USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 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 54 GLN :FLIP amide:sc= -11! C(o=-14!,f=-11!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= -0.166 F(o=-0.87,f=-0.17) USER MOD Set 2.2: 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 -161:sc= -0.0572 (180deg=-0.481) USER MOD Single : A 27 THR OG1 : rot -101:sc= 0.853 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 120:sc= -0.0777 USER MOD Single : A 35 ASN :FLIP amide:sc= -6.56! C(o=-7.6!,f=-6.6!) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.414 F(o=-0.92,f=-0.41) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0232) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 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 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 65 GLN : amide:sc= -0.0601 X(o=-0.06,f=-0.061) USER MOD Single : A 72 GLN : amide:sc= 0.0162 X(o=0.016,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.787 K(o=0.79,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 -0.114 -6.445 -2.099 1.00 0.00 N ATOM 198 CA TRP A 16 -0.679 -5.514 -1.128 1.00 0.00 C ATOM 199 C TRP A 16 -0.410 -5.985 0.297 1.00 0.00 C ATOM 200 O TRP A 16 0.165 -5.254 1.102 1.00 0.00 O ATOM 201 CB TRP A 16 -2.185 -5.363 -1.353 1.00 0.00 C ATOM 202 CG TRP A 16 -2.526 -4.528 -2.550 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.698 -4.205 -3.587 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.785 -3.908 -2.832 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.367 -3.422 -4.496 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.649 -3.227 -4.057 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.015 -3.865 -2.170 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.696 -2.510 -4.630 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.054 -3.153 -2.740 1.00 0.00 C ATOM 210 CH2 TRP A 16 -5.889 -2.485 -3.961 1.00 0.00 C ATOM 0 HA TRP A 16 -0.199 -4.545 -1.267 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.628 -6.352 -1.470 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.634 -4.915 -0.467 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.669 -4.519 -3.679 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -1.972 -3.047 -5.358 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.151 -4.379 -1.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.571 -1.992 -5.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.008 -3.111 -2.236 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.720 -1.939 -4.382 1.00 0.00 H new ATOM 221 N GLU A 17 -0.829 -7.210 0.600 1.00 0.00 N ATOM 222 CA GLU A 17 -0.632 -7.776 1.929 1.00 0.00 C ATOM 223 C GLU A 17 0.713 -7.349 2.509 1.00 0.00 C ATOM 224 O GLU A 17 0.826 -7.062 3.701 1.00 0.00 O ATOM 225 CB GLU A 17 -0.715 -9.303 1.875 1.00 0.00 C ATOM 226 CG GLU A 17 -0.539 -9.971 3.228 1.00 0.00 C ATOM 227 CD GLU A 17 -1.740 -9.779 4.134 1.00 0.00 C ATOM 228 OE1 GLU A 17 -2.099 -8.613 4.403 1.00 0.00 O ATOM 229 OE2 GLU A 17 -2.320 -10.793 4.575 1.00 0.00 O ATOM 0 H GLU A 17 -1.306 -7.828 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.423 -7.399 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.681 -9.591 1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.049 -9.676 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.365 -11.037 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.348 -9.567 3.716 1.00 0.00 H new ATOM 236 N LYS A 18 1.732 -7.310 1.657 1.00 0.00 N ATOM 237 CA LYS A 18 3.071 -6.918 2.082 1.00 0.00 C ATOM 238 C LYS A 18 3.089 -5.467 2.553 1.00 0.00 C ATOM 239 O LYS A 18 3.560 -5.168 3.650 1.00 0.00 O ATOM 240 CB LYS A 18 4.067 -7.106 0.936 1.00 0.00 C ATOM 241 CG LYS A 18 4.236 -8.553 0.508 1.00 0.00 C ATOM 242 CD LYS A 18 4.994 -9.358 1.551 1.00 0.00 C ATOM 243 CE LYS A 18 6.498 -9.232 1.367 1.00 0.00 C ATOM 244 NZ LYS A 18 7.234 -10.340 2.038 1.00 0.00 N ATOM 0 H LYS A 18 1.656 -7.545 0.667 1.00 0.00 H new ATOM 0 HA LYS A 18 3.362 -7.556 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.737 -6.519 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.036 -6.710 1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.256 -9.001 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.769 -8.593 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.718 -9.015 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.705 -10.407 1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.735 -9.231 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.834 -8.277 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.256 -10.218 1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.028 -10.326 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.932 -11.251 1.636 1.00 0.00 H new ATOM 258 N GLU A 19 2.572 -4.572 1.718 1.00 0.00 N ATOM 259 CA GLU A 19 2.529 -3.153 2.051 1.00 0.00 C ATOM 260 C GLU A 19 1.653 -2.908 3.276 1.00 0.00 C ATOM 261 O GLU A 19 1.905 -1.992 4.058 1.00 0.00 O ATOM 262 CB GLU A 19 2.002 -2.343 0.864 1.00 0.00 C ATOM 263 CG GLU A 19 2.953 -2.313 -0.321 1.00 0.00 C ATOM 264 CD GLU A 19 4.406 -2.436 0.093 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.816 -3.547 0.492 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.133 -1.424 0.019 1.00 0.00 O ATOM 0 H GLU A 19 2.177 -4.804 0.807 1.00 0.00 H new ATOM 0 HA GLU A 19 3.544 -2.829 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.048 -2.762 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.808 -1.321 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.703 -3.126 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.813 -1.382 -0.870 1.00 0.00 H new ATOM 273 N GLU A 20 0.623 -3.733 3.435 1.00 0.00 N ATOM 274 CA GLU A 20 -0.291 -3.605 4.563 1.00 0.00 C ATOM 275 C GLU A 20 0.474 -3.587 5.884 1.00 0.00 C ATOM 276 O GLU A 20 0.016 -3.013 6.871 1.00 0.00 O ATOM 277 CB GLU A 20 -1.303 -4.753 4.563 1.00 0.00 C ATOM 278 CG GLU A 20 -2.576 -4.442 3.793 1.00 0.00 C ATOM 279 CD GLU A 20 -3.565 -3.631 4.607 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.121 -2.799 5.425 1.00 0.00 O ATOM 281 OE2 GLU A 20 -4.785 -3.828 4.425 1.00 0.00 O ATOM 0 H GLU A 20 0.401 -4.497 2.797 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.825 -2.660 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.835 -5.639 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.562 -4.998 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.323 -3.895 2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.046 -5.375 3.482 1.00 0.00 H new ATOM 288 N ALA A 21 1.642 -4.221 5.892 1.00 0.00 N ATOM 289 CA ALA A 21 2.471 -4.277 7.089 1.00 0.00 C ATOM 290 C ALA A 21 3.256 -2.983 7.275 1.00 0.00 C ATOM 291 O ALA A 21 3.514 -2.558 8.402 1.00 0.00 O ATOM 292 CB ALA A 21 3.419 -5.466 7.019 1.00 0.00 C ATOM 0 H ALA A 21 2.035 -4.703 5.083 1.00 0.00 H new ATOM 0 HA ALA A 21 1.814 -4.399 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.032 -5.496 7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.842 -6.387 6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.063 -5.367 6.145 1.00 0.00 H new ATOM 298 N LEU A 22 3.633 -2.361 6.164 1.00 0.00 N ATOM 299 CA LEU A 22 4.389 -1.114 6.204 1.00 0.00 C ATOM 300 C LEU A 22 3.495 0.052 6.615 1.00 0.00 C ATOM 301 O LEU A 22 3.981 1.123 6.977 1.00 0.00 O ATOM 302 CB LEU A 22 5.020 -0.832 4.840 1.00 0.00 C ATOM 303 CG LEU A 22 5.814 -1.981 4.217 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.905 -1.812 2.709 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.204 -2.063 4.831 1.00 0.00 C ATOM 0 H LEU A 22 3.428 -2.700 5.224 1.00 0.00 H new ATOM 0 HA LEU A 22 5.179 -1.221 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.228 -0.547 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.682 0.029 4.939 1.00 0.00 H new ATOM 0 HG LEU A 22 5.290 -2.914 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.474 -2.639 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.902 -1.804 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.405 -0.871 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.755 -2.886 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.736 -1.128 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.118 -2.233 5.904 1.00 0.00 H new ATOM 317 N GLY A 23 2.185 -0.164 6.557 1.00 0.00 N ATOM 318 CA GLY A 23 1.244 0.876 6.927 1.00 0.00 C ATOM 319 C GLY A 23 