6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.875 2.402 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.566 2.464 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.942 3.717 6.243 1.00 0.00 H new ATOM 1095 N ALA A 73 -8.280 3.463 9.592 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.216 4.665 10.415 1.00 0.00 C ATOM 1097 C ALA A 73 -6.786 4.951 10.857 1.00 0.00 C ATOM 1098 O ALA A 73 -6.455 4.834 12.038 1.00 0.00 O ATOM 1099 CB ALA A 73 -9.128 4.525 11.625 1.00 0.00 C ATOM 0 H ALA A 73 -7.940 2.618 10.051 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.557 5.507 9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.070 5.429 12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.155 4.377 11.291 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.813 3.669 12.221 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.940 5.326 9.905 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.543 5.629 10.197 1.00 0.00 C ATOM 1107 C ASP A 74 -3.815 4.391 10.712 1.00 0.00 C ATOM 1108 O ASP A 74 -3.118 4.447 11.725 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.449 6.757 11.225 1.00 0.00 C ATOM 1110 CG ASP A 74 -3.122 7.489 11.162 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.879 8.189 10.157 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.329 7.362 12.118 1.00 0.00 O ATOM 0 H ASP A 74 -6.197 5.428 8.923 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.064 5.950 9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.260 7.466 11.057 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.587 6.346 12.225 1.00 0.00 H new ATOM 1117 N SER A 75 -3.983 3.276 10.007 1.00 0.00 N ATOM 1118 CA SER A 75 -3.344 2.024 10.396 1.00 0.00 C ATOM 1119 C SER A 75 -2.180 1.695 9.466 1.00 0.00 C ATOM 1120 O SER A 75 -1.181 1.115 9.888 1.00 0.00 O ATOM 1121 CB SER A 75 -4.362 0.883 10.380 1.00 0.00 C ATOM 1122 OG SER A 75 -4.748 0.525 11.697 1.00 0.00 O ATOM 0 H SER A 75 -4.555 3.214 9.165 1.00 0.00 H new ATOM 0 HA SER A 75 -2.955 2.142 11.407 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.241 1.183 9.809 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.934 0.017 9.875 1.00 0.00 H new ATOM 0 HG SER A 75 -5.400 -0.205 11.660 1.00 0.00 H new ATOM 1128 N GLN A 76 -2.321 2.071 8.199 1.00 0.00 N ATOM 1129 CA GLN A 76 -1.282 1.815 7.208 1.00 0.00 C ATOM 1130 C GLN A 76 -1.074 0.316 7.011 1.00 0.00 C ATOM 1131 O GLN A 76 -0.062 -0.110 6.455 1.00 0.00 O ATOM 1132 CB GLN A 76 0.031 2.472 7.634 1.00 0.00 C ATOM 1133 CG GLN A 76 0.334 3.764 6.891 1.00 0.00 C ATOM 1134 CD GLN A 76 1.649 4.388 7.316 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.703 3.580 7.350 1.00 0.00 O flip ATOM 1136 NE2 GLN A 76 1.717 5.581 7.611 1.00 0.00 N flip ATOM 0 H GLN A 76 -3.143 2.553 7.835 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.605 2.246 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.006 2.678 8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.848 1.769 7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.360 3.565 5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.474 4.475 7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.882 6.165 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.609 5.986 7.896 1.00 0.00 H new ATOM 1145 N ILE A 77 -2.037 -0.475 7.471 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.959 -1.925 7.344 1.00 0.00 C ATOM 1147 C ILE A 77 -3.310 -2.575 7.623 1.00 0.00 C ATOM 1148 O ILE A 77 -3.995 -2.223 8.583 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.910 -2.518 8.303 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.685 -3.999 7.995 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.348 -2.332 9.748 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.532 -4.581 8.679 1.00 0.00 C ATOM 0 H ILE A 77 -2.880 -0.137 7.935 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.662 -2.136 6.317 1.00 0.00 H new ATOM 0 HB ILE A 77 0.032 -1.989 8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.567 -4.563 8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.581 -4.126 6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.596 -2.756 10.414 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.462 -1.269 9.960 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.300 -2.837 9.907 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.629 -5.634 8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.423 -4.043 8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.422 -4.486 9.759 1.00 0.00 H new ATOM 1164 N THR A 78 -3.688 -3.527 6.775 1.00 0.00 N ATOM 1165 CA THR A 78 -4.957 -4.228 6.930 1.00 0.00 C ATOM 1166 C THR A 78 -4.854 -5.667 6.441 1.00 0.00 C ATOM 1167 O THR A 78 -4.106 -5.966 5.509 1.00 0.00 O ATOM 1168 CB THR A 78 -6.088 -3.516 6.163 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.351 -4.098 6.503 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.867 -3.613 4.661 1.00 0.00 C ATOM 0 