USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 63 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 65 GLN : amide:sc= 0 X(o=0,f=0.033) USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN :FLIP amide:sc= -0.642 F(o=-1.2,f=-0.64) USER MOD Set 2.3: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -158:sc= -0.251 (180deg=-0.888) USER MOD Single : A 27 THR OG1 : rot -116:sc= 1.27 USER MOD Single : A 34 THR OG1 : rot 130:sc= 0.00468 USER MOD Single : A 35 ASN :FLIP amide:sc= -7.11! C(o=-7.7!,f=-7.1!) USER MOD Single : A 40 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.82) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0492 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.009) USER MOD Single : A 54 GLN :FLIP amide:sc= -7.2! C(o=-9.2!,f=-7.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 72 GLN : amide:sc= 0.572 K(o=0.57,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.205 K(o=0.21,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 -0.172 -6.299 -2.155 1.00 0.00 N ATOM 198 CA TRP A 16 -0.851 -5.480 -1.157 1.00 0.00 C ATOM 199 C TRP A 16 -0.634 -6.039 0.245 1.00 0.00 C ATOM 200 O TRP A 16 -0.253 -5.310 1.160 1.00 0.00 O ATOM 201 CB TRP A 16 -2.348 -5.405 -1.462 1.00 0.00 C ATOM 202 CG TRP A 16 -2.664 -4.599 -2.686 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.819 -4.314 -3.720 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.913 -3.975 -3.002 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.468 -3.549 -4.660 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.754 -3.328 -4.243 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.151 -3.900 -2.358 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.786 -2.617 -4.850 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.174 -3.194 -2.962 1.00 0.00 C ATOM 210 CH2 TRP A 16 -5.987 -2.561 -4.197 1.00 0.00 C ATOM 0 HA TRP A 16 -0.428 -4.476 -1.198 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.737 -6.415 -1.590 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.865 -4.971 -0.606 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.792 -4.641 -3.789 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.058 -3.202 -5.527 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.305 -4.385 -1.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.644 -2.127 -5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.135 -3.129 -2.473 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.807 -2.018 -4.643 1.00 0.00 H new ATOM 221 N GLU A 17 -0.878 -7.336 0.406 1.00 0.00 N ATOM 222 CA GLU A 17 -0.709 -7.990 1.698 1.00 0.00 C ATOM 223 C GLU A 17 0.609 -7.579 2.347 1.00 0.00 C ATOM 224 O GLU A 17 0.690 -7.413 3.565 1.00 0.00 O ATOM 225 CB GLU A 17 -0.757 -9.511 1.535 1.00 0.00 C ATOM 226 CG GLU A 17 -0.465 -10.270 2.818 1.00 0.00 C ATOM 227 CD GLU A 17 1.018 -10.490 3.041 1.00 0.00 C ATOM 228 OE1 GLU A 17 1.693 -10.974 2.108 1.00 0.00 O ATOM 229 OE2 GLU A 17 1.505 -10.179 4.148 1.00 0.00 O ATOM 0 H GLU A 17 -1.193 -7.954 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.527 -7.675 2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.743 -9.798 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.036 -9.809 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.878 -9.720 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.971 -11.235 2.788 1.00 0.00 H new ATOM 236 N LYS A 18 1.641 -7.417 1.526 1.00 0.00 N ATOM 237 CA LYS A 18 2.957 -7.024 2.018 1.00 0.00 C ATOM 238 C LYS A 18 2.960 -5.563 2.456 1.00 0.00 C ATOM 239 O LYS A 18 3.286 -5.251 3.601 1.00 0.00 O ATOM 240 CB LYS A 18 4.015 -7.246 0.935 1.00 0.00 C ATOM 241 CG LYS A 18 4.250 -8.709 0.604 1.00 0.00 C ATOM 242 CD LYS A 18 5.119 -8.869 -0.632 1.00 0.00 C ATOM 243 CE LYS A 18 6.572 -8.525 -0.341 1.00 0.00 C ATOM 244 NZ LYS A 18 7.439 -8.724 -1.535 1.00 0.00 N ATOM 0 H LYS A 18 1.592 -7.552 0.516 1.00 0.00 H new ATOM 0 HA LYS A 18 3.195 -7.644 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.711 -6.722 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.955 -6.801 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.726 -9.203 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.293 -9.205 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.053 -9.895 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.744 -8.225 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.641 -7.488 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.935 -9.145 0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.421 -8.479 -1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.394 -9.719 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.109 -8.113 -2.309 1.00 0.00 H new ATOM 258 N GLU A 19 2.595 -4.674 1.539 1.00 0.00 N ATOM 259 CA GLU A 19 2.556 -3.246 1.833 1.00 0.00 C ATOM 260 C GLU A 19 1.664 -2.963 3.038 1.00 0.00 C ATOM 261 O GLU A 19 1.830 -1.953 3.722 1.00 0.00 O ATOM 262 CB GLU A 19 2.051 -2.466 0.617 1.00 0.00 C ATOM 263 CG GLU A 19 2.804 -2.782 -0.664 1.00 0.00 C ATOM 264 CD GLU A 19 4.246 -3.177 -0.411 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.497 -4.375 -0.160 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.123 -2.290 -0.464 1.00 0.00 O ATOM 0 H GLU A 19 2.322 -4.916 0.587 1.00 0.00 H new ATOM 0 HA GLU A 19 3.570 -2.922 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.993 -2.684 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.131 -1.398 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.296 -3.591 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.779 -1.912 -1.320 1.00 0.00 H new ATOM 273 N GLU A 20 0.719 -3.862 3.292 1.00 0.00 N ATOM 274 CA GLU A 20 -0.200 -3.708 4.414 1.00 0.00 C ATOM 275 C GLU A 20 0.559 -3.667 5.737 1.00 0.00 C ATOM 276 O GLU A 20 0.138 -3.007 6.686 1.00 0.00 O ATOM 277 CB GLU A 20 -1.215 -4.853 4.431 1.00 0.00 C ATOM 278 CG GLU A 20 -2.480 -4.557 3.643 1.00 0.00 C ATOM 279 CD GLU A 20 -3.505 -3.786 4.453 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.006 -4.338 5.455 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.806 -2.631 4.085 1.00 0.00 O ATOM 0 H GLU A 20 0.569 -4.704 2.737 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.730 -2.764 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.746 -5.749 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.484 -5.074 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.223 -3.986 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.921 -5.495 3.305 1.00 0.00 H new ATOM 288 N ALA A 21 1.681 -4.378 5.791 1.00 0.00 N ATOM 289 CA ALA A 21 2.500 -4.422 6.996 1.00 0.00 C ATOM 290 C ALA A 21 3.287 -3.127 7.172 1.00 0.00 C ATOM 291 O ALA A 21 3.575 -2.712 8.295 1.00 0.00 O ATOM 292 CB ALA A 21 3.444 -5.614 6.949 1.00 0.00 C ATOM 0 H ALA A 21 2.043 -4.931 5.014 1.00 0.00 H new ATOM 0 HA ALA A 21 1.836 -4.532 7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.050 -5.634 7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.864 -6.535 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.095 -5.528 6.079 1.00 0.00 H new ATOM 298 N LEU A 22 3.633 -2.494 6.057 1.00 0.00 N ATOM 299 CA LEU A 22 4.388 -1.247 6.088 1.00 0.00 C ATOM 300 C LEU A 22 3.498 -0.081 6.507 1.00 0.00 C ATOM 301 O LEU A 22 3.986 0.998 6.839 1.00 0.00 O ATOM 302 CB LEU A 22 5.003 -0.965 4.716 1.00 0.00 C ATOM 303 CG LEU A 22 5.799 -2.111 4.089 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.828 -1.976 2.575 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.213 -2.147 4.650 1.00 0.00 C ATOM 0 H LEU A 22 3.403 -2.824 5.120 1.00 0.00 H new ATOM 0 HA LEU A 22 5.186 -1.354 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.202 -0.688 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.659 -0.099 4.805 1.00 0.00 H new ATOM 0 HG LEU A 22 5.305 -3.050 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.399 -2.800 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.809 -2.001 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.297 -1.030 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.765 -2.968 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.716 -1.205 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.173 -2.293 5.729 1.00 0.00 H new ATOM 317 N GLY A 23 2.188 -0.309 6.491 1.00 0.00 N ATOM 318 CA GLY A 23 1.250 0.730 6.874 1.00 0.00 C ATOM 319 C GLY A 23 1.466 2.018 6.104 1.00 0.00 C