1.483 2.169 6.173 1.00 0.00 C ATOM 320 O GLY A 23 1.348 2.215 4.951 1.00 0.00 O ATOM 0 H GLY A 23 1.758 -1.042 6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.229 0.529 6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.318 1.065 7.998 1.00 0.00 H new ATOM 324 N GLU A 24 1.836 3.222 6.903 1.00 0.00 N ATOM 325 CA GLU A 24 2.092 4.522 6.294 1.00 0.00 C ATOM 326 C GLU A 24 3.219 4.432 5.270 1.00 0.00 C ATOM 327 O GLU A 24 3.380 5.314 4.428 1.00 0.00 O ATOM 328 CB GLU A 24 2.445 5.553 7.368 1.00 0.00 C ATOM 329 CG GLU A 24 1.284 5.899 8.285 1.00 0.00 C ATOM 330 CD GLU A 24 1.724 6.655 9.524 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.681 7.451 9.424 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.112 6.450 10.593 1.00 0.00 O ATOM 0 H GLU A 24 1.951 3.201 7.916 1.00 0.00 H new ATOM 0 HA GLU A 24 1.184 4.838 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.270 5.171 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.798 6.463 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.559 6.500 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.777 4.982 8.585 1.00 0.00 H new ATOM 339 N MET A 25 3.998 3.358 5.350 1.00 0.00 N ATOM 340 CA MET A 25 5.111 3.151 4.430 1.00 0.00 C ATOM 341 C MET A 25 4.647 2.428 3.170 1.00 0.00 C ATOM 342 O MET A 25 5.391 2.319 2.196 1.00 0.00 O ATOM 343 CB MET A 25 6.221 2.349 5.112 1.00 0.00 C ATOM 344 CG MET A 25 7.312 3.217 5.719 1.00 0.00 C ATOM 345 SD MET A 25 8.267 4.104 4.473 1.00 0.00 S ATOM 346 CE MET A 25 9.127 2.750 3.677 1.00 0.00 C ATOM 0 H MET A 25 3.879 2.618 6.042 1.00 0.00 H new ATOM 0 HA MET A 25 5.501 4.128 4.145 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.783 1.730 5.895 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.669 1.672 4.384 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.861 3.935 6.404 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.983 2.592 6.308 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.988 3.136 3.132 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.464 2.039 4.432 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.453 2.249 2.982 1.00 0.00 H new ATOM 356 N ALA A 26 3.412 1.936 3.195 1.00 0.00 N ATOM 357 CA ALA A 26 2.849 1.226 2.054 1.00 0.00 C ATOM 358 C ALA A 26 3.225 1.908 0.743 1.00 0.00 C ATOM 359 O ALA A 26 2.940 3.089 0.541 1.00 0.00 O ATOM 360 CB ALA A 26 1.337 1.130 2.186 1.00 0.00 C ATOM 0 H ALA A 26 2.783 2.017 3.994 1.00 0.00 H new ATOM 0 HA ALA A 26 3.266 0.219 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.930 0.597 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.085 0.591 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.911 2.132 2.227 1.00 0.00 H new ATOM 366 N THR A 27 3.868 1.158 -0.147 1.00 0.00 N ATOM 367 CA THR A 27 4.285 1.691 -1.437 1.00 0.00 C ATOM 368 C THR A 27 3.143 1.643 -2.446 1.00 0.00 C ATOM 369 O THR A 27 3.371 1.616 -3.656 1.00 0.00 O ATOM 370 CB THR A 27 5.488 0.914 -2.004 1.00 0.00 C ATOM 371 OG1 THR A 27 5.108 -0.437 -2.291 1.00 0.00 O ATOM 372 CG2 THR A 27 6.648 0.921 -1.020 1.00 0.00 C ATOM 0 H THR A 27 4.111 0.179 0.003 1.00 0.00 H new ATOM 0 HA THR A 27 4.577 2.728 -1.271 1.00 0.00 H new ATOM 0 HB THR A 27 5.808 1.404 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.420 -1.025 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.486 0.366 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.954 1.949 -0.826 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.336 0.453 -0.086 1.00 0.00 H new ATOM 380 N VAL A 28 1.913 1.633 -1.942 1.00 0.00 N ATOM 381 CA VAL A 28 0.735 1.591 -2.800 1.00 0.00 C ATOM 382 C VAL A 28 -0.204 2.754 -2.502 1.00 0.00 C ATOM 383 O VAL A 28 -0.176 3.324 -1.412 1.00 0.00 O ATOM 384 CB VAL A 28 -0.035 0.267 -2.630 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.733 -0.114 -3.927 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.903 -0.840 -2.175 1.00 0.00 C ATOM 0 H VAL A 28 1.707 1.653 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 28 1.089 1.668 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.796 0.405 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.272 -1.051 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.436 0.671 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.008 -0.235 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.342 -1.768 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.688 -0.980 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.352 -0.567 -1.220 1.00 0.00 H new ATOM 396 N ALA A 29 -1.035 3.101 -3.479 1.00 0.00 N ATOM 397 CA ALA A 29 -1.985 4.195 -3.321 1.00 0.00 C ATOM 398 C ALA A 29 -3.117 3.807 -2.376 1.00 0.00 C ATOM 399 O ALA A 29 -3.351 4.448 -1.351 1.00 0.00 O ATOM 400 CB ALA A 29 -2.543 4.609 -4.674 1.00 0.00 C ATOM 0 H ALA A 29 -1.070 2.640 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.456 5.042 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.251 5.427 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.728 4.936 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.051 3.761 -5.133 1.00 0.00 H new ATOM 406 N PRO A 30 -3.840 2.733 -2.726 1.00 0.00 N ATOM 407 CA PRO A 30 -4.960 2.235 -1.922 1.00 0.00 C ATOM 408 C PRO A 30 -4.500 1.618 -0.606 1.00 0.00 C ATOM 409 O PRO A 30 -4.999 1.969 0.464 1.00 0.00 O ATOM 410 CB PRO A 30 -5.595 1.170 -2.819 1.00 0.00 C ATOM 411 CG PRO A 30 -4.489 0.716 -3.709 1.00 0.00 C ATOM 412 CD PRO A 30 -3.618 1.920 -3.934 1.00 0.00 C ATOM 0 HA PRO A 30 -5.644 3.034 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.994 0.344 -2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.424 1.581 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.924 -0.094 -3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.879 0.335 -4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.570 1.642 -4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.902 2.458 -4.838 1.00 0.00 H new ATOM 420 N VAL A 31 -3.545 0.697 -0.691 1.00 0.00 N ATOM 421 CA VAL A 31 -3.017 0.033 0.494 1.00 0.00 C ATOM 422 C VAL A 31 -2.489 1.046 1.503 1.00 0.00 C ATOM 423 O VAL A 31 -2.329 0.737 2.685 1.00 0.00 O ATOM 424 CB VAL A 31 -1.887 -0.949 0.130 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.609 -1.897 1.287 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.241 -1.723 -1.131 1.00 0.00 C ATOM 0 H VAL A 31 -3.122 0.394 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.842 -0.522 0.940 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.980 -0.377 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.808 -2.583 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.309 -1.323 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.510 -2.465 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.432 -2.412 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.160 -2.286 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.385 -1.027 -1.957 1.00 0.00 H new ATOM 436 N LEU A 32 -2.219 2.258 1.030 1.00 0.00 N ATOM 437 CA LEU A 32 -1.709 3.319 1.892 1.00 0.00 C ATOM 438 C LEU A 32 -2.853 4.122 2.503 1.00 0.00 C ATOM 439 O LEU A 32 -2.945 4.261 3.722 1.00 0.00 O ATOM 440 CB LEU A 32 -0.786 4.246 1.099 1.00 0.00 C ATOM 441 CG LEU A 32 -0.418 5.567 1.777 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.348 5.310 3.066 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.397 6.441 0.835 1.00 0.00 C ATOM 0 H LEU A 32 -2.345 2.530 0.055 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.143 2.857 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.134 3.706 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.262 4.471 0.145 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.339 6.095 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.601 6.261 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.270 4.724 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.263 4.761 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.650 7.377 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.313 5.920 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.187 6.654 -0.061 1.00 0.00 H new ATOM 455 N TYR A 33 -3.723 4.646 1.647 1.00 0.00 N ATOM 456 CA TYR A 33 -4.861 5.435 2.102 1.00 0.00 C ATOM 457 C TYR A 33 -5.535 4.778 3.303 1.00 0.00 C ATOM 458 O TYR A 33 -5.696 5.396 4.356 1.00 0.00 O ATOM 459 CB TYR A 33 -5.874 5.610 0.969 1.00 0.00 C ATOM 460 CG TYR A 33 -7.207 