USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 65 GLN :FLIP amide:sc= 0.938 F(o=-0.87,f=0.15) USER MOD Set 1.2: A 91 ASN :FLIP amide:sc= -0.787 F(o=-0.87,f=0.15) USER MOD Set 2.1: A 34 SER OG : rot 90:sc= 1.47 USER MOD Set 2.2: A 38 ASN : amide:sc= -3.61! C(o=-2.1!,f=-8.8!) USER MOD Single : A 20 THR OG1 : rot -170:sc= -1.13 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.214 USER MOD Single : A 39 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.53) USER MOD Single : A 41 SER OG : rot 53:sc= 0.147 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= 1.73 (180deg=1.25) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 51 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.7!) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.293 F(o=-1.7,f=-0.29) USER MOD Single : A 66 TYR OH : rot -155:sc= -0.487 USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= 0.339 (180deg=0.00438) USER MOD Single : A 73 GLN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.859 F(o=-2.8,f=-0.86) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.119 F(o=-0.69,f=-0.12) USER MOD Single : A 95 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.759 -22.879 -13.432 1.00 12.42 N ATOM 234 CA ALA A 17 29.787 -22.712 -14.880 1.00 42.35 C ATOM 235 C ALA A 17 29.818 -21.235 -15.260 1.00 62.44 C ATOM 236 O ALA A 17 29.223 -20.397 -14.583 1.00 42.53 O ATOM 237 CB ALA A 17 28.587 -23.398 -15.515 1.00 33.33 C ATOM 0 HA ALA A 17 30.697 -23.177 -15.258 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.622 -23.265 -16.596 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.610 -24.462 -15.280 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.669 -22.960 -15.125 1.00 33.33 H new ATOM 243 N ARG A 18 30.515 -20.924 -16.349 1.00 70.43 N ATOM 244 CA ARG A 18 30.624 -19.548 -16.818 1.00 32.44 C ATOM 245 C ARG A 18 29.347 -19.113 -17.532 1.00 34.41 C ATOM 246 O ARG A 18 28.567 -19.935 -18.014 1.00 12.32 O ATOM 247 CB ARG A 18 31.822 -19.401 -17.758 1.00 12.31 C ATOM 248 CG ARG A 18 31.489 -19.675 -19.216 1.00 64.34 C ATOM 249 CD ARG A 18 32.680 -19.401 -20.120 1.00 1.20 C ATOM 250 NE ARG A 18 32.268 -19.067 -21.481 1.00 31.54 N ATOM 251 CZ ARG A 18 31.787 -17.879 -21.833 1.00 74.52 C ATOM 252 NH1 ARG A 18 31.659 -16.918 -20.929 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 31.435 -17.652 -23.092 1.00 25.53 N ATOM 0 H ARG A 18 31.012 -21.606 -16.922 1.00 70.43 H new ATOM 0 HA ARG A 18 30.770 -18.905 -15.950 1.00 32.44 H new ATOM 0 HB2 ARG A 18 32.221 -18.391 -17.669 1.00 12.31 H new ATOM 0 HB3 ARG A 18 32.609 -20.084 -17.439 1.00 12.31 H new ATOM 0 HG2 ARG A 18 31.175 -20.713 -19.330 1.00 64.34 H new ATOM 0 HG3 ARG A 18 30.648 -19.052 -19.522 1.00 64.34 H new ATOM 0 HD2 ARG A 18 33.267 -18.581 -19.707 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.328 -20.277 -20.142 1.00 1.20 H new ATOM 0 HE ARG A 18 32.354 -19.785 -22.201 1.00 31.54 H new ATOM 0 HH11 ARG A 18 31.930 -17.089 -19.961 1.00 5.14 H new ATOM 0 HH12 ARG A 18 31.290 -16.007 -21.202 1.00 5.14 H new ATOM 0 HH21 ARG A 18 31.533 -18.389 -23.790 1.00 25.53 H new ATOM 0 HH22 ARG A 18 31.066 -16.740 -23.362 1.00 25.53 H new ATOM 267 N PRO A 19 29.127 -17.793 -17.599 1.00 3.15 N ATOM 268 CA PRO A 19 27.946 -17.219 -18.252 1.00 23.40 C ATOM 269 C PRO A 19 27.980 -17.391 -19.766 1.00 70.32 C ATOM 270 O PRO A 19 29.029 -17.675 -20.347 1.00 5.33 O ATOM 271 CB PRO A 19 28.020 -15.736 -17.880 1.00 44.10 C ATOM 272 CG