ATOM 320 O GLY A 23 1.299 2.056 4.886 1.00 0.00 O ATOM 0 H GLY A 23 1.760 -1.194 6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.233 0.376 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.347 0.928 7.942 1.00 0.00 H new ATOM 324 N GLU A 24 1.837 3.077 6.818 1.00 0.00 N ATOM 325 CA GLU A 24 2.073 4.374 6.194 1.00 0.00 C ATOM 326 C GLU A 24 3.199 4.286 5.168 1.00 0.00 C ATOM 327 O GLU A 24 3.362 5.174 4.332 1.00 0.00 O ATOM 328 CB GLU A 24 2.416 5.421 7.256 1.00 0.00 C ATOM 329 CG GLU A 24 1.284 5.690 8.233 1.00 0.00 C ATOM 330 CD GLU A 24 1.774 6.247 9.555 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.470 7.284 9.540 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.464 5.645 10.604 1.00 0.00 O ATOM 0 H GLU A 24 1.980 3.062 7.828 1.00 0.00 H new ATOM 0 HA GLU A 24 1.159 4.674 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.293 5.089 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.687 6.354 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.582 6.393 7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.737 4.764 8.413 1.00 0.00 H new ATOM 339 N MET A 25 3.975 3.209 5.240 1.00 0.00 N ATOM 340 CA MET A 25 5.086 3.005 4.317 1.00 0.00 C ATOM 341 C MET A 25 4.633 2.227 3.085 1.00 0.00 C ATOM 342 O MET A 25 5.436 1.921 2.204 1.00 0.00 O ATOM 343 CB MET A 25 6.226 2.260 5.015 1.00 0.00 C ATOM 344 CG MET A 25 7.248 3.181 5.660 1.00 0.00 C ATOM 345 SD MET A 25 8.034 4.287 4.473 1.00 0.00 S ATOM 346 CE MET A 25 8.608 3.115 3.247 1.00 0.00 C ATOM 0 H MET A 25 3.855 2.465 5.927 1.00 0.00 H new ATOM 0 HA MET A 25 5.444 3.983 3.996 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.807 1.604 5.778 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.731 1.622 4.289 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.760 3.773 6.434 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.013 2.580 6.152 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.422 3.558 2.674 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.963 2.213 3.745 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.788 2.860 2.575 1.00 0.00 H new ATOM 356 N ALA A 26 3.343 1.912 3.031 1.00 0.00 N ATOM 357 CA ALA A 26 2.785 1.172 1.906 1.00 0.00 C ATOM 358 C ALA A 26 3.207 1.790 0.578 1.00 0.00 C ATOM 359 O ALA A 26 2.986 2.977 0.335 1.00 0.00 O ATOM 360 CB ALA A 26 1.268 1.122 2.009 1.00 0.00 C ATOM 0 H ALA A 26 2.665 2.158 3.753 1.00 0.00 H new ATOM 0 HA ALA A 26 3.175 0.155 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.864 0.567 1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.982 0.627 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.869 2.136 2.001 1.00 0.00 H new ATOM 366 N THR A 27 3.817 0.978 -0.280 1.00 0.00 N ATOM 367 CA THR A 27 4.272 1.446 -1.583 1.00 0.00 C ATOM 368 C THR A 27 3.130 1.461 -2.592 1.00 0.00 C ATOM 369 O THR A 27 3.356 1.513 -3.801 1.00 0.00 O ATOM 370 CB THR A 27 5.413 0.567 -2.129 1.00 0.00 C ATOM 371 OG1 THR A 27 4.905 -0.719 -2.501 1.00 0.00 O ATOM 372 CG2 THR A 27 6.513 0.402 -1.092 1.00 0.00 C ATOM 0 H THR A 27 4.007 -0.007 -0.096 1.00 0.00 H new ATOM 0 HA THR A 27 4.641 2.462 -1.442 1.00 0.00 H new ATOM 0 HB THR A 27 5.833 1.059 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.306 -1.407 -1.929 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.307 -0.222 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.918 1.380 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.103 -0.070 -0.199 1.00 0.00 H new ATOM 380 N VAL A 28 1.901 1.415 -2.088 1.00 0.00 N ATOM 381 CA VAL A 28 0.722 1.425 -2.946 1.00 0.00 C ATOM 382 C VAL A 28 -0.191 2.599 -2.611 1.00 0.00 C ATOM 383 O VAL A 28 -0.158 3.128 -1.501 1.00 0.00 O ATOM 384 CB VAL A 28 -0.078 0.115 -2.816 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.766 -0.223 -4.130 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.831 -1.022 -2.374 1.00 0.00 C ATOM 0 H VAL A 28 1.696 1.370 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 28 1.078 1.525 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.847 0.253 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.326 -1.151 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.448 0.582 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.017 -0.343 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.250 -1.940 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.623 -1.162 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.273 -0.780 -1.408 1.00 0.00 H new ATOM 396 N ALA A 29 -1.007 3.002 -3.580 1.00 0.00 N ATOM 397 CA ALA A 29 -1.932 4.112 -3.388 1.00 0.00 C ATOM 398 C ALA A 29 -3.065 3.726 -2.444 1.00 0.00 C ATOM 399 O ALA A 29 -3.284 4.355 -1.409 1.00 0.00 O ATOM 400 CB ALA A 29 -2.490 4.571 -4.727 1.00 0.00 C ATOM 0 H ALA A 29 -1.046 2.576 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.382 4.937 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.179 5.400 -4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.672 4.897 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.019 3.745 -5.203 1.00 0.00 H new ATOM 406 N PRO A 30 -3.804 2.667 -2.807 1.00 0.00 N ATOM 407 CA PRO A 30 -4.928 2.174 -2.006 1.00 0.00 C ATOM 408 C PRO A 30 -4.471 1.531 -0.701 1.00 0.00 C ATOM 409 O PRO A 30 -4.959 1.873 0.376 1.00 0.00 O ATOM 410 CB PRO A 30 -5.581 1.131 -2.916 1.00 0.00 C ATOM 411 CG PRO A 30 -4.486 0.675 -3.817 1.00 0.00 C ATOM 412 CD PRO A 30 -3.599 1.870 -4.028 1.00 0.00 C ATOM 0 HA PRO A 30 -5.600 2.979 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.989 0.302 -2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.407 1.562 -3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.930 -0.149 -3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.885 0.313 -4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.555 1.580 -4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.880 2.426 -4.923 1.00 0.00 H new ATOM 420 N VAL A 31 -3.530 0.597 -0.804 1.00 0.00 N ATOM 421 CA VAL A 31 -3.006 -0.093 0.368 1.00 0.00 C ATOM 422 C VAL A 31 -2.445 0.896 1.383 1.00 0.00 C ATOM 423 O VAL A 31 -2.246 0.559 2.551 1.00 0.00 O ATOM 424 CB VAL A 31 -1.903 -1.097 -0.018 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.592 -2.023 1.148 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.315 -1.894 -1.247 1.00 0.00 C ATOM 0 H VAL A 31 -3.115 0.301 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.840 -0.634 0.815 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.998 -0.540 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.811 -2.725 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.251 -1.434 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.491 -2.574 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.524 -2.598 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.233 -2.441 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.483 -1.214 -2.082 1.00 0.00 H new ATOM 436 N LEU A 32 -2.192 2.119 0.931 1.00 0.00 N ATOM 437 CA LEU A 32 -1.654 3.160 1.800 1.00 0.00 C ATOM 438 C LEU A 32 -2.776 3.984 2.422 1.00 0.00 C ATOM 439 O LEU A 32 -2.842 4.140 3.642 1.00 0.00 O ATOM 440 CB LEU A 32 -0.712 4.073 1.012 1.00 0.00 C ATOM 441 CG LEU A 32 -0.265 5.350 1.724 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.441 5.015 3.029 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.642 6.174 0.821 1.00 0.00 C ATOM 0 H LEU A 32 -2.351 2.414 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.096 2.677 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.176 3.501 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.204 4.353 0.081 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.150 5.943 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.752 5.936 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.240 4.467 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.317 4.401 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.951 7.079 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.523 5.588 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.103 6.445 -0.087 1.00 0.00 H new ATOM 455 N TYR A 33 -3.658 4.507 1.578 1.00 0.00 N ATOM 456 CA TYR A 33 -4.778 5.315 2.045 1.00 0.00 C ATOM 457 C TYR A 33 -5.442 4.674 3.260 1.00 0.00 C ATOM 458 O TYR A 33 -5.595 5.307 4.306 1.00 0.00 O ATOM 459 CB TYR A 33 -5.805 5.497 0.926 1.00 0.00 C ATOM 460 CG TYR A 33 -7.113 6.092 1.395 