6.157 1.427 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.190 5.313 1.929 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.483 7.517 1.357 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.410 5.808 2.348 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.700 8.020 1.775 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.660 7.162 2.269 1.00 0.00 C ATOM 466 OH TYR A 33 -10.874 7.659 2.687 1.00 0.00 O ATOM 0 H TYR A 33 -3.662 4.539 0.635 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.492 6.415 2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.455 6.280 0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.033 4.647 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.997 4.252 1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.734 8.192 0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.164 5.138 2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.899 9.080 1.715 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.889 8.631 2.566 1.00 0.00 H new ATOM 476 N THR A 34 -5.926 3.518 3.138 1.00 0.00 N ATOM 477 CA THR A 34 -6.582 2.775 4.206 1.00 0.00 C ATOM 478 C THR A 34 -5.675 2.647 5.424 1.00 0.00 C ATOM 479 O THR A 34 -6.114 2.825 6.559 1.00 0.00 O ATOM 480 CB THR A 34 -6.998 1.368 3.739 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.925 0.756 3.013 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.238 1.433 2.861 1.00 0.00 C ATOM 0 H THR A 34 -5.799 2.991 2.274 1.00 0.00 H new ATOM 0 HA THR A 34 -7.475 3.337 4.479 1.00 0.00 H new ATOM 0 HB THR A 34 -7.228 0.770 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.654 -0.070 3.465 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.512 0.427 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.061 1.872 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.031 2.046 1.984 1.00 0.00 H new ATOM 490 N ASN A 35 -4.406 2.336 5.180 1.00 0.00 N ATOM 491 CA ASN A 35 -3.435 2.184 6.258 1.00 0.00 C ATOM 492 C ASN A 35 -3.485 3.378 7.207 1.00 0.00 C ATOM 493 O ASN A 35 -3.277 3.234 8.413 1.00 0.00 O ATOM 494 CB ASN A 35 -2.025 2.032 5.686 1.00 0.00 C ATOM 495 CG ASN A 35 -1.680 0.588 5.375 1.00 0.00 C ATOM 496 OD1 ASN A 35 -0.651 0.388 4.560 1.00 0.00 O flip ATOM 497 ND2 ASN A 35 -2.331 -0.336 5.862 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.026 2.184 4.246 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.690 1.285 6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.938 2.627 4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.302 2.430 6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.114 -0.136 6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.087 -1.302 5.644 1.00 0.00 H new ATOM 504 N ILE A 36 -3.761 4.554 6.655 1.00 0.00 N ATOM 505 CA ILE A 36 -3.839 5.772 7.453 1.00 0.00 C ATOM 506 C ILE A 36 -5.265 6.026 7.930 1.00 0.00 C ATOM 507 O ILE A 36 -5.546 5.988 9.127 1.00 0.00 O ATOM 508 CB ILE A 36 -3.350 6.997 6.658 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.867 6.849 6.312 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.589 8.273 7.452 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.388 7.834 5.269 1.00 0.00 C ATOM 0 H ILE A 36 -3.934 4.690 5.659 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.190 5.626 8.317 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.916 7.058 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.276 6.977 7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.685 5.836 5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.238 9.130 6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.655 8.382 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.045 8.222 8.395 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.328 7.671 5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.953 7.692 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.537 8.851 5.633 1.00 0.00 H new ATOM 523 N ASN A 37 -6.163 6.283 6.984 1.00 0.00 N ATOM 524 CA ASN A 37 -7.561 6.542 7.308 1.00 0.00 C ATOM 525 C ASN A 37 -8.120 5.452 8.216 1.00 0.00 C ATOM 526 O ASN A 37 -8.758 5.739 9.229 1.00 0.00 O ATOM 527 CB ASN A 37 -8.394 6.632 6.027 1.00 0.00 C ATOM 528 CG ASN A 37 -8.283 7.989 5.359 1.00 0.00 C ATOM 529 OD1 ASN A 37 -7.312 8.130 4.464 1.00 0.00 O flip ATOM 530 ND2 ASN A 37 -9.061 8.899 5.644 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.947 6.317 5.988 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.616 7.493 7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.069 5.859 5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.439 6.430 6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.793 8.746 6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.974 9.806 5.186 1.00 0.00 H new ATOM 537 N PHE A 38 -7.876 4.199 7.847 1.00 0.00 N ATOM 538 CA PHE A 38 -8.355 3.064 8.628 1.00 0.00 C ATOM 539 C PHE A 38 -7.205 2.393 9.373 1.00 0.00 C ATOM 540 O PHE A 38 -6.577 1.455 8.881 1.00 0.00 O ATOM 541 CB PHE A 38 -9.051 2.049 7.718 1.00 0.00 C ATOM 542 CG PHE A 38 -10.284 2.588 7.052 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.188 3.352 5.900 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.540 2.330 7.578 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.322 3.848 5.285 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.677 2.823 6.967 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.568 3.585 5.819 1.00 0.00 C ATOM 0 H PHE A 38 -7.349 3.944 7.012 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.072 3.435 9.361 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.349 1.718 6.952 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.319 1.171 8.305 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.216 3.562 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.631 1.737 8.476 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.234 4.441 4.387 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.650 2.613 7.386 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.455 3.974 5.341 1.00 0.00 H new ATOM 557 N PRO A 39 -6.922 2.884 10.589 1.00 0.00 N ATOM 558 CA PRO A 39 -5.847 2.347 11.428 1.00 0.00 C ATOM 559 C PRO A 39 -6.166 0.953 11.958 1.00 0.00 C ATOM 560 O PRO A 39 -5.330 0.052 11.906 1.00 0.00 O ATOM 561 CB PRO A 39 -5.762 3.350 12.581 1.00 0.00 C ATOM 562 CG PRO A 39 -7.119 3.962 12.651 1.00 0.00 C ATOM 563 CD PRO A 39 -7.630 4.000 11.237 1.00 0.00 C ATOM 0 HA PRO A 39 -4.916 2.234 10.873 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.502 2.856 13.517 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.997 4.104 12.395 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.779 3.375 13.289 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.073 4.964 13.077 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.711 3.868 11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.407 4.952 10.755 1.00 0.00 H new ATOM 571 N ASN A 40 -7.382 0.783 12.467 1.00 0.00 N ATOM 572 CA ASN A 40 -7.812 -0.502 13.007 1.00 0.00 C ATOM 573 C ASN A 40 -8.362 -1.399 11.902 1.00 0.00 C ATOM 574 O ASN A 40 -8.952 -2.446 12.174 1.00 0.00 O ATOM 575 CB ASN A 40 -8.874 -0.296 14.088 1.00 0.00 C ATOM 576 CG ASN A 40 -9.847 0.814 13.738 1.00 0.00 C ATOM 577 OD1 ASN A 40 -9.598 2.007 14.268 1.00 0.00 O flip ATOM 578 ND2 ASN A 40 -10.809 0.602 13.001 1.00 0.00 N flip ATOM 0 H ASN A 40 -8.087 1.519 12.517 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.944 -0.991 13.450 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.424 -1.225 14.235 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.385 -0.062 15.034 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.961 -0.330 12.616 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.454 1.359 12.774 1.00 0.00 H new ATOM 585 N LEU A 41 -8.165 -0.983 10.656 1.00 0.00 N ATOM 586 CA LEU A 41 -8.641 -1.749 9.509 1.00 0.00 C ATOM 587 C LEU A 41 -8.473 -3.246 9.747 1.00 0.00 C ATOM 588 O LEU A 41 -9.401 -4.027 9.536 1.00 0.00 O ATOM 589 CB LEU A 41 -7.886 -1.333 8.245 1.00 0.00 C ATOM 590 CG LEU A 41 -8.385 -1.942 6.935 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.512 -1.104 6.351 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.243 -2.072 5.938 1.00 0.00 C ATOM 0 H LEU A 41 -7.679 -0.120 10.414 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.702 -1.538 9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.933 -0.247 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.836 -1.598 8.369 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.773 -2.939 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.854 -1.553 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.340 -1.063 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.151 -0.094 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.617 -2.507 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.825 -1.086 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.468 -2.715 6.354 1.00 0.00 H new ATOM 604 N LYS A 42 -7.284 -3.640 10.189 1.00 0.00 N ATOM 605 CA LYS A 42 -6.994 -5.043 10.459 1.00 0.00 C ATOM 606 C LYS A 42 -8.115 -5.684 11.270 1.00 0.00 C ATOM 607 O LYS A 42 -8.679 -6.702 10.869 1.00 0.00 O ATOM 608 CB LYS A 42 -5.667 -5.176 11.211 1.00 0.00 C ATOM 609 CG LYS A 42 -4.510 -4.461 10.533 1.00 0.00 C ATOM 610 CD LYS A 42 -3.214 -4.643 11.305 1.00 0.00 C ATOM 611 CE LYS A 42 -2.666 -6.053 11.148 1.00 0.00 C ATOM 612 NZ LYS A 42 -1.835 -6.192 9.920 1.00 0.00 N ATOM 0 H LYS A 42 -6.505 -3.007 10.368 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.917 -5.562 9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.788 -4.779 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.421 -6.233 11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.388 -4.844 9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.738 -3.398 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.475 -3.923 10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.386 -4.433 12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.068 -6.309 12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.493 -6.762 11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.763 -7.197 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.277 -5.665 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.884 -5.812 10.100 1.00 0.00 H new ATOM 626 N GLU A 43 -8.434 -5.081 12.411 1.00 0.00 N ATOM 627 CA GLU A 43 -9.490 -5.594 13.276 1.00 0.00 C ATOM 628 C GLU A 43 -10.803 -5.727 12.512 1.00 0.00 C ATOM 629 O GLU A 43 -11.363 -6.818 12.405 1.00 0.00 O ATOM 630 CB GLU A 43 -9.681 -4.675 14.484 1.00 0.00 C ATOM 631 CG GLU A 43 -8.422 -4.493 15.316 1.00 0.00 C ATOM 632 CD GLU A 43 -8.296 -5.528 16.417 1.00 0.00 C ATOM 633 OE1 GLU A 43 -9.341 -5.997 16.914 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.151 -5.868 16.782 1.00 0.00 O ATOM 0 H GLU A 43 -7.977 -4.238 12.758 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.191 -6.583 13.624 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.021 -3.699 14.137 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.470 -5.081 15.118 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.549 -4.552 14.665 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.424 -3.496 15.758 1.00 0.00 H new ATOM 641 N GLU A 44 -11.289 -4.609 11.982 1.00 0.00 N ATOM 642 CA GLU A 44 -12.538 -4.601 11.229 1.00 0.00 C ATOM 643 C GLU A 44 -12.591 -5.770 10.250 1.00 0.00 C ATOM 644 O GLU A 44 -13.624 -6.422 10.100 1.00 0.00 O ATOM 645 CB GLU A 44 -12.694 -3.280 10.472 1.00 0.00 C ATOM 646 CG GLU A 44 -13.320 -2.173 11.303 1.00 0.00 C ATOM 647 CD GLU A 44 -14.705 -2.531 11.804 1.00 0.00 C ATOM 648 OE1 GLU A 44 -15.683 -2.307 11.060 1.00 0.00 O ATOM 649 OE2 GLU A 44 -14.811 -3.037 12.941 1.00 0.00 O ATOM 0 H GLU A 44 -10.837 -3.698 12.060 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.360 -4.705 11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.714 -2.952 10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.306 -3.449 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.675 -1.954 12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.378 -1.264 10.705 1.00 0.00 H new ATOM 656 N PHE A 45 -11.469 -6.030 9.587 1.00 0.00 N ATOM 657 CA PHE A 45 -11.387 -7.119 8.621 1.00 0.00 C ATOM 658 C PHE A 45 -10.111 -7.931 8.825 1.00 0.00 C ATOM 659 O PHE A 45 -9.047 -7.607 8.296 1.00 0.00 O ATOM 660 CB PHE A 45 -11.432 -6.569 7.194 1.00 0.00 C ATOM 661 CG PHE A 45 -12.474 -5.505 6.995 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.213 -4.189 7.339 1.00 0.00 C ATOM 663 CD2 PHE A 45 -13.713 -5.822 6.464 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.169 -3.207 7.157 1.00 0.00 C ATOM 665 CE2 PHE A 45 -14.673 -4.845 6.279 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.401 -3.537 6.627 1.00 0.00 C ATOM 0 H PHE A 45 -10.604 -5.501 9.701 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.244 -7.775 8.777 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.454 -6.161 6.939 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.625 -7.389 6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.251 -3.927 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.932 -6.844 6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.953 -2.184 7.429 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.635 -5.105 5.863 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.151 -2.773 6.485 1.00 0.00 H new ATOM 676 N PRO A 46 -10.217 -9.013 9.611 1.00 0.00 N ATOM 677 CA PRO A 46 -9.083 -9.894 9.904 1.00 0.00 C ATOM 678 C PRO A 46 -8.647 -10.701 8.686 1.00 0.00 C ATOM 679 O PRO A 46 -7.467 -10.727 8.336 1.00 0.00 O ATOM 680 CB PRO A 46 -9.626 -10.821 10.993 1.00 0.00 C ATOM 681 CG PRO A 46 -11.101 -10.829 10.784 1.00 0.00 C ATOM 682 CD PRO A 46 -11.454 -9.459 10.275 1.00 0.00 C ATOM 0 HA PRO A 46 -8.198 -9.333 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.208 -11.824 10.904 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.369 -10.456 11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.390 -11.598 10.067 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.626 -11.047 11.714 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.293 -9.492 9.580 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.738 -8.790 11.087 1.00 0.00 H new ATOM 690 N ASP A 47 -9.606 -11.359 8.044 1.00 0.00 N ATOM 691 CA ASP A 47 -9.321 -12.166 6.863 1.00 0.00 C ATOM 692 C ASP A 47 -8.934 -11.283 5.681 1.00 0.00 C ATOM 693 O ASP A 47 -9.750 -10.512 5.177 1.00 0.00 O ATOM 694 CB ASP A 47 -10.535 -13.023 6.500 1.00 0.00 C ATOM 695 CG ASP A 47 -11.073 -13.798 7.686 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.865 -13.222 8.463 1.00 0.00 O ATOM 697 OD2 ASP A 47 -10.704 -14.981 7.839 1.00 0.00 O ATOM 0 H ASP A 47 -10.588 -11.349 8.321 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.480 -12.820 7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.322 -12.383 6.101 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.260 -13.720 5.709 1.00 0.00 H new ATOM 702 N TRP A 48 -7.686 -11.401 5.245 1.00 0.00 N ATOM 703 CA TRP A 48 -7.190 -10.613 4.123 1.00 0.00 C ATOM 704 C TRP A 48 -8.200 -10.597 2.980 1.00 0.00 C ATOM 705 O TRP A 48 -8.732 -9.546 2.623 1.00 0.00 O ATOM 706 CB TRP A 48 -5.853 -11.171 3.631 1.00 0.00 C ATOM 707 CG TRP A 48 -5.393 -10.560 2.342 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.067 -11.221 1.192 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.205 -9.166 2.074 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.688 -10.322 0.225 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.765 -9.055 0.740 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.367 -8.002 2.828 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.485 -7.826 0.149 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -5.088 -6.783 2.240 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.652 -6.702 0.911 1.00 0.00 C ATOM 0 H TRP A 48 -6.998 -12.035 5.651 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.043 -9.589 4.468 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.094 -11.004 4.395 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.943 -12.250 3.502 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.102 -12.293 1.062 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.396 -10.559 -0.723 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.704 -8.053 3.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.148 -7.762 -0.