H THR A 78 -3.134 -3.830 5.974 1.00 0.00 H new ATOM 0 HA THR A 78 -5.192 -4.226 7.994 1.00 0.00 H new ATOM 0 HB THR A 78 -6.085 -2.464 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.844 -4.312 5.683 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.678 -3.103 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.918 -3.144 4.402 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.847 -4.661 4.363 1.00 0.00 H new ATOM 1178 N THR A 79 -5.609 -6.559 7.074 1.00 0.00 N ATOM 1179 CA THR A 79 -5.603 -7.967 6.703 1.00 0.00 C ATOM 1180 C THR A 79 -6.967 -8.406 6.183 1.00 0.00 C ATOM 1181 O THR A 79 -7.961 -8.363 6.911 1.00 0.00 O ATOM 1182 CB THR A 79 -5.208 -8.860 7.894 1.00 0.00 C ATOM 1183 OG1 THR A 79 -5.950 -8.480 9.058 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.718 -8.754 8.180 1.00 0.00 C ATOM 0 H THR A 79 -6.233 -6.330 7.847 1.00 0.00 H new ATOM 0 HA THR A 79 -4.863 -8.081 5.911 1.00 0.00 H new ATOM 0 HB THR A 79 -5.440 -9.894 7.637 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.872 -8.265 8.803 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.463 -9.394 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.155 -9.072 7.302 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.466 -7.721 8.418 1.00 0.00 H new ATOM 1192 N ILE A 80 -7.008 -8.831 4.926 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.251 -9.280 4.311 1.00 0.00 C ATOM 1194 C ILE A 80 -8.329 -10.802 4.277 1.00 0.00 C ATOM 1195 O ILE A 80 -7.372 -11.474 3.900 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.399 -8.737 2.878 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.370 -7.207 2.882 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.687 -9.246 2.248 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.049 -6.604 1.534 1.00 0.00 C ATOM 0 H ILE A 80 -6.194 -8.874 4.312 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.064 -8.891 4.923 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.560 -9.096 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.338 -6.835 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.631 -6.868 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.777 -8.853 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.670 -10.335 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.538 -8.915 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.046 -5.517 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.068 -6.947 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.802 -6.913 0.809 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.480 -11.340 4.672 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.662 -12.779 4.677 1.00 0.00 C ATOM 1213 C GLY A 81 -10.992 -13.196 4.081 1.00 0.00 C ATOM 1214 O GLY A 81 -11.664 -12.401 3.427 1.00 0.00 O ATOM 0 H GLY A 81 -10.288 -10.804 4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.853 -13.247 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.594 -13.147 5.701 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.371 -14.451 4.304 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.629 -14.974 3.781 1.00 0.00 C ATOM 1220 C ASN A 82 -12.626 -14.969 2.255 1.00 0.00 C ATOM 1221 O ASN A 82 -13.682 -14.906 1.623 1.00 0.00 O ATOM 1222 CB ASN A 82 -13.805 -14.147 4.303 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.121 -14.897 4.218 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.170 -16.036 3.755 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.195 -14.258 4.666 1.00 0.00 N ATOM 0 H ASN A 82 -10.826 -15.124 4.843 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.737 -16.003 4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.616 -13.865 5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.879 -13.223 3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.108 -14.711 4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.107 -13.314 5.042 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.435 -15.038 1.671 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.295 -15.043 0.218 1.00 0.00 C ATOM 1234 C LEU A 83 -11.256 -16.469 -0.321 1.00 0.00 C ATOM 1235 O LEU A 83 -11.471 -17.429 0.419 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.026 -14.294 -0.194 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.689 -13.045 0.621 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.287 -12.558 0.294 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.712 -11.948 0.364 1.00 0.00 C ATOM 0 H LEU A 83 -10.553 -15.091 2.180 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.162 -14.538 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.184 -14.983 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.122 -14.005 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.723 -13.304 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.064 -11.668 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.566 -13.340 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.224 -12.316 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.456 -11.067 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.711 -11.690 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.703 -12.300 0.650 1.00 0.00 H new ATOM 1251 N VAL A 84 -10.978 -16.600 -1.614 1.00 0.00 N ATOM 1252 CA VAL A 84 -10.907 -17.909 -2.251 1.00 0.00 C ATOM 1253 C VAL A 84 -9.501 -18.193 -2.767 1.00 0.00 C ATOM 1254 O VAL A 84 -8.870 -17.358 -3.417 1.00 0.00 O ATOM 1255 CB VAL A 84 -11.902 -18.019 -3.421 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.642 -16.931 -4.449 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -11.824 -19.399 -4.060 1.00 0.00 C ATOM 0 H VAL A 84 -10.798 -15.816 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.168 -18.645 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.910 -17.881 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.355 -17.026 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.755 -15.953 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.629 -17.032 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.534 -19.459 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.815 -19.569 -4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.067 -20.158 -3.317 1.00 0.00 H new ATOM 1267 N PRO A 85 -8.996 -19.401 -2.476 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.658 -19.824 -2.901 1.00 0.00 C ATOM 1269 C PRO A 85 -7.573 -20.044 -4.409 1.00 0.00 C ATOM 1270 O PRO A 85 -8.588 -20.254 -5.072 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.450 -21.144 -2.156 1.00 0.00 C ATOM 1272 CG PRO A 85 -8.824 -21.659 -1.904 1.00 0.00 C ATOM 1273 CD PRO A 85 -9.691 -20.447 -1.707 1.00 0.00 C ATOM 0 HA PRO A 85 -6.902 -19.071 -2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.867 -21.847 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.908 -20.990 -1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.176 -22.258 -2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.845 -22.301 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.703 -20.612 -2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.777 -20.181 -0.653 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.357 -19.995 -4.941 1.00 0.00 N ATOM 1282 CA GLN A 86 -6.141 -20.190 -6.371 1.00 0.00 C ATOM 1283 C GLN A 86 -7.000 -19.231 -7.187 1.00 0.00 C ATOM 1284 O GLN A 86 -7.729 -19.646 -8.087 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.454 -21.635 -6.762 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.574 -22.660 -6.065 1.00 0.00 C ATOM 1287 CD GLN A 86 -6.134 -24.066 -6.155 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -7.267 -24.324 -5.746 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -5.340 -24.986 -6.691 1.00 0.00 N ATOM 0 H GLN A 86 -5.506 -19.822 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.093 -19.982 -6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.498 -21.847 -6.530 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.339 -21.744 -7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.578 -22.640 -6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.462 -22.384 -5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.408 -24.728 -7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.662 -25.950 -6.777 1.00 0.00 H new ATOM 1298 N LYS A 87 -6.910 -17.945 -6.864 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.678 -16.925 -7.568 1.00 0.00 C ATOM 1300 C LYS A 87 -6.968 -15.575 -7.517 1.00 0.00 C ATOM 1301 O LYS A 87 -6.637 -15.077 -6.441 1.00 0.00 O ATOM 1302 CB LYS A 87 -9.078 -16.799 -6.957 1.00 0.00 C ATOM 1303 CG LYS A 87 -9.985 -17.978 -7.267 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.201 -18.137 -8.763 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.682 -18.155 -9.112 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.942 -17.579 -10.459 1.00 0.00 N ATOM 0 H LYS A 87 -6.313 -17.585 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.768 -17.230 -8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.986 -16.697 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.545 -15.885 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.548 -18.891 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.946 -17.839 -6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.711 -17.319 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.734 -19.061 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.050 -19.180 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.238 -17.592 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.962 -17.610 -10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.614 -16.592 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.432 -18.132 -11.177 1.00 0.00 H new ATOM 1320 N THR A 88 -6.737 -14.989 -8.687 1.00 0.00 N ATOM 1321 CA THR A 88 -6.066 -13.699 -8.776 1.00 0.00 C ATOM 1322 C THR A 88 -6.906 -12.597 -8.140 1.00 0.00 C ATOM 1323 O THR A 88 -8.096 -12.466 -8.426 1.00 0.00 O ATOM 1324 CB THR A 88 -5.767 -13.320 -10.239 1.00 0.00 C ATOM 1325 OG1 THR A 88 -5.122 -14.411 -10.905 1.00 0.00 O ATOM 1326 CG2 THR A 88 -4.885 -12.084 -10.309 1.00 0.00 C ATOM 0 H THR A 88 -7.005 -15.388 -9.587 1.00 0.00 H new ATOM 0 HA THR A 88 -5.125 -13.795 -8.234 1.00 0.00 H new ATOM 0 HB THR A 88 -6.713 -13.100 -10.734 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.937 -14.163 -11.835 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.688 -11.836 -11.352 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.391 -11.248 -9.827 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.942 -12.280 -9.798 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.279 -11.807 -7.275 1.00 0.00 N ATOM 1335 CA TYR A 89 -6.970 -10.717 -6.597 1.00 0.00 C ATOM 1336 C TYR A 89 -6.241 -9.393 -6.811 1.00 0.00 C ATOM 1337 O TYR A 89 -5.015 -9.325 -6.725 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.084 -11.012 -5.100 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.441 -11.540 -4.688 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.462 -10.671 -4.321 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.700 -12.903 -4.668 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.703 -11.149 -3.944 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -9.938 -13.389 -4.294 1.00 0.00 C ATOM 1344 CZ TYR A 89 -10.936 -12.509 -3.933 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.170 -12.988 -3.559 1.00 0.00 O ATOM 0 H TYR A 89 -5.294 -11.901 -7.027 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.970 -10.634 -7.022 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.321 -11.739 -4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.873 -10.100 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.283 -9.606 -4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.921 -13.596 -4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.486 -10.462 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.123 -14.453 -4.284 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.821 -12.256 -3.566 1.00 0.00 H new ATOM 1355 N SER A 90 -7.006 -8.343 -7.089 1.00 0.00 N ATOM 1356 CA SER A 90 -6.437 -7.022 -7.319 1.00 0.00 C ATOM 1357 C SER A 90 -6.281 -6.261 -6.008 1.00 0.00 C ATOM 1358 O SER A 90 -7.003 -6.512 -5.041 1.00 0.00 O ATOM 1359 CB SER A 90 -7.318 -6.224 -8.283 1.00 0.00 C ATOM 1360 OG SER A 90 -6.577 -5.788 -9.410 1.00 0.00 O ATOM 0 H SER A 90 -8.023 -8.382 -7.160 1.00 0.00 H new ATOM 0 HA SER A 90 -5.450 -7.152 -7.763 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.155 -6.841 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.740 -5.362 -7.766 1.00 0.00 H new ATOM 0 HG SER A 90 -7.189 -5.424 -10.083 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.334 -5.328 -5.979 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.082 -4.530 -4.785 1.00 0.00 C ATOM 1368 C VAL A 91 -4.557 -3.146 -5.152 1.00 0.00 C ATOM 1369 O VAL A 91 -3.634 -3.012 -5.956 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.072 -5.220 -3.851 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -3.798 -4.355 -2.628 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.580 -6.594 -3.439 1.00 0.00 C ATOM 0 H VAL A 91 -4.729 -5.106 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.034 -4.429 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.135 -5.351 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.082 -4.859 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.388 -3.396 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.728 -4.190 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.853 -7.068 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.531 -6.489 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.720 -7.211 -4.326 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.150 -2.118 -4.555 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.741 -0.742 -4.815 1.00 0.00 C ATOM 1384 C LYS A 92 -4.895 0.118 -3.564 1.00 0.00 C ATOM 1385 O LYS A 92 -5.944 0.112 -2.921 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.569 -0.150 -5.959 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.715 -1.082 -7.150 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.657 -0.508 -8.195 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.970 0.551 -9.043 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.660 0.750 -10.347 1.00 0.00 N ATOM 0 H LYS A 92 -5.916 -2.211 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.689 -0.750 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.560 0.105 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.104 0.779 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.737 -1.258 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.089 -2.049 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.022 -1.310 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.527 -0.073 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.946 