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.132 5.283 1.883 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.329 7.464 1.352 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.329 5.823 2.312 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.523 8.013 1.781 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.519 7.188 2.259 1.00 0.00 C ATOM 466 OH TYR A 33 -10.710 7.729 2.687 1.00 0.00 O ATOM 0 H TYR A 33 -3.619 4.386 0.566 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.392 6.292 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.379 6.139 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.001 4.530 0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.986 4.214 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.551 8.112 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.112 5.180 2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.675 9.082 1.742 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.682 8.703 2.585 1.00 0.00 H new ATOM 476 N THR A 34 -5.834 3.412 3.116 1.00 0.00 N ATOM 477 CA THR A 34 -6.482 2.685 4.200 1.00 0.00 C ATOM 478 C THR A 34 -5.578 2.601 5.424 1.00 0.00 C ATOM 479 O THR A 34 -6.017 2.834 6.549 1.00 0.00 O ATOM 480 CB THR A 34 -6.871 1.259 3.765 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.790 0.653 3.047 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.117 1.281 2.892 1.00 0.00 C ATOM 0 H THR A 34 -5.714 2.872 2.259 1.00 0.00 H new ATOM 0 HA THR A 34 -7.385 3.239 4.456 1.00 0.00 H new ATOM 0 HB THR A 34 -7.084 0.675 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.606 -0.234 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.373 0.263 2.597 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.945 1.716 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.927 1.880 2.001 1.00 0.00 H new ATOM 490 N ASN A 35 -4.311 2.268 5.196 1.00 0.00 N ATOM 491 CA ASN A 35 -3.344 2.154 6.282 1.00 0.00 C ATOM 492 C ASN A 35 -3.385 3.387 7.179 1.00 0.00 C ATOM 493 O ASN A 35 -3.181 3.294 8.390 1.00 0.00 O ATOM 494 CB ASN A 35 -1.934 1.966 5.719 1.00 0.00 C ATOM 495 CG ASN A 35 -1.658 0.529 5.320 1.00 0.00 C ATOM 496 OD1 ASN A 35 -0.684 0.337 4.437 1.00 0.00 O flip ATOM 497 ND2 ASN A 35 -2.312 -0.397 5.799 1.00 0.00 N flip ATOM 0 H ASN A 35 -3.931 2.073 4.270 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.609 1.282 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.803 2.613 4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.203 2.280 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.051 -0.203 6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.115 -1.358 5.521 1.00 0.00 H new ATOM 504 N ILE A 36 -3.651 4.541 6.577 1.00 0.00 N ATOM 505 CA ILE A 36 -3.721 5.792 7.321 1.00 0.00 C ATOM 506 C ILE A 36 -5.150 6.089 7.765 1.00 0.00 C ATOM 507 O ILE A 36 -5.448 6.109 8.958 1.00 0.00 O ATOM 508 CB ILE A 36 -3.200 6.975 6.484 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.713 6.791 6.172 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.434 8.287 7.217 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.227 7.644 5.020 1.00 0.00 C ATOM 0 H ILE A 36 -3.822 4.635 5.576 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.087 5.672 8.200 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.749 7.005 5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.131 7.031 7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.525 5.742 5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.060 9.113 6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.501 8.420 7.393 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.908 8.269 8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.165 7.462 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.783 7.388 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.382 8.697 5.256 1.00 0.00 H new ATOM 523 N ASN A 37 -6.029 6.318 6.795 1.00 0.00 N ATOM 524 CA ASN A 37 -7.428 6.612 7.085 1.00 0.00 C ATOM 525 C ASN A 37 -8.018 5.571 8.031 1.00 0.00 C ATOM 526 O ASN A 37 -8.663 5.912 9.023 1.00 0.00 O ATOM 527 CB ASN A 37 -8.241 6.659 5.790 1.00 0.00 C ATOM 528 CG ASN A 37 -8.194 8.023 5.128 1.00 0.00 C ATOM 529 OD1 ASN A 37 -7.091 8.313 4.449 1.00 0.00 O flip ATOM 530 ND2 ASN A 37 -9.140 8.805 5.225 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.798 6.306 5.802 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.475 7.587 7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.860 5.909 5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.277 6.398 6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.969 8.540 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.095 9.718 4.773 1.00 0.00 H new ATOM 537 N PHE A 38 -7.792 4.299 7.718 1.00 0.00 N ATOM 538 CA PHE A 38 -8.301 3.207 8.539 1.00 0.00 C ATOM 539 C PHE A 38 -7.158 2.455 9.214 1.00 0.00 C ATOM 540 O PHE A 38 -6.679 1.432 8.723 1.00 0.00 O ATOM 541 CB PHE A 38 -9.129 2.243 7.687 1.00 0.00 C ATOM 542 CG PHE A 38 -10.367 2.865 7.108 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.294 3.668 5.981 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.605 2.648 7.692 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.431 4.242 5.446 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.746 3.219 7.161 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.659 4.018 6.038 1.00 0.00 C ATOM 0 H PHE A 38 -7.259 3.999 6.901 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.938 3.634 9.313 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.509 1.864 6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.414 1.386 8.297 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.336 3.847 5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.679 2.026 8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.360 4.865 4.566 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.705 3.040 7.624 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.549 4.467 5.623 1.00 0.00 H new ATOM 557 N PRO A 39 -6.708 2.973 10.366 1.00 0.00 N ATOM 558 CA PRO A 39 -5.616 2.367 11.133 1.00 0.00 C ATOM 559 C PRO A 39 -6.021 1.044 11.773 1.00 0.00 C ATOM 560 O PRO A 39 -5.230 0.103 11.830 1.00 0.00 O ATOM 561 CB PRO A 39 -5.317 3.413 12.211 1.00 0.00 C ATOM 562 CG PRO A 39 -6.591 4.168 12.370 1.00 0.00 C ATOM 563 CD PRO A 39 -7.232 4.190 11.009 1.00 0.00 C ATOM 0 HA PRO A 39 -4.760 2.127 10.503 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.016 2.942 13.147 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.502 4.071 11.909 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.242 3.686 13.100 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.403 5.180 12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.320 4.172 11.077 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.962 5.087 10.452 1.00 0.00 H new ATOM 571 N ASN A 40 -7.258 0.978 12.253 1.00 0.00 N ATOM 572 CA ASN A 40 -7.768 -0.231 12.889 1.00 0.00 C ATOM 573 C ASN A 40 -8.388 -1.169 11.857 1.00 0.00 C ATOM 574 O ASN A 40 -9.029 -2.160 12.208 1.00 0.00 O ATOM 575 CB ASN A 40 -8.805 0.127 13.956 1.00 0.00 C ATOM 576 CG ASN A 40 -8.421 1.365 14.743 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.863 2.472 14.434 1.00 0.00 O ATOM 578 ND2 ASN A 40 -7.593 1.183 15.765 1.00 0.00 N ATOM 0 H ASN A 40 -7.926 1.748 12.214 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.930 -0.743 13.363 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.772 0.288 13.479 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.923 -0.713 14.640 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.298 1.979 16.331 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.252 0.247 15.985 1.00 0.00 H new ATOM 585 N LEU A 41 -8.191 -0.849 10.583 1.00 0.00 N ATOM 586 CA LEU A 41 -8.729 -1.663 9.498 1.00 0.00 C ATOM 587 C LEU A 41 -8.649 -3.148 9.840 1.00 0.00 C ATOM 588 O LEU A 41 -9.670 -3.827 9.947 1.00 0.00 O ATOM 589 CB LEU A 41 -7.970 -1.385 8.200 1.00 0.00 C ATOM 590 CG LEU A 41 -8.585 -1.963 6.925 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.624 -1.011 6.354 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.503 -2.256 5.896 1.00 0.00 C ATOM 0 H LEU A 41 -7.663 -0.032 10.276 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.777 -1.396 9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.881 -0.305 