PRO A 19 29.465 -15.481 -17.624 1.00 71.22 C ATOM 273 CD PRO A 19 30.014 -16.755 -17.045 1.00 71.44 C ATOM 0 HA PRO A 19 27.026 -17.707 -17.931 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.644 -15.106 -18.686 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.417 -15.519 -16.998 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.984 -15.216 -18.545 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.598 -14.649 -16.932 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.052 -16.915 -17.338 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.989 -16.745 -15.955 1.00 71.44 H new ATOM 281 N THR A 20 26.826 -17.215 -20.404 1.00 62.41 N ATOM 282 CA THR A 20 26.725 -17.351 -21.852 1.00 11.43 C ATOM 283 C THR A 20 26.689 -15.987 -22.531 1.00 21.11 C ATOM 284 O THR A 20 26.240 -15.001 -21.945 1.00 33.42 O ATOM 285 CB THR A 20 25.467 -18.144 -22.254 1.00 72.41 C ATOM 286 OG1 THR A 20 25.583 -18.592 -23.610 1.00 51.10 O ATOM 287 CG2 THR A 20 24.217 -17.291 -22.102 1.00 52.22 C ATOM 0 H THR A 20 25.949 -16.978 -19.940 1.00 62.41 H new ATOM 0 HA THR A 20 27.610 -17.895 -22.181 1.00 11.43 H new ATOM 0 HB THR A 20 25.381 -19.006 -21.592 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.723 -18.955 -23.909 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.342 -17.873 -22.392 1.00 52.22 H new ATOM 0 HG22 THR A 20 24.116 -16.976 -21.063 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.296 -16.412 -22.742 1.00 52.22 H new ATOM 295 N VAL A 21 27.165 -15.936 -23.771 1.00 64.42 N ATOM 296 CA VAL A 21 27.187 -14.692 -24.531 1.00 34.44 C ATOM 297 C VAL A 21 26.034 -14.638 -25.528 1.00 4.33 C ATOM 298 O VAL A 21 26.111 -15.216 -26.613 1.00 53.11 O ATOM 299 CB VAL A 21 28.516 -14.520 -25.291 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.511 -13.227 -26.090 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.690 -14.554 -24.323 1.00 42.33 C ATOM 0 H VAL A 21 27.541 -16.742 -24.271 1.00 64.42 H new ATOM 0 HA VAL A 21 27.082 -13.880 -23.812 1.00 34.44 H new ATOM 0 HB VAL A 21 28.625 -15.349 -25.990 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.458 -13.123 -26.620 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.693 -13.247 -26.810 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.379 -12.382 -25.414 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.621 -14.431 -24.876 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.588 -13.745 -23.599 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.702 -15.510 -23.799 1.00 42.33 H new ATOM 311 N ILE A 22 24.968 -13.939 -25.153 1.00 22.23 N ATOM 312 CA ILE A 22 23.800 -13.808 -26.015 1.00 2.23 C ATOM 313 C ILE A 22 23.370 -12.349 -26.140 1.00 11.25 C ATOM 314 O ILE A 22 23.367 -11.606 -25.159 1.00 71.43 O ATOM 315 CB ILE A 22 22.615 -14.637 -25.488 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.655 -16.051 -26.070 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.297 -13.955 -25.829 1.00 73.20 C ATOM 318 CD1 ILE A 22 23.211 -17.082 -25.113 1.00 75.24 C ATOM 0 H ILE A 22 24.889 -13.455 -24.259 1.00 22.23 H new ATOM 0 HA ILE A 22 24.088 -14.185 -26.996 1.00 2.23 H new ATOM 0 HB ILE A 22 22.695 -14.708 -24.403 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.646 -16.344 -26.361 1.00 14.22 H new ATOM 0 HG13 ILE A 22 23.260 -16.045 -26.977 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.469 -14.554 -25.450 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.270 -12.966 -25.371 