1.494 -8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.935 0.259 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.977 1.091 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.066 -0.153 -10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.420 1.451 -10.234 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.843 0.856 -3.226 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.862 1.723 -2.054 1.00 0.00 C ATOM 1406 C VAL A 93 -3.664 3.183 -2.447 1.00 0.00 C ATOM 1407 O VAL A 93 -2.924 3.490 -3.383 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.773 1.322 -1.042 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -2.931 2.109 0.250 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.819 -0.174 -0.776 1.00 0.00 C ATOM 0 H VAL A 93 -2.966 0.871 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.841 1.605 -1.589 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.798 1.561 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.153 1.813 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.843 3.175 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.910 1.904 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.043 -0.440 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.795 -0.442 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.653 -0.715 -1.708 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.328 4.079 -1.726 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.226 5.509 -1.999 1.00 0.00 C ATOM 1422 C LEU A 94 -4.258 6.313 -0.703 1.00 0.00 C ATOM 1423 O LEU A 94 -4.568 5.780 0.363 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.363 5.956 -2.919 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.703 6.238 -2.240 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.800 7.701 -1.838 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.857 5.857 -3.158 1.00 0.00 C ATOM 0 H LEU A 94 -4.943 3.841 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.273 5.692 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.047 6.858 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.516 5.186 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.767 5.630 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.761 7.883 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.995 7.942 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.714 8.329 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.803 6.065 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.797 6.438 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.797 4.795 -3.396 1.00 0.00 H new ATOM 1439 N ALA A 95 -3.938 7.599 -0.803 1.00 0.00 N ATOM 1440 CA ALA A 95 -3.934 8.479 0.359 1.00 0.00 C ATOM 1441 C ALA A 95 -4.915 9.631 0.179 1.00 0.00 C ATOM 1442 O ALA A 95 -5.112 10.125 -0.933 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.531 9.011 0.615 1.00 0.00 C ATOM 0 H ALA A 95 -3.678 8.055 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.253 7.898 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.544 9.667 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.854 8.177 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.190 9.571 -0.256 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.528 10.058 1.277 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.492 11.152 1.240 1.00 0.00 C ATOM 1451 C PHE A 96 -6.466 11.944 2.544 1.00 0.00 C ATOM 1452 O PHE A 96 -6.307 11.377 3.625 1.00 0.00 O ATOM 1453 CB PHE A 96 -7.901 10.612 0.984 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.452 9.813 2.128 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.100 10.439 3.180 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.324 8.432 2.151 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.609 9.705 4.235 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -8.833 7.694 3.202 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.475 8.331 4.247 1.00 0.00 C ATOM 0 H PHE A 96 -5.375 9.663 2.205 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.214 11.820 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.570 11.448 0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.886 9.989 0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.209 11.513 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.821 7.928 1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.111 10.206 5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.729 6.619 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 96 -9.871 7.756 5.071 1.00 0.00 H new ATOM 1469 N THR A 97 -6.627 13.259 2.435 1.00 0.00 N ATOM 1470 CA THR A 97 -6.621 14.129 3.603 1.00 0.00 C ATOM 1471 C THR A 97 -7.949 14.865 3.748 1.00 0.00 C ATOM 1472 O THR A 97 -8.888 14.627 2.986 1.00 0.00 O ATOM 1473 CB THR A 97 -5.481 15.161 3.531 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.664 16.014 2.395 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.130 14.469 3.439 1.00 0.00 C ATOM 0 H THR