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.959 -1.779 8.303 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.081 -2.900 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.051 -1.439 5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.415 -0.853 7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.153 -0.057 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.959 -2.667 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.977 -1.334 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.797 -2.978 6.306 1.00 0.00 H new ATOM 604 N LYS A 42 -7.429 -3.645 10.011 1.00 0.00 N ATOM 605 CA LYS A 42 -7.213 -5.048 10.344 1.00 0.00 C ATOM 606 C LYS A 42 -8.297 -5.555 11.290 1.00 0.00 C ATOM 607 O LYS A 42 -8.854 -6.633 11.088 1.00 0.00 O ATOM 608 CB LYS A 42 -5.835 -5.236 10.983 1.00 0.00 C ATOM 609 CG LYS A 42 -5.568 -4.291 12.142 1.00 0.00 C ATOM 610 CD LYS A 42 -4.159 -4.460 12.685 1.00 0.00 C ATOM 611 CE LYS A 42 -3.969 -5.825 13.327 1.00 0.00 C ATOM 612 NZ LYS A 42 -2.559 -6.047 13.753 1.00 0.00 N ATOM 0 H LYS A 42 -6.574 -3.096 9.924 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.260 -5.626 9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.744 -6.264 11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.068 -5.090 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.712 -3.262 11.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.290 -4.476 12.937 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.439 -4.334 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.955 -3.680 13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.628 -5.915 14.191 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.262 -6.602 12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.471 -6.989 14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.933 -5.987 12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.287 -5.321 14.446 1.00 0.00 H new ATOM 626 N GLU A 43 -8.592 -4.769 12.321 1.00 0.00 N ATOM 627 CA GLU A 43 -9.610 -5.140 13.297 1.00 0.00 C ATOM 628 C GLU A 43 -10.959 -5.361 12.618 1.00 0.00 C ATOM 629 O GLU A 43 -11.544 -6.439 12.714 1.00 0.00 O ATOM 630 CB GLU A 43 -9.738 -4.058 14.370 1.00 0.00 C ATOM 631 CG GLU A 43 -8.437 -3.768 15.101 1.00 0.00 C ATOM 632 CD GLU A 43 -8.661 -3.143 16.464 1.00 0.00 C ATOM 633 OE1 GLU A 43 -9.503 -3.665 17.224 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.994 -2.133 16.771 1.00 0.00 O ATOM 0 H GLU A 43 -8.141 -3.872 12.502 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.302 -6.073 13.768 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.097 -3.139 13.906 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.492 -4.365 15.095 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.876 -4.695 15.218 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.825 -3.100 14.495 1.00 0.00 H new ATOM 641 N GLU A 44 -11.446 -4.331 11.933 1.00 0.00 N ATOM 642 CA GLU A 44 -12.726 -4.412 11.240 1.00 0.00 C ATOM 643 C GLU A 44 -12.773 -5.632 10.325 1.00 0.00 C ATOM 644 O GLU A 44 -13.795 -6.312 10.230 1.00 0.00 O ATOM 645 CB GLU A 44 -12.972 -3.140 10.426 1.00 0.00 C ATOM 646 CG GLU A 44 -13.675 -2.043 11.207 1.00 0.00 C ATOM 647 CD GLU A 44 -14.857 -2.561 12.005 1.00 0.00 C ATOM 648 OE1 GLU A 44 -15.567 -3.456 11.501 1.00 0.00 O ATOM 649 OE2 GLU A 44 -15.070 -2.070 13.133 1.00 0.00 O ATOM 0 H GLU A 44 -10.974 -3.431 11.843 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.511 -4.512 11.990 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.017 -2.761 10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.569 -3.390 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.963 -1.571 11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.017 -1.272 10.516 1.00 0.00 H new ATOM 656 N PHE A 45 -11.660 -5.903 9.653 1.00 0.00 N ATOM 657 CA PHE A 45 -11.573 -7.040 8.744 1.00 0.00 C ATOM 658 C PHE A 45 -10.272 -7.808 8.956 1.00 0.00 C ATOM 659 O PHE A 45 -9.230 -7.485 8.384 1.00 0.00 O ATOM 660 CB PHE A 45 -11.669 -6.568 7.291 1.00 0.00 C ATOM 661 CG PHE A 45 -12.753 -5.554 7.061 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.523 -4.208 7.300 1.00 0.00 C ATOM 663 CD2 PHE A 45 -14.001 -5.946 6.607 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.518 -3.273 7.088 1.00 0.00 C ATOM 665 CE2 PHE A 45 -15.000 -5.015 6.394 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.759 -3.677 6.636 1.00 0.00 C ATOM 0 H PHE A 45 -10.805 -5.351 9.720 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.408 -7.708 8.958 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.712 -6.139 6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.847 -7.430 6.648 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.555 -3.887 7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.196 -6.991 6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.325 -2.227 7.276 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.969 -5.334 6.038 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.539 -2.948 6.472 1.00 0.00 H new ATOM 676 N PRO A 46 -10.331 -8.850 9.798 1.00 0.00 N ATOM 677 CA PRO A 46 -9.167 -9.687 10.105 1.00 0.00 C ATOM 678 C PRO A 46 -8.739 -10.544 8.919 1.00 0.00 C ATOM 679 O PRO A 46 -7.550 -10.657 8.619 1.00 0.00 O ATOM 680 CB PRO A 46 -9.659 -10.571 11.254 1.00 0.00 C ATOM 681 CG PRO A 46 -11.137 -10.626 11.083 1.00 0.00 C ATOM 682 CD PRO A 46 -11.539 -9.293 10.514 1.00 0.00 C ATOM 0 HA PRO A 46 -8.290 -9.089 10.354 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.217 -11.566 11.205 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.388 -10.149 12.222 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.422 -11.438 10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.633 -10.809 12.036 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.393 -9.383 9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.822 -8.590 11.298 1.00 0.00 H new ATOM 690 N ASP A 47 -9.714 -11.146 8.248 1.00 0.00 N ATOM 691 CA ASP A 47 -9.439 -11.992 7.093 1.00 0.00 C ATOM 692 C ASP A 47 -9.037 -11.150 5.886 1.00 0.00 C ATOM 693 O ASP A 47 -9.842 -10.386 5.354 1.00 0.00 O ATOM 694 CB ASP A 47 -10.664 -12.842 6.752 1.00 0.00 C ATOM 695 CG ASP A 47 -11.276 -13.492 7.977 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.999 -12.796 8.720 1.00 0.00 O ATOM 697 OD2 ASP A 47 -11.033 -14.698 8.192 1.00 0.00 O ATOM 0 H ASP A 47 -10.703 -11.064 8.484 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.609 -12.651 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.412 -12.217 6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.379 -13.615 6.038 1.00 0.00 H new ATOM 702 N TRP A 48 -7.787 -11.294 5.460 1.00 0.00 N ATOM 703 CA TRP A 48 -7.278 -10.546 4.316 1.00 0.00 C ATOM 704 C TRP A 48 -8.274 -10.573 3.161 1.00 0.00 C ATOM 705 O TRP A 48 -8.748 -9.529 2.712 1.00 0.00 O ATOM 706 CB TRP A 48 -5.935 -11.120 3.861 1.00 0.00 C ATOM 707 CG TRP A 48 -5.429 -10.510 2.590 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.081 -11.170 1.446 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.211 -9.118 2.334 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.660 -10.272 0.495 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.731 -9.006 1.015 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.376 -7.955 3.091 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.415 -7.779 0.439 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -5.062 -6.737 2.518 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.587 -6.656 1.203 1.00 0.00 C ATOM 0 H TRP A 48 -7.107 -11.922 5.890 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.136 -9.510 4.625 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.197 -10.967 4.648 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.036 -12.197 3.724 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.130 -12.240 1.309 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.345 -10.509 -0.446 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.742 -8.007 4.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.047 -7.715 -0.