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.208 -5.877 2.815 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.444 -5.734 0.480 1.00 0.00 H new ATOM 726 N THR A 49 -8.460 -11.770 2.411 1.00 0.00 N ATOM 727 CA THR A 49 -9.405 -11.890 1.308 1.00 0.00 C ATOM 728 C THR A 49 -10.632 -11.014 1.537 1.00 0.00 C ATOM 729 O THR A 49 -11.277 -10.570 0.587 1.00 0.00 O ATOM 730 CB THR A 49 -9.860 -13.349 1.114 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.762 -14.239 1.345 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.407 -13.564 -0.289 1.00 0.00 C ATOM 0 H THR A 49 -8.030 -12.650 2.696 1.00 0.00 H new ATOM 0 HA THR A 49 -8.886 -11.556 0.410 1.00 0.00 H new ATOM 0 HB THR A 49 -10.654 -13.557 1.832 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.060 -15.165 1.221 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.722 -14.601 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.261 -12.906 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.631 -13.339 -1.021 1.00 0.00 H new ATOM 740 N THR A 50 -10.949 -10.767 2.804 1.00 0.00 N ATOM 741 CA THR A 50 -12.098 -9.944 3.158 1.00 0.00 C ATOM 742 C THR A 50 -11.702 -8.479 3.302 1.00 0.00 C ATOM 743 O THR A 50 -12.429 -7.585 2.869 1.00 0.00 O ATOM 744 CB THR A 50 -12.748 -10.421 4.471 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.178 -11.780 4.340 1.00 0.00 O ATOM 746 CG2 THR A 50 -13.933 -9.541 4.839 1.00 0.00 C ATOM 0 H THR A 50 -10.425 -11.126 3.602 1.00 0.00 H new ATOM 0 HA THR A 50 -12.820 -10.044 2.347 1.00 0.00 H new ATOM 0 HB THR A 50 -12.004 -10.352 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.588 -12.076 5.179 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.376 -9.897 5.769 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.596 -8.512 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.678 -9.582 4.044 1.00 0.00 H new ATOM 754 N ARG A 51 -10.546 -8.241 3.912 1.00 0.00 N ATOM 755 CA ARG A 51 -10.054 -6.884 4.114 1.00 0.00 C ATOM 756 C ARG A 51 -9.673 -6.241 2.784 1.00 0.00 C ATOM 757 O ARG A 51 -10.140 -5.151 2.453 1.00 0.00 O ATOM 758 CB ARG A 51 -8.847 -6.891 5.054 1.00 0.00 C ATOM 759 CG ARG A 51 -8.295 -5.505 5.347 1.00 0.00 C ATOM 760 CD ARG A 51 -7.196 -5.553 6.397 1.00 0.00 C ATOM 761 NE ARG A 51 -6.140 -6.496 6.041 1.00 0.00 N ATOM 762 CZ ARG A 51 -4.894 -6.409 6.494 1.00 0.00 C ATOM 763 NH1 ARG A 51 -4.551 -5.427 7.316 1.00 0.00 N ATOM 764 NH2 ARG A 51 -3.988 -7.306 6.124 1.00 0.00 N ATOM 0 H ARG A 51 -9.932 -8.971 4.275 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.854 -6.297 4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.131 -7.366 5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.058 -7.501 4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.904 -5.067 4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.101 -4.857 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.768 -4.558 6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.625 -5.835 7.358 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.371 -7.263 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.244 -4.736 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.594 -5.363 7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.248 -8.063 5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.032 -7.238 6.472 1.00 0.00 H new ATOM 778 N VAL A 52 -8.820 -6.922 2.025 1.00 0.00 N ATOM 779 CA VAL A 52 -8.376 -6.418 0.731 1.00 0.00 C ATOM 780 C VAL A 52 -9.545 -5.856 -0.069 1.00 0.00 C ATOM 781 O VAL A 52 -9.462 -4.760 -0.624 1.00 0.00 O ATOM 782 CB VAL A 52 -7.686 -7.521 -0.094 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.660 -8.650 -0.396 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.112 -6.944 -1.378 1.00 0.00 C ATOM 0 H VAL A 52 -8.423 -7.825 2.284 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.659 -5.621 0.930 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.864 -7.930 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.155 -9.420 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.019 -9.080 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.504 -8.260 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.628 -7.737 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.915 -6.508 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.380 -6.173 -1.135 1.00 0.00 H new ATOM 794 N LYS A 53 -10.635 -6.613 -0.126 1.00 0.00 N ATOM 795 CA LYS A 53 -11.824 -6.190 -0.857 1.00 0.00 C ATOM 796 C LYS A 53 -12.251 -4.788 -0.437 1.00 0.00 C ATOM 797 O LYS A 53 -12.639 -3.972 -1.273 1.00 0.00 O ATOM 798 CB LYS A 53 -12.970 -7.176 -0.622 1.00 0.00 C ATOM 799 CG LYS A 53 -12.736 -8.542 -1.245 1.00 0.00 C ATOM 800 CD LYS A 53 -13.676 -9.587 -0.669 1.00 0.00 C ATOM 801 CE LYS A 53 -13.557 -10.911 -1.407 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.240 -12.016 -0.678 1.00 0.00 N ATOM 0 H LYS A 53 -10.720 -7.524 0.326 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.580 -6.173 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.120 -7.296 0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.890 -6.754 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.877 -8.480 -2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.703 -8.848 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.452 -9.737 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.703 -9.227 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.989 -10.812 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.504 -11.160 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.136 -12.901 -1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.812 -12.128 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.250 -11.791 -0.574 1.00 0.00 H new ATOM 816 N GLN A 54 -12.176 -4.515 0.862 1.00 0.00 N ATOM 817 CA GLN A 54 -12.555 -3.210 1.391 1.00 0.00 C ATOM 818 C GLN A 54 -11.664 -2.112 0.819 1.00 0.00 C ATOM 819 O GLN A 54 -12.142 -1.205 0.137 1.00 0.00 O ATOM 820 CB GLN A 54 -12.467 -3.211 2.918 1.00 0.00 C ATOM 821 CG GLN A 54 -13.266 -4.326 3.573 1.00 0.00 C ATOM 822 CD GLN A 54 -14.743 -4.000 3.682 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.051 -2.821 4.210 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.597 -4.798 3.295 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.857 -5.180 1.567 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.584 -3.009 1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.422 -3.303 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.822 -2.252 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.142 -5.243 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.866 -4.518 4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.315 -5.693 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.587 -4.564 3.374 1.00 0.00 H new ATOM 833 N ILE A 55 -10.369 -2.199 1.103 1.00 0.00 N ATOM 834 CA ILE A 55 -9.413 -1.213 0.617 1.00 0.00 C ATOM 835 C ILE A 55 -9.779 -0.737 -0.785 1.00 0.00 C ATOM 836 O ILE A 55 -9.637 0.442 -1.108 1.00 0.00 O ATOM 837 CB ILE A 55 -7.981 -1.779 0.596 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.520 -2.111 2.017 1.00 0.00 C ATOM 839 CG2 ILE A 55 -7.029 -0.789 -0.058 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.219 -2.881 2.066 1.00 0.00 C ATOM 0 H ILE A 55 -9.958 -2.943 1.667 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.452 -0.370 1.307 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.978 -2.697 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.406 -1.184 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.296 -2.692 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.021 -1.204 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.350 -0.598 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.033 0.145 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.954 -3.081 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.334 -3.824 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.430 -2.293 1.597 1.00 0.00 H new ATOM 852 N ALA A 56 -10.254 -1.661 -1.613 1.00 0.00 N ATOM 853 CA ALA A 56 -10.645 -1.336 -2.979 1.00 0.00 C ATOM 854 C ALA A 56 -11.810 -0.352 -2.997 1.00 0.00 C ATOM 855 O ALA A 56 -11.736 0.702 -3.628 1.00 0.00 O ATOM 856 CB ALA A 56 -11.009 -2.602 -3.740 1.00 0.00 C ATOM 0 H ALA A 56 -10.377 -2.642 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.795 -0.862 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.299 -2.344 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.149 -3.271 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.841 -3.100 -3.241 1.00 0.00 H new ATOM 862 N LYS A 57 -12.885 -0.703 -2.300 1.00 0.00 N ATOM 