A 97 -6.763 13.745 1.548 1.00 0.00 H new ATOM 0 HA THR A 97 -6.466 13.489 4.471 1.00 0.00 H new ATOM 0 HB THR A 97 -5.504 15.759 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.936 16.669 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.340 15.218 3.389 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.981 13.843 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.099 13.849 2.543 1.00 0.00 H new ATOM 1483 N SER A 98 -8.021 15.760 4.727 1.00 0.00 N ATOM 1484 CA SER A 98 -9.236 16.528 4.973 1.00 0.00 C ATOM 1485 C SER A 98 -9.595 17.379 3.757 1.00 0.00 C ATOM 1486 O SER A 98 -10.761 17.710 3.542 1.00 0.00 O ATOM 1487 CB SER A 98 -9.060 17.422 6.202 1.00 0.00 C ATOM 1488 OG SER A 98 -9.964 17.058 7.231 1.00 0.00 O ATOM 0 H SER A 98 -7.252 15.972 5.363 1.00 0.00 H new ATOM 0 HA SER A 98 -10.050 15.826 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.036 17.344 6.569 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.221 18.464 5.924 1.00 0.00 H new ATOM 0 HG SER A 98 -9.543 16.394 7.816 1.00 0.00 H new ATOM 1494 N ILE A 99 -8.585 17.731 2.970 1.00 0.00 N ATOM 1495 CA ILE A 99 -8.793 18.541 1.777 1.00 0.00 C ATOM 1496 C ILE A 99 -9.472 17.735 0.676 1.00 0.00 C ATOM 1497 O ILE A 99 -10.530 18.115 0.177 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.463 19.105 1.241 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -6.773 19.952 2.313 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -7.705 19.926 -0.017 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.585 21.151 2.750 1.00 0.00 C ATOM 0 H ILE A 99 -7.614 17.468 3.137 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.439 19.370 2.067 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.808 18.272 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.567 19.327 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.811 20.294 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.756 20.318 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.157 19.295 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.375 20.754 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.035 21.705 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.769 21.798 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.537 20.815 3.162 1.00 0.00 H new ATOM 1513 N GLY A 100 -8.855 16.618 0.302 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.415 15.774 -0.738 1.00 0.00 C ATOM 1515 C GLY A 100 -8.766 14.405 -0.787 1.00 0.00 C ATOM 1516 O GLY A 100 -8.252 13.919 0.222 1.00 0.00 O ATOM 0 H GLY A 100 -7.978 16.283 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.486 15.659 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.294 16.265 -1.704 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.790 13.782 -1.958 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.199 12.460 -2.134 1.00 0.00 C ATOM 1522 C ASP A 101 -6.943 12.538 -2.996 1.00 0.00 C ATOM 1523 O ASP A 101 -6.632 13.582 -3.567 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.211 11.506 -2.771 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.104 12.199 -3.781 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.565 12.818 -4.721 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.341 12.122 -3.631 1.00 0.00 O ATOM 0 H ASP A 101 -9.212 14.170 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.921 12.079 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.679 10.690 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.828 11.061 -1.990 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.223 11.423 -3.085 1.00 0.00 N ATOM 1533 CA GLY A 102 -5.008 11.386 -3.878 1.00 0.00 C ATOM 1534 C GLY A 102 -5.034 10.293 -4.928 1.00 0.00 C ATOM 1535 O GLY A 102 -5.941 9.461 -4.967 1.00 0.00 O ATOM 0 H GLY A 102 -6.460 10.545 -2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.867 12.351 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.153 11.233 -3.220 1.00 0.00 H new ATOM 1539 N PRO A 103 -4.020 10.286 -5.805 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.908 9.293 -6.878 1.00 0.00 C ATOM 1541 C PRO A 103 -3.587 7.900 -6.348 1.00 0.00 C ATOM 1542 O PRO A 103 -2.811 7.748 -5.403 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.751 9.819 -7.731 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.933 10.640 -6.793 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.904 11.247 -5.819 1.00 0.00 C ATOM 0 HA PRO A 103 -4.843 9.180 -7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.167 9.002 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.115 10.417 -8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.196 10.025 -6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.383 11.414 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.461 11.363 -4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.230 12.236 -6.140 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.187 6.885 -6.960 1.00 0.00 N ATOM 1554 CA LEU A 104 -3.963 5.503 -6.549 1.00 0.00 C ATOM 1555 C LEU A 104 -2.526 5.076 -6.830 1.00 0.00 C ATOM 1556 O LEU A 104 -1.786 5.774 -7.525 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.937 4.571 -7.274 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.423 4.843 -7.044 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.222 4.547 -8.304 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.942 4.016 -5.876 1.00 0.00 C ATOM 0 H LEU A 104 -4.832 6.993 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.137 5.436 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.738 4.632 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.724 3.547 -6.968 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.545 5.898 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.278 4.747 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.868 5.182 -9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.093 3.500 -8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.002 4.222 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.806 2.956 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.391 4.276 -4.972 1.00 0.00 H new ATOM 1572 N SER A 105 -2.140 3.925 -6.290 1.00 0.00 N ATOM 1573 CA SER A 105 -0.791 3.405 -6.482 1.00 0.00 C ATOM 1574 C SER A 105 -0.748 2.426 -7.652 1.00 0.00 C ATOM 1575 O SER A 105 -1.777 2.105 -8.246 1.00 0.00 O ATOM 1576 CB SER A 105 -0.302 2.716 -5.207 1.00 0.00 C ATOM 1577 OG SER A 105 -0.420 1.309 -5.310 1.00 0.00 O ATOM 0 H SER A 105 -2.742 3.335 -5.716 1.00 0.00 H new ATOM 0 HA SER A 105 -0.133 4.244 -6.709 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.738 2.984 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.880 3.071 -4.354 1.00 0.00 H new ATOM 0 HG SER A 105 -0.099 0.892 -4.483 1.00 0.00 H new ATOM 1583 N SER A 106 0.452 1.955 -7.976 1.00 0.00 N ATOM 1584 CA SER A 106 0.632 1.015 -9.075 1.00 0.00 C ATOM 1585 C SER A 106 -0.260 -0.210 -8.896 1.00 0.00 C ATOM 1586 O SER A 106 -0.267 -0.836 -7.835 1.00 0.00 O ATOM 1587 CB SER A 106 2.097 0.585 -9.172 1.00 0.00 C ATOM 1588 OG SER A 106 2.740 1.204 -10.272 1.00 0.00 O ATOM 0 H SER A 106 1.314 2.209 -7.493 1.00 0.00 H new ATOM 0 HA SER A 106 0.347 1.517 -9.999 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.617 0.845 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.155 -0.498 -9.276 1.00 0.00 H new ATOM 0 HG SER A 106 3.675 0.914 -10.310 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.011 -0.547 -9.939 1.00 0.00 N ATOM 1595 CA ASP A 107 -1.906 -1.697 -9.899 1.00 0.00 C ATOM 1596 C ASP A 107 -1.129 -2.981 -9.620 1.00 0.00 C ATOM 1597 O ASP A 107 -0.315 -3.413 -10.435 1.00 0.00 O ATOM 1598 CB ASP A 107 -2.668 -1.824 -11.218 1.00 0.00 C ATOM 1599 CG ASP A 107 -3.154 -0.485 -11.735 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -3.394 0.420 -10.910 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -3.296 -0.342 -12.968 1.00 0.00 O ATOM 0 H ASP A 107 -1.017 -0.039 -10.824 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.620 -1.542 -9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.022 -2.286 -11.965 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.521 -2.488 -11.079 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.385 -3.581 -8.462 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.709 -4.815 -8.077 1.00 0.00 C ATOM 1608 C ILE A 108 -1.701 -5.965 -7.944 1.00 0.00 C ATOM 1609 O ILE A 108 -2.862 -5.758 -7.595 1.00 0.00 O ATOM 1610 CB ILE A 108 0.049 -4.648 -6.747 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.900 -4.161 -5.651 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.212 -3.682 -6.917 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.383 -4.406 -4.251 1.00 0.00 C ATOM 0 H ILE A 108 -2.054 -3.234 -7.775 1.00 0.00 H new ATOM 0 HA ILE A 108 0.006 -5.045 -8.867 1.00 0.00 H new ATOM 0 HB ILE A 108 0.449 -5.618 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.077 -3.093 -5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.862 -4.660 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.738 -3.575 -5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.899 -4.068 -7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.834 -2.710 -7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.107 -4.035 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.233 -5.475 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.565 -3.884 -4.117 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.233 -7.178 -8.225 1.00 0.00 N ATOM 1626 CA GLN A 109 -2.078 -8.361 -8.136 1.00 0.00 C ATOM 1627 C GLN A 109 -1.360 -9.490 -7.402 1.00 0.00 C ATOM 1628 O GLN A 109 -0.199 -9.784 -7.681 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.489 -8.828 -9.533 1.00 0.00 C ATOM 1630 CG GLN A 109 -3.696 -8.089 -10.090 1.00 0.00 C ATOM 1631 CD GLN A 109 -3.665 -7.977 -11.601 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -4.440 -8.631 -12.300 