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.185 -5.832 3.094 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.352 -5.689 0.784 1.00 0.00 H new ATOM 726 N THR A 49 -8.588 -11.773 2.684 1.00 0.00 N ATOM 727 CA THR A 49 -9.526 -11.936 1.581 1.00 0.00 C ATOM 728 C THR A 49 -10.719 -10.999 1.731 1.00 0.00 C ATOM 729 O THR A 49 -11.349 -10.614 0.745 1.00 0.00 O ATOM 730 CB THR A 49 -10.036 -13.386 1.486 1.00 0.00 C ATOM 731 OG1 THR A 49 -9.033 -14.290 1.963 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.402 -13.738 0.052 1.00 0.00 C ATOM 0 H THR A 49 -8.206 -12.647 3.045 1.00 0.00 H new ATOM 0 HA THR A 49 -8.985 -11.689 0.668 1.00 0.00 H new ATOM 0 HB THR A 49 -10.929 -13.475 2.105 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.365 -15.210 1.901 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.760 -14.767 0.010 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.186 -13.067 -0.299 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.523 -13.633 -0.584 1.00 0.00 H new ATOM 740 N THR A 50 -11.026 -10.633 2.972 1.00 0.00 N ATOM 741 CA THR A 50 -12.144 -9.741 3.252 1.00 0.00 C ATOM 742 C THR A 50 -11.671 -8.301 3.414 1.00 0.00 C ATOM 743 O THR A 50 -12.355 -7.363 3.004 1.00 0.00 O ATOM 744 CB THR A 50 -12.898 -10.168 4.526 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.368 -11.514 4.389 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.073 -9.240 4.795 1.00 0.00 C ATOM 0 H THR A 50 -10.515 -10.941 3.799 1.00 0.00 H new ATOM 0 HA THR A 50 -12.820 -9.805 2.400 1.00 0.00 H new ATOM 0 HB THR A 50 -12.208 -10.109 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.845 -11.779 5.203 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.590 -9.561 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.709 -8.221 4.927 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.763 -9.272 3.952 1.00 0.00 H new ATOM 754 N ARG A 51 -10.497 -8.132 4.013 1.00 0.00 N ATOM 755 CA ARG A 51 -9.933 -6.805 4.230 1.00 0.00 C ATOM 756 C ARG A 51 -9.538 -6.160 2.904 1.00 0.00 C ATOM 757 O ARG A 51 -9.929 -5.030 2.611 1.00 0.00 O ATOM 758 CB ARG A 51 -8.715 -6.889 5.152 1.00 0.00 C ATOM 759 CG ARG A 51 -8.032 -5.551 5.382 1.00 0.00 C ATOM 760 CD ARG A 51 -6.968 -5.648 6.464 1.00 0.00 C ATOM 761 NE ARG A 51 -5.677 -6.067 5.926 1.00 0.00 N ATOM 762 CZ ARG A 51 -4.685 -6.535 6.676 1.00 0.00 C ATOM 763 NH1 ARG A 51 -4.836 -6.642 7.989 1.00 0.00 N ATOM 764 NH2 ARG A 51 -3.540 -6.897 6.112 1.00 0.00 N ATOM 0 H ARG A 51 -9.918 -8.898 4.357 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.695 -6.186 4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.025 -7.299 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.994 -7.587 4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.577 -5.209 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.775 -4.806 5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.860 -4.680 6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.290 -6.357 7.227 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.528 -5.997 4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.715 -6.365 8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.073 -7.002 8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.421 -6.816 5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.779 -7.256 6.688 1.00 0.00 H new ATOM 778 N VAL A 52 -8.760 -6.886 2.108 1.00 0.00 N ATOM 779 CA VAL A 52 -8.312 -6.385 0.814 1.00 0.00 C ATOM 780 C VAL A 52 -9.460 -5.737 0.048 1.00 0.00 C ATOM 781 O VAL A 52 -9.303 -4.667 -0.540 1.00 0.00 O ATOM 782 CB VAL A 52 -7.707 -7.511 -0.045 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.779 -8.514 -0.444 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.021 -6.934 -1.274 1.00 0.00 C ATOM 0 H VAL A 52 -8.427 -7.823 2.336 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.544 -5.637 1.013 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.958 -8.034 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.332 -9.302 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.220 -8.951 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.554 -8.008 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.599 -7.744 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.748 -6.385 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.223 -6.259 -0.962 1.00 0.00 H new ATOM 794 N LYS A 53 -10.615 -6.393 0.058 1.00 0.00 N ATOM 795 CA LYS A 53 -11.792 -5.882 -0.634 1.00 0.00 C ATOM 796 C LYS A 53 -12.184 -4.508 -0.099 1.00 0.00 C ATOM 797 O LYS A 53 -12.601 -3.634 -0.857 1.00 0.00 O ATOM 798 CB LYS A 53 -12.963 -6.855 -0.479 1.00 0.00 C ATOM 799 CG LYS A 53 -12.716 -8.211 -1.116 1.00 0.00 C ATOM 800 CD LYS A 53 -13.731 -9.240 -0.648 1.00 0.00 C ATOM 801 CE LYS A 53 -13.851 -10.393 -1.633 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.666 -10.023 -2.823 1.00 0.00 N ATOM 0 H LYS A 53 -10.761 -7.281 0.538 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.547 -5.784 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.171 -6.994 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.854 -6.411 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.764 -8.118 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.711 -8.552 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.437 -9.624 0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.703 -8.763 -0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.856 -10.700 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.304 -11.250 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.795 -10.859 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.595 -9.673 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.178 -9.278 -3.360 1.00 0.00 H new ATOM 816 N GLN A 54 -12.045 -4.327 1.210 1.00 0.00 N ATOM 817 CA GLN A 54 -12.385 -3.059 1.845 1.00 0.00 C ATOM 818 C GLN A 54 -11.458 -1.946 1.368 1.00 0.00 C ATOM 819 O GLN A 54 -11.859 -0.785 1.283 1.00 0.00 O ATOM 820 CB GLN A 54 -12.303 -3.188 3.367 1.00 0.00 C ATOM 821 CG GLN A 54 -13.307 -4.170 3.949 1.00 0.00 C ATOM 822 CD GLN A 54 -14.742 -3.715 3.765 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.066 -2.546 4.306 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.550 -4.406 3.145 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.700 -5.041 1.851 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.406 -2.803 1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.297 -3.503 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.464 -2.208 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.175 -5.143 3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.105 -4.303 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.258 -5.298 2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.512 -4.087 3.030 1.00 0.00 H new ATOM 833 N ILE A 55 -10.218 -2.308 1.057 1.00 0.00 N ATOM 834 CA ILE A 55 -9.235 -1.339 0.587 1.00 0.00 C ATOM 835 C ILE A 55 -9.617 -0.788 -0.782 1.00 0.00 C ATOM 836 O ILE A 55 -9.395 0.387 -1.074 1.00 0.00 O ATOM 837 CB ILE A 55 -7.828 -1.961 0.503 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.344 -2.371 1.895 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.854 -0.982 -0.135 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.113 -3.250 1.872 1.00 0.00 C ATOM 0 H ILE A 55 -9.870 -3.265 1.122 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.222 -0.526 1.312 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.878 -2.853 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.129 -1.474 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.147 -2.898 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.864 -1.436 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.193 -0.734 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.805 -0.074 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.827 -3.502 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.329 -4.165 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.295 -2.718 1.386 1.00 0.00 H new ATOM 852 N ALA A 56 -10.195 -1.644 -1.618 1.00 0.00 N ATOM 853 CA ALA A 56 -10.613 -1.242 -2.956 1.00 0.00 C ATOM 854 C ALA A 56 -11.832 -0.328 -2.899 1.00 0.00 C ATOM 855 O ALA A 56 -11.799 0.800 -3.391 1.00 0.00 O ATOM 856 CB ALA A 56 -10.909 -2.468 -3.807 1.00 0.00 C ATOM 0 H ALA A 56 -10.385 -2.621 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.795 -0.685 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.220 -2.153 -4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.012 -3.083 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.707 -3.048 -3.344 1.00 0.00 H new ATOM 862 N LYS A 57 -12.908 -0.821 -2.295 