863 CA LYS A 57 -14.067 0.149 -2.235 1.00 0.00 C ATOM 864 C LYS A 57 -13.735 1.490 -1.588 1.00 0.00 C ATOM 865 O LYS A 57 -14.053 2.548 -2.132 1.00 0.00 O ATOM 866 CB LYS A 57 -15.180 -0.548 -1.449 1.00 0.00 C ATOM 867 CG LYS A 57 -15.155 -0.243 0.039 1.00 0.00 C ATOM 868 CD LYS A 57 -16.347 -0.859 0.754 1.00 0.00 C ATOM 869 CE LYS A 57 -16.092 -2.315 1.110 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.351 -3.110 1.133 1.00 0.00 N ATOM 0 H LYS A 57 -12.962 -1.572 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.410 0.332 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.145 -0.247 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.095 -1.625 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.231 -0.625 0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.157 0.836 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.560 -0.294 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.230 -0.788 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.401 -2.750 0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.609 -2.371 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.134 -4.097 1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.001 -2.711 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.799 -3.078 0.195 1.00 0.00 H new ATOM 884 N LEU A 58 -13.095 1.439 -0.426 1.00 0.00 N ATOM 885 CA LEU A 58 -12.719 2.650 0.295 1.00 0.00 C ATOM 886 C LEU A 58 -11.823 3.538 -0.563 1.00 0.00 C ATOM 887 O LEU A 58 -11.770 4.753 -0.371 1.00 0.00 O ATOM 888 CB LEU A 58 -12.002 2.291 1.597 1.00 0.00 C ATOM 889 CG LEU A 58 -12.725 1.299 2.510 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.790 0.796 3.598 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.962 1.942 3.122 1.00 0.00 C ATOM 0 H LEU A 58 -12.825 0.572 0.038 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.630 3.201 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.024 1.879 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.828 3.209 2.158 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.042 0.446 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.322 0.092 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.935 0.297 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.442 1.638 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.464 1.222 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.667 2.813 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.641 2.252 2.328 1.00 0.00 H new ATOM 903 N TRP A 59 -11.124 2.924 -1.511 1.00 0.00 N ATOM 904 CA TRP A 59 -10.232 3.660 -2.400 1.00 0.00 C ATOM 905 C TRP A 59 -11.002 4.247 -3.578 1.00 0.00 C ATOM 906 O TRP A 59 -10.781 5.395 -3.965 1.00 0.00 O ATOM 907 CB TRP A 59 -9.117 2.745 -2.909 1.00 0.00 C ATOM 908 CG TRP A 59 -8.230 3.398 -3.925 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.246 3.198 -5.276 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.195 4.354 -3.671 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.284 3.973 -5.877 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.626 4.692 -4.914 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.695 4.959 -2.515 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.582 5.606 -5.031 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.660 5.866 -2.632 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.113 6.184 -3.883 1.00 0.00 C ATOM 0 H TRP A 59 -11.158 1.919 -1.684 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.790 4.480 -1.834 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.511 2.419 -2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.562 1.851 -3.346 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.916 2.529 -5.795 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.091 4.008 -6.878 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.111 4.722 -1.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.158 5.850 -5.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.265 6.338 -1.745 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.306 6.899 -3.942 1.00 0.00 H new ATOM 927 N ARG A 60 -11.905 3.453 -4.145 1.00 0.00 N ATOM 928 CA ARG A 60 -12.706 3.895 -5.280 1.00 0.00 C ATOM 929 C ARG A 60 -13.521 5.134 -4.920 1.00 0.00 C ATOM 930 O ARG A 60 -13.522 6.124 -5.652 1.00 0.00 O ATOM 931 CB ARG A 60 -13.639 2.774 -5.740 1.00 0.00 C ATOM 932 CG ARG A 60 -12.916 1.619 -6.416 1.00 0.00 C ATOM 933 CD ARG A 60 -13.842 0.851 -7.346 1.00 0.00 C ATOM 934 NE ARG A 60 -13.121 -0.143 -8.137 1.00 0.00 N ATOM 935 CZ ARG A 60 -12.499 0.135 -9.277 1.00 0.00 C ATOM 936 NH1 ARG A 60 -12.510 1.371 -9.758 1.00 0.00 N ATOM 937 NH2 ARG A 60 -11.864 -0.823 -9.940 1.00 0.00 N ATOM 0 H ARG A 60 -12.100 2.500 -3.837 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.028 4.151 -6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.188 2.394 -4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.375 3.186 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.066 2.001 -6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.518 0.944 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.616 0.356 -6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.346 1.550 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.094 -1.104 -7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.997 2.111 -9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.031 1.582 -10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.853 -1.775 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.387 -0.607 -10.815 1.00 0.00 H new ATOM 951 N LYS A 61 -14.214 5.072 -3.789 1.00 0.00 N ATOM 952 CA LYS A 61 -15.034 6.187 -3.330 1.00 0.00 C ATOM 953 C LYS A 61 -14.241 7.491 -3.356 1.00 0.00 C ATOM 954 O LYS A 61 -14.790 8.556 -3.636 1.00 0.00 O ATOM 955 CB LYS A 61 -15.550 5.920 -1.915 1.00 0.00 C ATOM 956 CG LYS A 61 -14.554 6.280 -0.826 1.00 0.00 C ATOM 957 CD LYS A 61 -14.738 5.412 0.408 1.00 0.00 C ATOM 958 CE LYS A 61 -15.716 6.039 1.389 1.00 0.00 C ATOM 959 NZ LYS A 61 -15.768 5.290 2.676 1.00 0.00 N ATOM 0 H LYS A 61 -14.224 4.260 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.883 6.284 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.467 6.488 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.809 4.865 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.539 6.162 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.673 7.329 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.100 4.428 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.775 5.264 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.425 7.072 1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.711 6.065 0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.446 5.749 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.070 4.311 2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.825 5.286 3.114 1.00 0.00 H new ATOM 973 N ALA A 62 -12.948 7.398 -3.064 1.00 0.00 N ATOM 974 CA ALA A 62 -12.081 8.569 -3.057 1.00 0.00 C ATOM 975 C ALA A 62 -11.913 9.136 -4.463 1.00 0.00 C ATOM 976 O ALA A 62 -11.715 8.391 -5.423 1.00 0.00 O ATOM 977 CB ALA A 62 -10.725 8.218 -2.462 1.00 0.00 C ATOM 0 H ALA A 62 -12.478 6.524 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.550 9.334 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.087 9.102 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.857 7.867 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.258 7.433 -3.058 1.00 0.00 H new ATOM 983 N SER A 63 -11.994 10.458 -4.577 1.00 0.00 N ATOM 984 CA SER A 63 -11.855 11.124 -5.866 1.00 0.00 C ATOM 985 C SER A 63 -10.384 11.303 -6.230 1.00 0.00 C ATOM 986 O SER A 63 -9.521 11.372 -5.355 1.00 0.00 O ATOM 987 CB SER A 63 -12.555 12.484 -5.839 1.00 0.00 C ATOM 988 OG SER A 63 -13.960 12.332 -5.733 1.00 0.00 O ATOM 0 H SER A 63 -12.155 11.089 -3.792 1.00 0.00 H new ATOM 0 HA SER A 63 -12.324 10.497 -6.624 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.185 13.070 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.313 13.039 -6.745 1.00 0.00 H new ATOM 0 HG SER A 63 -14.384 13.215 -5.716 1.00 0.00 H new ATOM 994 N SER A 64 -10.107 11.379 -7.527 1.00 0.00 N ATOM 995 CA SER A 64 -8.741 11.547 -8.008 1.00 0.00 C ATOM 996 C SER A 64 -8.007 12.614 -7.200 1.00 0.00 C ATOM 997 O SER A 64 -6.894 12.391 -6.726 1.00 0.00 O ATOM 998 CB SER A 64 -8.742 11.926 -9.491 1.00 0.00 C ATOM 