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -2.767 -7.145 -12.115 1.00 0.00 N ATOM 0 H GLN A 109 -0.274 -7.366 -8.516 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.972 -8.095 -7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.647 -8.697 -10.213 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.710 -9.895 -9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.606 -8.607 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.738 -7.090 -9.656 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.144 -6.623 -11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.700 -7.028 -13.126 1.00 0.00 H new ATOM 1642 N VAL A 110 -2.060 -10.117 -6.461 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.489 -11.214 -5.688 1.00 0.00 C ATOM 1644 C VAL A 110 -2.399 -12.436 -5.713 1.00 0.00 C ATOM 1645 O VAL A 110 -3.605 -12.329 -5.489 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.244 -10.799 -4.224 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.540 -10.341 -3.574 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.623 -11.947 -3.443 1.00 0.00 C ATOM 0 H VAL A 110 -3.022 -9.884 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.535 -11.466 -6.152 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.546 -9.962 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.347 -10.052 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.939 -9.487 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.264 -11.155 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.457 -11.637 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.296 -12.805 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.329 -12.223 -3.897 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.813 -13.597 -5.986 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.571 -14.841 -6.040 1.00 0.00 C ATOM 1660 C ILE A 111 -2.706 -15.462 -4.653 1.00 0.00 C ATOM 1661 O ILE A 111 -1.776 -15.418 -3.848 1.00 0.00 O ATOM 1662 CB ILE A 111 -1.913 -15.862 -6.986 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.811 -15.287 -8.400 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.700 -17.163 -6.992 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.427 -15.397 -8.998 1.00 0.00 C ATOM 0 H ILE A 111 -0.816 -13.702 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.561 -14.591 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.906 -16.072 -6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.519 -15.805 -9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.107 -14.238 -8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.222 -17.874 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.725 -17.578 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.718 -16.971 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.429 -14.970 -10.001 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.283 -14.855 -8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.136 -16.446 -9.051 1.00 0.00 H new ATOM 1677 N THR A 112 -3.871 -16.043 -4.383 1.00 0.00 N ATOM 1678 CA THR A 112 -4.128 -16.674 -3.094 1.00 0.00 C ATOM 1679 C THR A 112 -3.538 -18.079 -3.043 1.00 0.00 C ATOM 1680 O THR A 112 -4.182 -19.046 -3.449 1.00 0.00 O ATOM 1681 CB THR A 112 -5.637 -16.751 -2.798 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.356 -17.072 -3.995 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.147 -15.435 -2.231 1.00 0.00 C ATOM 0 H THR A 112 -4.651 -16.090 -5.039 1.00 0.00 H new ATOM 0 HA THR A 112 -3.648 -16.054 -2.336 1.00 0.00 H new ATOM 0 HB THR A 112 -5.799 -17.533 -2.057 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.292 -17.262 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.215 -15.515 -2.030 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.620 -15.209 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.972 -14.636 -2.952 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.312 -18.182 -2.541 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.637 -19.471 -2.437 1.00 0.00 C ATOM 1693 C GLN A 113 -0.791 -19.542 -1.170 1.00 0.00 C ATOM 1694 O GLN A 113 -0.115 -18.578 -0.806 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.757 -19.710 -3.665 1.00 0.00 C ATOM 1696 CG GLN A 113 0.516 -18.879 -3.673 1.00 0.00 C ATOM 1697 CD GLN A 113 1.233 -18.922 -5.008 1.00 0.00 C ATOM 1698 OE1 GLN A 113 0.628 -19.204 -6.042 1.00 0.00 O ATOM 1699 NE2 GLN A 113 2.531 -18.640 -4.994 1.00 0.00 N ATOM 0 H GLN A 113 -1.766 -17.390 -2.200 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.399 -20.249 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.492 -20.766 -3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.333 -19.486 -4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.272 -17.845 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.186 -19.241 -2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.994 -18.411 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 113 3.065 -18.652 -5.863 1.00 0.00 H new