1.00 0.00 N ATOM 863 CA LYS A 57 -14.139 -0.049 -2.173 1.00 0.00 C ATOM 864 C LYS A 57 -13.857 1.337 -1.603 1.00 0.00 C ATOM 865 O LYS A 57 -14.312 2.346 -2.143 1.00 0.00 O ATOM 866 CB LYS A 57 -15.140 -0.786 -1.280 1.00 0.00 C ATOM 867 CG LYS A 57 -14.897 -0.581 0.205 1.00 0.00 C ATOM 868 CD LYS A 57 -15.870 -1.389 1.047 1.00 0.00 C ATOM 869 CE LYS A 57 -17.142 -0.607 1.334 1.00 0.00 C ATOM 870 NZ LYS A 57 -18.163 -1.443 2.025 1.00 0.00 N ATOM 0 H LYS A 57 -12.952 -1.753 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.567 0.067 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.148 -0.450 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.096 -1.852 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.875 -0.870 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.996 0.477 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.120 -2.314 0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.394 -1.669 1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.904 0.260 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.555 -0.229 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.015 -0.874 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.409 -2.257 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.779 -1.783 2.930 1.00 0.00 H new ATOM 884 N LEU A 58 -13.103 1.380 -0.510 1.00 0.00 N ATOM 885 CA LEU A 58 -12.759 2.644 0.133 1.00 0.00 C ATOM 886 C LEU A 58 -11.921 3.516 -0.796 1.00 0.00 C ATOM 887 O LEU A 58 -12.095 4.734 -0.843 1.00 0.00 O ATOM 888 CB LEU A 58 -11.998 2.386 1.434 1.00 0.00 C ATOM 889 CG LEU A 58 -12.745 1.586 2.502 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.767 0.980 3.497 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.758 2.468 3.218 1.00 0.00 C ATOM 0 H LEU A 58 -12.718 0.555 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.685 3.172 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.075 1.859 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.713 3.347 1.862 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.282 0.774 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.317 0.415 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.080 0.315 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.202 1.776 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.280 1.882 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.242 3.301 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.478 2.854 2.497 1.00 0.00 H new ATOM 903 N TRP A 59 -11.015 2.886 -1.533 1.00 0.00 N ATOM 904 CA TRP A 59 -10.151 3.605 -2.463 1.00 0.00 C ATOM 905 C TRP A 59 -10.968 4.251 -3.576 1.00 0.00 C ATOM 906 O TRP A 59 -10.799 5.433 -3.877 1.00 0.00 O ATOM 907 CB TRP A 59 -9.111 2.657 -3.062 1.00 0.00 C ATOM 908 CG TRP A 59 -8.210 3.319 -4.060 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.206 3.130 -5.413 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.179 4.274 -3.784 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.236 3.910 -5.994 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.592 4.622 -5.016 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.697 4.871 -2.616 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.548 5.538 -5.111 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.661 5.780 -2.711 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.096 6.107 -3.951 1.00 0.00 C ATOM 0 H TRP A 59 -10.859 1.878 -1.505 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.639 4.392 -1.910 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.506 2.238 -2.258 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.623 1.823 -3.542 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.868 2.465 -5.947 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.029 3.952 -6.992 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.127 4.626 -1.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.110 5.791 -6.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.280 6.246 -1.814 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.288 6.822 -3.992 1.00 0.00 H new ATOM 927 N ARG A 60 -11.855 3.470 -4.184 1.00 0.00 N ATOM 928 CA ARG A 60 -12.698 3.967 -5.265 1.00 0.00 C ATOM 929 C ARG A 60 -13.596 5.099 -4.776 1.00 0.00 C ATOM 930 O ARG A 60 -13.851 6.061 -5.501 1.00 0.00 O ATOM 931 CB ARG A 60 -13.551 2.834 -5.837 1.00 0.00 C ATOM 932 CG ARG A 60 -12.736 1.708 -6.451 1.00 0.00 C ATOM 933 CD ARG A 60 -13.565 0.890 -7.429 1.00 0.00 C ATOM 934 NE ARG A 60 -13.668 1.536 -8.734 1.00 0.00 N ATOM 935 CZ ARG A 60 -14.370 1.040 -9.747 1.00 0.00 C ATOM 936 NH1 ARG A 60 -15.028 -0.102 -9.605 1.00 0.00 N ATOM 937 NH2 ARG A 60 -14.415 1.687 -10.905 1.00 0.00 N ATOM 0 H ARG A 60 -12.009 2.490 -3.946 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.049 4.355 -6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.178 2.427 -5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.220 3.242 -6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.869 2.123 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.357 1.059 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.117 -0.096 -7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.564 0.739 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.174 2.417 -8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.996 -0.602 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.566 -0.481 -10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.910 2.566 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.954 1.305 -11.682 1.00 0.00 H new ATOM 951 N LYS A 61 -14.075 4.977 -3.543 1.00 0.00 N ATOM 952 CA LYS A 61 -14.945 5.989 -2.956 1.00 0.00 C ATOM 953 C LYS A 61 -14.283 7.363 -2.992 1.00 0.00 C ATOM 954 O LYS A 61 -14.923 8.362 -3.320 1.00 0.00 O ATOM 955 CB LYS A 61 -15.294 5.617 -1.513 1.00 0.00 C ATOM 956 CG LYS A 61 -16.459 4.650 -1.399 1.00 0.00 C ATOM 957 CD LYS A 61 -16.604 4.116 0.017 1.00 0.00 C ATOM 958 CE LYS A 61 -17.493 5.015 0.863 1.00 0.00 C ATOM 959 NZ LYS A 61 -18.109 4.276 1.999 1.00 0.00 N ATOM 0 H LYS A 61 -13.875 4.186 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.861 6.031 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -14.418 5.175 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.531 6.526 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.380 5.152 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.312 3.819 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.025 3.111 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.620 4.036 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.905 5.848 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.278 5.441 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.707 4.924 2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -18.691 3.496 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.360 3.891 2.610 1.00 0.00 H new ATOM 973 N ALA A 62 -12.999 7.405 -2.653 1.00 0.00 N ATOM 974 CA ALA A 62 -12.250 8.656 -2.651 1.00 0.00 C ATOM 975 C ALA A 62 -12.147 9.237 -4.057 1.00 0.00 C ATOM 976 O ALA A 62 -12.168 8.503 -5.045 1.00 0.00 O ATOM 977 CB ALA A 62 -10.863 8.439 -2.064 1.00 0.00 C ATOM 0 H ALA A 62 -12.456 6.587 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.788 9.372 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.315 9.381 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.954 8.077 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.326 7.703 -2.663 1.00 0.00 H new ATOM 983 N SER A 63 -12.037 10.559 -4.139 1.00 0.00 N ATOM 984 CA SER A 63 -11.935 11.239 -5.425 1.00 0.00 C ATOM 985 C SER A 63 -10.477 11.375 -5.854 1.00 0.00 C ATOM 986 O SER A 63 -9.571 11.377 -5.021 1.00 0.00 O ATOM 987 CB SER A 63 -12.586 12.621 -5.348 1.00 0.00 C ATOM 988 OG SER A 63 -12.787 13.163 -6.642 1.00 0.00 O ATOM 0 H SER A 63 -12.016 11.180 -3.330 1.00 0.00 H new ATOM 0 HA SER A 63 -12.460 10.638 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.541 12.548 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.956 13.291 -4.763 1.00 0.00 H new ATOM 0 HG SER A 63 -13.345 13.966 -6.577 1.00 0.00 H new ATOM 994 N SER A 64 -10.260 11.487 -7.161 1.00 0.00 N ATOM 995 CA SER A 64 -8.912 11.619 -7.702 1.00 0.00 C ATOM 996 C SER A 64 -8.117 12.669 -6.932 1.00 0.00 C ATOM 997 O SER A 64 -6.977 12.431 -6.536 1.00 0.00 O ATOM 998 CB SER A 64 -8.970 11.994 -9.185 1.00 0.00 C