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.208 -13.856 -26.911 1.00 73.20 H new ATOM 0 HD11 ILE A 22 23.210 -18.061 -25.592 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.231 -16.813 -24.841 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.593 -17.116 -24.216 1.00 75.24 H new ATOM 330 N ARG A 23 23.005 -11.947 -27.354 1.00 22.13 N ATOM 331 CA ARG A 23 22.572 -10.578 -27.607 1.00 2.21 C ATOM 332 C ARG A 23 21.583 -10.527 -28.766 1.00 24.52 C ATOM 333 O ARG A 23 21.803 -11.139 -29.812 1.00 2.42 O ATOM 334 CB ARG A 23 23.778 -9.688 -27.912 1.00 42.34 C ATOM 335 CG ARG A 23 23.404 -8.334 -28.491 1.00 24.01 C ATOM 336 CD ARG A 23 24.548 -7.339 -28.366 1.00 73.43 C ATOM 337 NE ARG A 23 24.488 -6.305 -29.396 1.00 13.23 N ATOM 338 CZ ARG A 23 25.496 -5.486 -29.674 1.00 71.22 C ATOM 339 NH1 ARG A 23 26.635 -5.580 -29.002 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 25.366 -4.570 -30.625 1.00 52.22 N ATOM 0 H ARG A 23 23.001 -12.550 -28.177 1.00 22.13 H new ATOM 0 HA ARG A 23 22.074 -10.209 -26.710 1.00 2.21 H new ATOM 0 HB2 ARG A 23 24.348 -9.537 -26.996 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.433 -10.205 -28.613 1.00 42.34 H new ATOM 0 HG2 ARG A 23 23.133 -8.448 -29.541 1.00 24.01 H new ATOM 0 HG3 ARG A 23 22.525 -7.947 -27.975 1.00 24.01 H new ATOM 0 HD2 ARG A 23 24.517 -6.872 -27.381 1.00 73.43 H new ATOM 0 HD3 ARG A 23 25.498 -7.868 -28.438 1.00 73.43 H new ATOM 0 HE ARG A 23 23.625 -6.207 -29.931 1.00 13.23 H new ATOM 0 HH11 ARG A 23 26.739 -6.282 -28.270 1.00 41.22 H new ATOM 0 HH12 ARG A 23 27.408 -4.950 -29.217 1.00 41.22 H new ATOM 0 HH21 ARG A 23 24.491 -4.494 -31.144 1.00 52.22 H new ATOM 0 HH22 ARG A 23 26.141 -3.942 -30.837 1.00 52.22 H new ATOM 354 N TRP A 24 20.492 -9.794 -28.574 1.00 71.11 N ATOM 355 CA TRP A 24 19.467 -9.664 -29.604 1.00 14.11 C ATOM 356 C TRP A 24 18.965 -8.227 -29.693 1.00 74.11 C ATOM 357 O TRP A 24 18.690 -7.591 -28.675 1.00 40.02 O ATOM 358 CB TRP A 24 18.299 -10.608 -29.313 1.00 23.53 C ATOM 359 CG TRP A 24 17.112 -10.376 -30.198 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.047 -9.561 -29.942 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.872 -10.965 -31.480 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.157 -9.609 -30.989 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.640 -10.463 -31.945 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.576 -11.867 -32.282 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.101 -10.834 -33.174 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.039 -12.235 -33.502 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.812 -11.718 -33.939 1.00 42.54 C ATOM 0 H TRP A 24 20.294 -9.281 -27.715 1.00 71.11 H new ATOM 0 HA TRP A 24 19.913 -9.934 -30.561 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.636 -11.638 -29.432 1.00 23.53 H new ATOM 0 HB3 TRP A 24 17.996 -10.489 -28.273 1.00 23.53 H new ATOM 0 HD1 TRP A 24 15.922 -8.966 -29.049 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.279 -9.092 -31.045 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.523 -12.270 -31.955 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.155 -10.438 -33.512 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.574 -12.933 -34.129 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.420 -12.023 -34.898 1.00 42.54 H new ATOM 378 N SER A 25 18.848 -7.720 -30.917 1.00 14.13 N ATOM 379 CA SER A 25 18.382 -6.357 -31.138 1.00 42.24 C ATOM 380 