999 OG SER A 64 -9.711 11.179 -10.206 1.00 0.00 O ATOM 0 H SER A 64 -10.810 11.327 -8.264 1.00 0.00 H new ATOM 0 HA SER A 64 -8.220 10.598 -7.883 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.948 12.991 -9.598 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.754 11.748 -9.916 1.00 0.00 H new ATOM 0 HG SER A 64 -9.694 11.440 -11.150 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.641 13.772 -7.049 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.049 14.874 -6.300 1.00 0.00 C ATOM 1007 C GLN A 65 -7.663 14.430 -4.893 1.00 0.00 C ATOM 1008 O GLN A 65 -6.731 14.967 -4.296 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.023 16.051 -6.227 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.446 16.576 -7.590 1.00 0.00 C ATOM 1011 CD GLN A 65 -8.272 17.052 -8.422 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -7.465 17.865 -7.969 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -8.170 16.548 -9.646 1.00 0.00 N ATOM 0 H GLN A 65 -9.564 13.971 -7.435 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.146 15.191 -6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.910 15.744 -5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.560 16.861 -5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.974 15.790 -8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.149 17.398 -7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.861 15.877 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.400 16.832 -10.252 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.388 13.446 -4.368 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.122 12.932 -3.030 1.00 0.00 C ATOM 1024 C GLU A 66 -6.948 11.957 -3.046 1.00 0.00 C ATOM 1025 O GLU A 66 -6.137 11.930 -2.120 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.366 12.240 -2.469 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.187 11.724 -1.051 1.00 0.00 C ATOM 1028 CD GLU A 66 -10.495 11.283 -0.422 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -11.416 12.121 -0.321 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -10.597 10.102 -0.030 1.00 0.00 O ATOM 0 H GLU A 66 -9.163 12.990 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.864 13.775 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.201 12.940 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.632 11.407 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.491 10.885 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.738 12.505 -0.438 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.864 11.158 -4.105 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.791 10.181 -4.241 1.00 0.00 C ATOM 1039 C ARG A 67 -4.504 10.848 -4.719 1.00 0.00 C ATOM 1040 O ARG A 67 -3.418 10.282 -4.601 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.198 9.077 -5.219 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.638 8.619 -5.054 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.180 8.010 -6.338 1.00 0.00 C ATOM 1044 NE ARG A 67 -9.476 7.368 -6.135 1.00 0.00 N ATOM 1045 CZ ARG A 67 -10.154 6.760 -7.102 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -9.661 6.711 -8.332 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -11.327 6.199 -6.840 1.00 0.00 N ATOM 0 H ARG A 67 -7.526 11.168 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.610 9.741 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.054 9.435 -6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.536 8.222 -5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.698 7.886 -4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.259 9.466 -4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.275 8.788 -7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.469 7.278 -6.720 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.883 7.388 -5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.759 7.141 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.184 6.243 -9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.709 6.234 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.847 5.732 -7.583 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.636 12.055 -5.259 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.485 12.801 -5.753 1.00 0.00 C ATOM 1063 C ALA A 68 -2.254 12.545 -4.890 1.00 0.00 C ATOM 1064 O ALA A 68 -1.216 12.084 -5.366 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.799 14.289 -5.800 1.00 0.00 C ATOM 0 H ALA A 68 -5.529 12.537 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.267 12.456 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.930 14.833 -6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.646 14.461 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.047 14.640 -4.798 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.368 12.852 -3.589 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.274 12.664 -2.632 1.00 0.00 C ATOM 1073 C PRO A 69 -0.988 11.191 -2.360 1.00 0.00 C ATOM 1074 O PRO A 69 0.156 10.744 -2.450 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.788 13.352 -1.365 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.272 13.302 -1.483 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.575 13.406 -2.952 1.00 0.00 C ATOM 0 HA PRO A 69 -0.334 13.072 -3.003 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.445 12.837 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.430 14.380 -1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.665 12.374 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.735 14.119 -0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.467 12.839 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.751 14.438 -3.254 1.00 0.00 H new ATOM 1085 N TYR A 70 -2.033 10.442 -2.028 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.894 9.019 -1.741 1.00 0.00 C ATOM 1087 C TYR A 70 -1.327 8.274 -2.946 1.00 0.00 C ATOM 1088 O TYR A 70 -0.857 7.142 -2.825 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.246 8.422 -1.348 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.886 9.103 -0.158 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.363 8.947 1.120 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -5.013 9.900 -0.312 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.944 9.567 2.209 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.599 10.525 0.771 1.00 0.00 C ATOM 1095 CZ TYR A 70 -5.062 10.355 2.030 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.644 10.974 3.112 1.00 0.00 O ATOM 0 H TYR A 70 -2.986 10.796 -1.951 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.200 8.908 -0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.923 8.485 -2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.115 7.364 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.488 8.331 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.438 10.033 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.525 9.435 3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.473 11.144 0.633 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.421 11.492 2.814 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.375 8.917 -4.108 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.866 8.317 -5.335 1.00 0.00 C ATOM 1108 C VAL A 71 0.628 8.577 -5.495 1.00 0.00 C ATOM 1109 O VAL A 71 1.369 7.720 -5.975 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.605 8.858 -6.573 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -0.988 8.305 -7.848 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.087 8.521 -6.498 1.00 0.00 C ATOM 0 H VAL A 71 -1.761 9.854 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.039 7.244 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.503 9.943 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.524 8.699 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.059 8.602 -7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.057 7.217 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.594 8.911 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.212 7.439 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.518 8.971 -5.604 1.00 0.00 H new ATOM 1122 N GLN A 72 1.063 9.766 -5.088 1.00 0.00 N ATOM 1123 CA GLN A 72 2.469 10.139 -5.187 1.00 0.00 C ATOM 1124 C GLN A 72 3.269 9.558 -4.025 1.00 0.00 C ATOM 1125 O GLN A 72 4.350 9.002 -4.218 1.00 0.00 O ATOM 1126 CB GLN A 72 2.614 11.661 -5.211 1.00 0.00 C