ATOM 999 OG SER A 64 -9.959 11.239 -9.863 1.00 0.00 O ATOM 0 H SER A 64 -10.999 11.489 -7.864 1.00 0.00 H new ATOM 0 HA SER A 64 -8.409 10.658 -7.596 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.187 13.057 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.997 11.822 -9.645 1.00 0.00 H new ATOM 0 HG SER A 64 -9.978 11.498 -10.808 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.729 13.830 -6.723 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.079 14.917 -6.000 1.00 0.00 C ATOM 1007 C GLN A 65 -7.643 14.462 -4.611 1.00 0.00 C ATOM 1008 O GLN A 65 -6.711 15.019 -4.030 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.021 16.116 -5.885 1.00 0.00 C ATOM 1010 CG GLN A 65 -10.291 15.820 -5.104 1.00 0.00 C ATOM 1011 CD GLN A 65 -11.425 16.762 -5.456 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -11.618 17.790 -4.805 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -12.183 16.417 -6.490 1.00 0.00 N ATOM 0 H GLN A 65 -9.674 14.042 -7.044 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.192 15.214 -6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.492 16.938 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.290 16.453 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.602 14.794 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.082 15.892 -4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.987 15.556 -7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.961 17.013 -6.773 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.322 13.448 -4.085 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.005 12.921 -2.763 1.00 0.00 C ATOM 1024 C GLU A 66 -6.842 11.935 -2.836 1.00 0.00 C ATOM 1025 O GLU A 66 -5.989 11.899 -1.949 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.230 12.237 -2.155 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.014 11.755 -0.730 1.00 0.00 C ATOM 1028 CD GLU A 66 -10.316 11.493 0.001 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -11.334 11.232 -0.673 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -10.316 11.548 1.249 1.00 0.00 O ATOM 0 H GLU A 66 -9.095 12.975 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.712 13.756 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.069 12.932 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.508 11.387 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.420 10.841 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.438 12.500 -0.182 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.817 11.136 -3.898 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.761 10.149 -4.086 1.00 0.00 C ATOM 1039 C ARG A 67 -4.492 10.805 -4.623 1.00 0.00 C ATOM 1040 O ARG A 67 -3.411 10.219 -4.575 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.225 9.051 -5.045 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.661 8.608 -4.815 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.281 8.047 -6.085 1.00 0.00 C ATOM 1044 NE ARG A 67 -9.615 7.502 -5.848 1.00 0.00 N ATOM 1045 CZ ARG A 67 -10.401 7.036 -6.813 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -9.988 7.048 -8.072 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -11.602 6.557 -6.518 1.00 0.00 N ATOM 0 H ARG A 67 -7.516 11.153 -4.641 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.537 9.705 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.124 9.409 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.567 8.188 -4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.688 7.852 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.252 9.454 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.339 8.833 -6.838 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.637 7.266 -6.489 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.962 7.478 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.065 7.415 -8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.593 6.690 -8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.923 6.546 -5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.205 6.200 -7.259 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.633 12.023 -5.134 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.499 12.759 -5.678 1.00 0.00 C ATOM 1063 C ALA A 68 -2.229 12.480 -4.880 1.00 0.00 C ATOM 1064 O ALA A 68 -1.225 12.006 -5.411 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.796 14.251 -5.695 1.00 0.00 C ATOM 0 H ALA A 68 -5.522 12.521 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.336 12.421 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.940 14.788 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.673 14.440 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.988 14.595 -4.679 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.272 12.782 -3.574 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.133 12.571 -2.675 1.00 0.00 C ATOM 1073 C PRO A 69 -0.857 11.093 -2.425 1.00 0.00 C ATOM 1074 O PRO A 69 0.272 10.628 -2.580 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.572 13.260 -1.380 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.061 13.233 -1.422 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.436 13.350 -2.874 1.00 0.00 C ATOM 0 HA PRO A 69 -0.206 12.966 -3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.191 12.735 -0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.196 14.282 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.447 12.309 -0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.483 14.054 -0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.349 12.798 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.611 14.387 -3.161 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.895 10.359 -2.039 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.763 8.933 -1.766 1.00 0.00 C ATOM 1087 C TYR A 70 -1.266 8.186 -3.000 1.00 0.00 C ATOM 1088 O TYR A 70 -0.808 7.047 -2.908 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.104 8.353 -1.311 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.679 9.042 -0.094 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.098 8.883 1.158 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.804 9.851 -0.196 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.621 9.510 2.273 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.333 10.483 0.913 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.738 10.309 2.145 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.262 10.935 3.252 1.00 0.00 O ATOM 0 H TYR A 70 -2.837 10.728 -1.908 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.031 8.808 -0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.819 8.425 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.976 7.293 -1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.223 8.259 1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.273 9.988 -1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.158 9.375 3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.207 11.110 0.816 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.047 11.460 2.990 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.361 8.836 -4.156 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.919 8.235 -5.409 1.00 0.00 C ATOM 1108 C VAL A 71 0.579 8.430 -5.614 1.00 0.00 C ATOM 1109 O VAL A 71 1.271 7.532 -6.093 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.673 8.832 -6.613 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.080 8.324 -7.918 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.156 8.503 -6.528 1.00 0.00 C ATOM 0 H VAL A 71 -1.740 9.778 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.138 7.169 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.563 9.916 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.625 8.756 -8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.031 8.614 -7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.159 7.237 -7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.674 8.932 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.289 7.421 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.569 8.920 -5.609 1.00 0.00 H new ATOM 1122 N GLN A 72 1.072 9.609 -5.248 1.00 0.00 N ATOM 1123 CA GLN A 72 2.489 9.921 -5.393 1.00 0.00 C ATOM 1124 C GLN A 72 3.297 9.328 -4.243 1.00 0.00 C ATOM 1125 O GLN A 72 4.336 8.704 -4.458 1.00 0.00 O ATOM 1126 CB GLN A 72 2.696 11.436 -5.450 