C SER A 25 17.353 -6.310 -32.264 1.00 64.44 C ATOM 381 O SER A 25 17.689 -6.500 -33.432 1.00 51.21 O ATOM 382 CB SER A 25 19.561 -5.440 -31.470 1.00 73.05 C ATOM 383 OG SER A 25 19.116 -4.137 -31.805 1.00 65.11 O ATOM 0 H SER A 25 19.070 -8.233 -31.770 1.00 14.13 H new ATOM 0 HA SER A 25 17.907 -6.009 -30.221 1.00 42.24 H new ATOM 0 HB2 SER A 25 20.237 -5.388 -30.617 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.128 -5.859 -32.301 1.00 73.05 H new ATOM 0 HG SER A 25 19.889 -3.570 -32.011 1.00 65.11 H new ATOM 389 N GLU A 26 16.100 -6.056 -31.902 1.00 53.54 N ATOM 390 CA GLU A 26 15.022 -5.985 -32.881 1.00 53.15 C ATOM 391 C GLU A 26 13.997 -4.926 -32.486 1.00 73.25 C ATOM 392 O GLU A 26 13.785 -3.952 -33.207 1.00 53.42 O ATOM 393 CB GLU A 26 14.337 -7.346 -33.019 1.00 25.03 C ATOM 394 CG GLU A 26 13.484 -7.475 -34.269 1.00 61.21 C ATOM 395 CD GLU A 26 14.313 -7.600 -35.532 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.050 -8.600 -35.662 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 14.225 -6.697 -36.391 1.00 31.44 O ATOM 0 H GLU A 26 15.806 -5.896 -30.938 1.00 53.54 H new ATOM 0 HA GLU A 26 15.456 -5.706 -33.841 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.098 -8.127 -33.026 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.711 -7.519 -32.143 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.838 -8.348 -34.175 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.833 -6.605 -34.351 1.00 61.21 H new ATOM 404 N GLY A 27 13.362 -5.125 -31.335 1.00 44.43 N ATOM 405 CA GLY A 27 12.366 -4.181 -30.863 1.00 31.34 C ATOM 406 C GLY A 27 11.037 -4.842 -30.560 1.00 63.32 C ATOM 407 O GLY A 27 9.981 -4.234 -30.726 1.00 61.55 O ATOM 0 H GLY A 27 13.520 -5.924 -30.721 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.736 -3.687 -29.964 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.219 -3.406 -31.615 1.00 31.34 H new ATOM 411 N GLY A 28 11.089 -6.094 -30.115 1.00 21.34 N ATOM 412 CA GLY A 28 9.873 -6.820 -29.797 1.00 62.33 C ATOM 413 C GLY A 28 9.292 -6.419 -28.455 1.00 50.05 C ATOM 414 O GLY A 28 9.633 -5.367 -27.912 1.00 23.31 O ATOM 0 H GLY A 28 11.952 -6.618 -29.969 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.133 -6.643 -30.577 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.083 -7.890 -29.794 1.00 62.33 H new ATOM 418 N LYS A 29 8.410 -7.255 -27.920 1.00 15.42 N ATOM 419 CA LYS A 29 7.780 -6.983 -26.633 1.00 45.44 C ATOM 420 C LYS A 29 8.372 -7.866 -25.540 1.00 12.10 C ATOM 421 O LYS A 29 8.423 -7.474 -24.374 1.00 63.53 O ATOM 422 CB LYS A 29 6.269 -7.209 -26.725 1.00 41.32 C ATOM 423 CG LYS A 29 5.578 -6.306 -27.733 1.00 72.44 C ATOM 424 CD LYS A 29 4.128 -6.059 -27.357 1.00 52.45 C ATOM 425 CE LYS A 29 3.323 -7.350 -27.360 1.00 71.52 C ATOM 426 NZ LYS A 29 1.866 -7.095 -27.540 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.114 -8.128 -28.358 1.00 15.42 H new ATOM 0 HA LYS A 29 7.971 -5.941 -26.376 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.081 -8.249 -26.993 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.826 -7.048 -25.742 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.106 -5.355 -27.793 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.626 -6.760 -28.723 1.00 72.44 H new ATOM 0 HD2 LYS A 29 4.080 -5.602 -26.369 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.685 -5.351 -28.058 1.00 52.45 H new ATOM 0 HE2 LYS A 29 3.680 -7.999 -28.160 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.486 -7.882 -26.422 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 1.352 -7.999 -27.536 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 1.520 -6.497 -26.763 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 1.708 -6.610 -28.447 1.00 53.32 H new ATOM 440 N GLU A 30 8.818 -9.058 -25.924 1.00 44.21 N ATOM 441 CA GLU A 30 9.407 -9.995 -24.975 1.00 11.54 C ATOM 442 C GLU A 30 10.339 -10.973 -25.684 1.00 2.32 C ATOM 443 O GLU A 30 9.996 -11.530 -26.726 1.00 51.51 O ATOM 444 CB GLU A 30 8.309 -10.764 -24.236 1.00 14.34 C ATOM 445 CG GLU A 30 7.606 -11.799 -25.098 1.00 21.41 C ATOM 446 CD GLU A 30 6.278 -12.240 -24.512 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.567 -11.384 -23.945 1.00 2.20 O ATOM 448 OE2 GLU A 30 5.950 -13.440 -24.621 1.00 74.24 O1- ATOM 0 H GLU A 30 8.783 -9.397 -26.885 1.00 44.21 H new ATOM 0 HA GLU A 30 9.990 -9.423 -24.253 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.745 -11.261 -23.369 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.571 -10.055 -23.859 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.441 -11.386 -26.093 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.253 -12.668 -25.217 1.00 21.41 H new ATOM 455 N VAL A 31 11.521 -11.177 -25.109 1.00 1.21 N ATOM 456 CA VAL A 31 12.504 -12.087 -25.684 1.00 20.01 C ATOM 457 C VAL A 31 12.859 -13.201 -24.705 1.00 24.24 C ATOM 458 O VAL A 31 12.993 -12.968 -23.504 1.00 60.13 O ATOM 459 CB VAL A 31 13.791 -11.342 -26.086 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.760 -12.289 -26.778 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.463 -10.155 -26.978 1.00 53.33 C ATOM 0 H VAL A 31 11.820 -10.724 -24.246 1.00 1.21 H new ATOM 0 HA VAL A 31 12.051 -12.521 -26.576 1.00 20.01 H new ATOM 0 HB VAL A 31 14.271 -10.965 -25.183 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.664 -11.746 -27.055 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.019 -13.103 -26.101 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.293 -12.697 -27.674 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.384 -9.640 -27.252 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.961 -10.505 -27.880 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.809 -9.467 -26.442 1.00 53.33 H new ATOM 471 N PHE A 32 13.009 -14.414 -25.228 1.00 63.42 N ATOM 472 CA PHE A 32 13.349 -15.566 -24.401 1.00 64.12 C ATOM 473 C PHE A 32 14.325 -16.488 -25.126 1.00 21.54 C ATOM 474 O PHE A 32 14.305 -16.588 -26.353 1.00 42.43 O ATOM 475 CB PHE A 32 12.083 -16.339 -24.024 1.00 75.51 C ATOM 476 CG PHE A 32 11.191 -15.601 -23.067 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.400 -15.683 -21.700 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.144 -14.824 -23.537 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.581 -15.004 -20.817 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.323 -14.142 -22.658 1.00 3.23 C ATOM 481 CZ PHE A 32 9.540 -14.233 -21.298 1.00 24.12 C ATOM 0 H PHE A 32 12.900 -14.624 -26.220 1.00 63.42 H new ATOM 0 HA PHE A 32 13.829 -15.202 -23.493 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.522 -16.565 -24.931 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.368 -17.293 -23.580 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.212 -16.284 -21.320 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.968 -14.751 -24.600 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.754 -15.076 -19.753 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.511 -13.538 -23.036 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.897 -13.703 -20.611 1.00 24.12 H new ATOM 491 N ILE A 33 15.177 -17.157 -24.359 1.00 13.35 N ATOM 492 CA ILE A 33 16.161 -18.071 -24.927 1.00 22.33 C ATOM 493 C ILE A 33 16.008 -19.473 -24.347 1.00 62.43 C ATOM 494 O ILE A 33 15.719 -19.638 -23.162 1.00 63.03 O ATOM 495 CB ILE A 33 17.598 -17.577 -24.677 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.602 -18.471 -25.407 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.895 -17.547 -23.185 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.045 -18.129 -25.110 1.00 22.31 C ATOM 0 H ILE A 33 15.207 -17.084 -23.342 1.00 13.35 H new ATOM 0 HA ILE A 33 15.979 -18.104 -26.001 1.00 22.33 H new ATOM 0 HB ILE A 33 17.691 -16.564 -25.067 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.419 -19.509 -25.131 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.432 -18.392 -26.481 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.914 -17.196 -23.024 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.196 -16.874 -22.688 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.787 -18.550 -22.772 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.700 -18.804 -25.662 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.245 -17.101 -25.412 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.232 -18.236 -24.041 1.00 22.31 H new ATOM 510 N SER A 34 16.208 -20.481 -25.190 1.00 25.03 N ATOM 511 CA SER A 34 16.091 -21.870 -24.763 1.00 60.30 C ATOM 512 C SER A 34 17.014 -22.770 -25.579 1.00 10.42 C ATOM 513 O SER A 34 17.145 -22.606 -26.792 1.00 43.22 O ATOM 514 CB SER A 34 14.644 -22.347 -24.897 1.00 31.12 C ATOM 515 OG SER A 34 14.410 -23.499 -24.104 1.00 65.53 O ATOM 0 H SER A 34 16.452 -20.361 -26.173 1.00 25.03 H new ATOM 0 HA SER A 34 16.389 -21.928 -23.716 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.966 -21.549 -24.594 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.427 -22.571 -25.941 1.00 31.12 H new ATOM 0 HG SER A 34 14.113 -23.226 -23.211 1.00 65.53 H new ATOM 521 N GLY A 35 17.651 -23.722 -24.904 1.00 50.42 N ATOM 522 CA GLY A 35 18.553 -24.634 -25.582 1.00 51.10 C ATOM 523 C GLY A 35 18.590 -26.003 -24.933 1.00 32.54 C ATOM 524 O GLY A 35 17.721 -26.340 -24.130 1.00 42.30 O ATOM 0 H GLY A 35 17.558 -23.878 -23.900 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.246 -24.737 -26.623 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.557 -24.210 -25.587 1.00 51.10 H new ATOM 528 N SER A 36 19.601 -26.794 -25.280 1.00 50.42 N ATOM 529 CA SER A 36 19.745 -28.136 -24.728 1.00 60.21 C ATOM 530 C SER A 36 20.199 -28.079 -23.273 1.00 34.32 C ATOM 531 O SER A 36 20.067 -29.053 -22.531 1.00 45.21 O ATOM 532 CB SER A 36 20.747 -28.945 -25.555 1.00 64.21 C ATOM 533 OG SER A 36 22.075 -28.518 -25.307 1.00 43.11 O ATOM 0 H SER A 36 20.332 -26.529 -25.940 1.00 50.42 H new ATOM 0 HA SER A 36 18.772 -28.625 -24.768 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.651 -30.004 -25.314 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.519 -28.837 -26.615 1.00 64.21 H new ATOM 0 HG SER A 36 22.696 -29.051 -25.846 1.00 43.11 H new ATOM 539 N PHE A 37 20.734 -26.931 -22.871 1.00 5.12 N ATOM 540 CA PHE A 37 21.209 -26.746 -21.504 1.00 1.32 C ATOM 541 C PHE A 37 20.066 -26.899 -20.506 1.00 52.10 C ATOM 542 O PHE A 37 20.292 -27.107 -19.314 1.00 24.42 O ATOM 543 CB PHE A 37 21.855 -25.367 -21.349 1.00 52.43 