ATOM 1127 CG GLN A 72 4.014 12.144 -4.865 1.00 0.00 C ATOM 1128 CD GLN A 72 5.028 11.813 -5.942 1.00 0.00 C ATOM 1129 OE1 GLN A 72 4.978 12.356 -7.046 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.956 10.918 -5.626 1.00 0.00 N ATOM 0 H GLN A 72 0.462 10.486 -4.687 1.00 0.00 H new ATOM 0 HA GLN A 72 2.863 9.729 -6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.347 12.028 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.904 12.097 -4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.994 13.223 -4.709 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.328 11.692 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.960 10.493 -4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.665 10.655 -6.310 1.00 0.00 H new ATOM 1139 N LYS A 73 2.730 9.691 -2.818 1.00 0.00 N ATOM 1140 CA LYS A 73 3.392 9.179 -1.624 1.00 0.00 C ATOM 1141 C LYS A 73 3.808 7.724 -1.814 1.00 0.00 C ATOM 1142 O LYS A 73 4.950 7.354 -1.543 1.00 0.00 O ATOM 1143 CB LYS A 73 2.468 9.302 -0.411 1.00 0.00 C ATOM 1144 CG LYS A 73 3.171 9.069 0.916 1.00 0.00 C ATOM 1145 CD LYS A 73 2.337 9.569 2.084 1.00 0.00 C ATOM 1146 CE LYS A 73 2.885 9.072 3.413 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.006 9.922 3.903 1.00 0.00 N ATOM 0 H LYS A 73 1.836 10.149 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 73 4.288 9.775 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.020 10.296 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.653 8.585 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.372 8.005 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.135 9.577 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.321 10.659 2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.306 9.234 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.086 9.062 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.230 8.044 3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.352 9.551 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.779 9.912 3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.671 10.898 4.033 1.00 0.00 H new ATOM 1161 N ALA A 74 2.874 6.902 -2.282 1.00 0.00 N ATOM 1162 CA ALA A 74 3.145 5.489 -2.512 1.00 0.00 C ATOM 1163 C ALA A 74 4.417 5.300 -3.332 1.00 0.00 C ATOM 1164 O ALA A 74 5.213 4.400 -3.062 1.00 0.00 O ATOM 1165 CB ALA A 74 1.963 4.831 -3.208 1.00 0.00 C ATOM 0 H ALA A 74 1.923 7.191 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 74 3.294 5.011 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.180 3.776 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.074 4.926 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.787 5.320 -4.166 1.00 0.00 H new ATOM 1171 N ARG A 75 4.602 6.153 -4.334 1.00 0.00 N ATOM 1172 CA ARG A 75 5.776 6.078 -5.194 1.00 0.00 C ATOM 1173 C ARG A 75 7.043 6.423 -4.417 1.00 0.00 C ATOM 1174 O ARG A 75 8.016 5.669 -4.429 1.00 0.00 O ATOM 1175 CB ARG A 75 5.623 7.025 -6.386 1.00 0.00 C ATOM 1176 CG ARG A 75 4.322 6.837 -7.150 1.00 0.00 C ATOM 1177 CD ARG A 75 3.932 8.099 -7.904 1.00 0.00 C ATOM 1178 NE ARG A 75 4.497 8.128 -9.250 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.481 9.203 -10.031 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.932 10.331 -9.601 1.00 0.00 N ATOM 1181 NH2 ARG A 75 5.016 9.151 -11.244 1.00 0.00 N ATOM 0 H ARG A 75 3.954 6.904 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 75 5.862 5.055 -5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.681 8.054 -6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.460 6.875 -7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.427 6.010 -7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.527 6.566 -6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.846 8.164 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.273 8.973 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 75 4.928 7.277 -9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.521 10.375 -8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.921 11.155 -10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.440 8.285 -11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.003 9.977 -11.843 1.00 0.00 H new ATOM 1195 N ASP A 76 7.023 7.567 -3.742 1.00 0.00 N ATOM 1196 CA ASP A 76 8.170 8.013 -2.959 1.00 0.00 C ATOM 1197 C ASP A 76 8.575 6.953 -1.938 1.00 0.00 C ATOM 1198 O ASP A 76 9.760 6.739 -1.689 1.00 0.00 O ATOM 1199 CB ASP A 76 7.848 9.328 -2.247 1.00 0.00 C ATOM 1200 CG ASP A 76 9.078 10.190 -2.041 1.00 0.00 C ATOM 1201 OD1 ASP A 76 10.069 9.686 -1.472 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.050 11.369 -2.450 1.00 0.00 O ATOM 0 H ASP A 76 6.225 8.202 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 76 9.005 8.173 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.112 9.883 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.393 9.113 -1.280 1.00 0.00 H new ATOM 1207 N ASN A 77 7.581 6.295 -1.351 1.00 0.00 N ATOM 1208 CA ASN A 77 7.834 5.259 -0.356 1.00 0.00 C ATOM 1209 C ASN A 77 8.783 4.198 -0.904 1.00 0.00 C ATOM 1210 O ASN A 77 9.616 3.658 -0.176 1.00 0.00 O ATOM 1211 CB ASN A 77 6.519 4.608 0.079 1.00 0.00 C ATOM 1212 CG ASN A 77 5.896 5.304 1.273 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.566 6.045 1.992 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.608 5.067 1.490 1.00 0.00 N ATOM 0 H ASN A 77 6.594 6.460 -1.547 1.00 0.00 H new ATOM 0 HA ASN A 77 8.303 5.728 0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.816 4.623 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.699 3.562 0.325 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.134 5.507 2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.092 4.445 0.868 1.00 0.00 H new ATOM 1221 N ARG A 78 8.651 3.903 -2.194 1.00 0.00 N ATOM 1222 CA ARG A 78 9.496 2.907 -2.840 1.00 0.00 C ATOM 1223 C ARG A 78 10.959 3.341 -2.824 1.00 0.00 C ATOM 1224 O ARG A 78 11.852 2.537 -2.559 1.00 0.00 O ATOM 1225 CB ARG A 78 9.038 2.676 -4.281 1.00 0.00 C ATOM 1226 CG ARG A 78 7.691 1.979 -4.388 1.00 0.00 C ATOM 1227 CD ARG A 78 7.360 1.626 -5.830 1.00 0.00 C ATOM 1228 NE ARG A 78 6.200 0.742 -5.924 1.00 0.00 N ATOM 1229 CZ ARG A 78 5.591 0.449 -7.067 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.028 0.966 -8.207 1.00 0.00 N ATOM 1231 NH2 ARG A 78 4.541 -0.363 -7.071 1.00 0.00 N ATOM 0 H ARG A 78 7.967 4.340 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 78 9.405 1.975 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.982 3.636 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.788 2.080 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.700 1.072 -3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.912 2.625 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.166 2.540 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.222 1.144 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 78 5.839 0.328 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.834 1.591 -8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.558 0.739 -9.083 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.202 -0.762 -6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.073 -0.588 -7.949 1.00 0.00 H new ATOM 1245 N ALA A 79 11.195 4.617 -3.109 1.00 0.00 N ATOM 1246 CA ALA A 79 12.549 5.158 -3.125 1.00 0.00 C ATOM 1247 C ALA A 79 13.220 4.998 -1.765 1.00 0.00 C ATOM 1248 O ALA A 79 14.326 4.467 -1.667 1.00 0.00 O ATOM 1249 CB ALA A 79 12.526 6.623 -3.536 1.00 0.00 C ATOM 0 H ALA A 79 10.467 5.296 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 79 13.131 4.596 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.543 7.015 -3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.094 6.715 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.924 7.191 -2.826 1.00 0.00 H new ATOM 1255 N ALA A 80 12.545 5.462 -0.719 1.00 0.00 N ATOM 1256 CA ALA A 80 13.076 5.369 0.636 1.00 0.00 C ATOM 1257 C ALA A 80 13.829 4.059 0.841 1.00 0.00 C ATOM 1258 O ALA A 80 14.915 4.040 1.423 1.00 0.00 O ATOM 1259 CB ALA A 80 11.953 5.500 1.653 1.00 0.00 C ATOM 0 H ALA A 80 11.629 5.906 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 80 13.780 6.189 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.364 5.429 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.461 6.465 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.228 4.701 1.500 1.00 0.00 H new