1.00 0.00 C ATOM 1127 CG GLN A 72 4.133 11.863 -5.201 1.00 0.00 C ATOM 1128 CD GLN A 72 5.045 11.557 -6.373 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.385 12.444 -7.157 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.445 10.298 -6.499 1.00 0.00 N ATOM 0 H GLN A 72 0.512 10.363 -4.850 1.00 0.00 H new ATOM 0 HA GLN A 72 2.840 9.478 -6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.382 11.801 -6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.051 11.911 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.159 12.933 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.509 11.358 -4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.138 9.596 -5.826 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.059 10.033 -7.269 1.00 0.00 H new ATOM 1139 N LYS A 73 2.814 9.529 -3.022 1.00 0.00 N ATOM 1140 CA LYS A 73 3.490 9.014 -1.837 1.00 0.00 C ATOM 1141 C LYS A 73 3.865 7.547 -2.019 1.00 0.00 C ATOM 1142 O LYS A 73 4.999 7.149 -1.753 1.00 0.00 O ATOM 1143 CB LYS A 73 2.596 9.174 -0.605 1.00 0.00 C ATOM 1144 CG LYS A 73 3.340 9.016 0.710 1.00 0.00 C ATOM 1145 CD LYS A 73 2.566 9.630 1.865 1.00 0.00 C ATOM 1146 CE LYS A 73 2.969 9.013 3.196 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.267 9.553 3.687 1.00 0.00 N ATOM 0 H LYS A 73 1.956 10.045 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 73 4.405 9.589 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.127 10.158 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.794 8.437 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.512 7.958 0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.319 9.489 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.743 10.705 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.497 9.487 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.192 9.206 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.044 7.931 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.507 9.108 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.014 9.347 2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.189 10.582 3.816 1.00 0.00 H new ATOM 1161 N ALA A 74 2.906 6.748 -2.475 1.00 0.00 N ATOM 1162 CA ALA A 74 3.137 5.325 -2.696 1.00 0.00 C ATOM 1163 C ALA A 74 4.379 5.098 -3.551 1.00 0.00 C ATOM 1164 O ALA A 74 5.190 4.217 -3.262 1.00 0.00 O ATOM 1165 CB ALA A 74 1.920 4.688 -3.349 1.00 0.00 C ATOM 0 H ALA A 74 1.962 7.062 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 74 3.303 4.854 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.107 3.626 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.053 4.811 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.727 5.170 -4.307 1.00 0.00 H new ATOM 1171 N ARG A 75 4.522 5.896 -4.603 1.00 0.00 N ATOM 1172 CA ARG A 75 5.665 5.780 -5.501 1.00 0.00 C ATOM 1173 C ARG A 75 6.951 6.210 -4.803 1.00 0.00 C ATOM 1174 O ARG A 75 7.976 5.533 -4.895 1.00 0.00 O ATOM 1175 CB ARG A 75 5.444 6.628 -6.755 1.00 0.00 C ATOM 1176 CG ARG A 75 4.223 6.217 -7.562 1.00 0.00 C ATOM 1177 CD ARG A 75 3.735 7.351 -8.450 1.00 0.00 C ATOM 1178 NE ARG A 75 4.629 7.585 -9.580 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.635 8.706 -10.293 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.798 9.690 -9.994 1.00 0.00 N ATOM 1181 NH2 ARG A 75 5.479 8.844 -11.308 1.00 0.00 N ATOM 0 H ARG A 75 3.861 6.630 -4.855 1.00 0.00 H new ATOM 0 HA ARG A 75 5.762 4.734 -5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.341 7.673 -6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.328 6.560 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.467 5.351 -8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.424 5.913 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.737 7.118 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.651 8.263 -7.859 1.00 0.00 H new ATOM 0 HE ARG A 75 5.285 6.847 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.148 9.587 -9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.805 10.550 -10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.124 8.089 -11.541 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.483 9.705 -11.855 1.00 0.00 H new ATOM 1195 N ASP A 76 6.890 7.339 -4.105 1.00 0.00 N ATOM 1196 CA ASP A 76 8.050 7.859 -3.390 1.00 0.00 C ATOM 1197 C ASP A 76 8.469 6.911 -2.271 1.00 0.00 C ATOM 1198 O ASP A 76 9.648 6.822 -1.929 1.00 0.00 O ATOM 1199 CB ASP A 76 7.742 9.243 -2.815 1.00 0.00 C ATOM 1200 CG ASP A 76 8.982 10.106 -2.688 1.00 0.00 C ATOM 1201 OD1 ASP A 76 10.002 9.608 -2.167 1.00 0.00 O ATOM 1202 OD2 ASP A 76 8.933 11.280 -3.111 1.00 0.00 O ATOM 0 H ASP A 76 6.050 7.911 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 76 8.875 7.943 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.017 9.746 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.279 9.131 -1.835 1.00 0.00 H new ATOM 1207 N ASN A 77 7.496 6.206 -1.705 1.00 0.00 N ATOM 1208 CA ASN A 77 7.764 5.265 -0.623 1.00 0.00 C ATOM 1209 C ASN A 77 8.702 4.155 -1.087 1.00 0.00 C ATOM 1210 O ASN A 77 9.478 3.614 -0.299 1.00 0.00 O ATOM 1211 CB ASN A 77 6.456 4.661 -0.109 1.00 0.00 C ATOM 1212 CG ASN A 77 5.848 5.472 1.019 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.553 6.175 1.743 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.533 5.376 1.174 1.00 0.00 N ATOM 0 H ASN A 77 6.515 6.268 -1.977 1.00 0.00 H new ATOM 0 HA ASN A 77 8.248 5.810 0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.742 4.594 -0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.640 3.644 0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.068 5.897 1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.988 4.781 0.550 1.00 0.00 H new ATOM 1221 N ARG A 78 8.626 3.822 -2.371 1.00 0.00 N ATOM 1222 CA ARG A 78 9.468 2.777 -2.940 1.00 0.00 C ATOM 1223 C ARG A 78 10.931 3.209 -2.963 1.00 0.00 C ATOM 1224 O ARG A 78 11.834 2.384 -2.826 1.00 0.00 O ATOM 1225 CB ARG A 78 9.004 2.434 -4.358 1.00 0.00 C ATOM 1226 CG ARG A 78 7.649 1.748 -4.406 1.00 0.00 C ATOM 1227 CD ARG A 78 7.266 1.371 -5.829 1.00 0.00 C ATOM 1228 NE ARG A 78 7.138 2.544 -6.690 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.085 2.480 -8.016 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.148 1.306 -8.629 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.968 3.592 -8.730 1.00 0.00 N ATOM 0 H ARG A 78 7.990 4.261 -3.037 1.00 0.00 H new ATOM 0 HA ARG A 78 9.379 1.891 -2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.959 3.349 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.746 1.788 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.671 0.853 -3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.890 2.409 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.019 0.699 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.323 0.825 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 78 7.086 3.462 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.237 0.449 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.107 1.259 -9.647 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.919 4.496 -8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.927 3.543 -9.748 1.00 0.00 H new ATOM 1245 N ALA A 79 11.157 4.507 -3.137 1.00 0.00 N ATOM 1246 CA ALA A 79 12.509 5.048 -3.175 1.00 0.00 C ATOM 1247 C ALA A 79 13.148 5.030 -1.791 1.00 0.00 C ATOM 1248 O ALA A 79 14.275 4.565 -1.623 1.00 0.00 O ATOM 1249 CB ALA A 79 12.495 6.464 -3.733 1.00 0.00 C ATOM 0 H ALA A 79 10.421 5.203 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 79 13.108 4.416 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.512 6.856 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.088 6.453 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.875 7.099 -3.099 1.00 0.00 H new ATOM 1255 N ALA A 80 12.421 5.540 -0.802 1.00 0.00 N ATOM 1256 CA ALA A 80 12.916 5.580 0.568 1.00 0.00 C ATOM 1257 C ALA A 80 13.645 4.290 0.927 1.00 0.00 C ATOM 1258 O ALA A 80 14.685 4.315 1.587 1.00 0.00 O ATOM 1259 CB ALA A 80 11.769 5.828 1.537 1.00 0.00 C ATOM 0 H ALA A 80 11.487 5.931 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 80 13.628 6.402 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.154 5.855 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.294 6.781 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.037 5.026 1.447 1.00 0.00 H new