C ATOM 544 CG PHE A 37 20.966 -24.236 -21.779 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.031 -23.702 -20.907 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.065 -23.707 -23.056 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.211 -22.661 -21.300 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.248 -22.665 -23.455 1.00 24.25 C ATOM 549 CZ PHE A 37 19.319 -22.143 -22.576 1.00 63.21 C ATOM 0 H PHE A 37 20.850 -26.115 -23.472 1.00 5.12 H new ATOM 0 HA PHE A 37 21.954 -27.514 -21.297 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.135 -25.221 -20.306 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.775 -25.338 -21.933 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.942 -24.104 -19.909 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.788 -24.113 -23.747 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.487 -22.253 -20.610 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.336 -22.260 -24.452 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.678 -21.331 -22.886 1.00 63.21 H new ATOM 559 N ASN A 38 18.837 -26.793 -21.002 1.00 73.11 N ATOM 560 CA ASN A 38 17.657 -26.918 -20.154 1.00 10.42 C ATOM 561 C ASN A 38 16.678 -27.937 -20.731 1.00 21.43 C ATOM 562 O ASN A 38 15.529 -28.019 -20.301 1.00 31.21 O ATOM 563 CB ASN A 38 16.967 -25.562 -20.000 1.00 72.03 C ATOM 564 CG ASN A 38 16.040 -25.250 -21.159 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.856 -25.588 -21.130 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.575 -24.603 -22.187 1.00 44.21 N ATOM 0 H ASN A 38 18.633 -26.621 -21.986 1.00 73.11 H new ATOM 0 HA ASN A 38 17.981 -27.266 -19.173 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.398 -25.550 -19.070 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.722 -24.780 -19.922 1.00 72.03 H new ATOM 0 HD21 ASN A 38 16.000 -24.366 -22.996 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.561 -24.342 -22.168 1.00 44.21 H new ATOM 573 N ASN A 39 17.144 -28.711 -21.706 1.00 32.24 N ATOM 574 CA ASN A 39 16.310 -29.724 -22.341 1.00 20.50 C ATOM 575 C ASN A 39 15.128 -29.082 -23.062 1.00 23.03 C ATOM 576 O ASN A 39 14.116 -29.734 -23.320 1.00 14.24 O ATOM 577 CB ASN A 39 15.804 -30.725 -21.301 1.00 75.11 C ATOM 578 CG ASN A 39 15.502 -32.083 -21.904 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.192 -32.192 -23.091 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.591 -33.126 -21.087 1.00 64.12 N ATOM 0 H ASN A 39 18.094 -28.656 -22.073 1.00 32.24 H new ATOM 0 HA ASN A 39 16.919 -30.251 -23.076 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.551 -30.837 -20.515 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.903 -30.331 -20.830 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.399 -34.065 -21.436 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.851 -32.988 -20.110 1.00 64.12 H new ATOM 587 N TRP A 40 15.265 -27.800 -23.385 1.00 1.42 N ATOM 588 CA TRP A 40 14.208 -27.070 -24.076 1.00 70.44 C ATOM 589 C TRP A 40 12.873 -27.234 -23.357 1.00 14.41 C ATOM 590 O TRP A 40 11.819 -27.280 -23.990 1.00 75.11 O ATOM 591 CB TRP A 40 14.086 -27.555 -25.522 1.00 13.40 C ATOM 592 CG TRP A 40 15.392 -27.566 -26.257 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.406 -28.469 -26.114 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.824 -26.627 -27.248 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.443 -28.149 -26.958 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.110 -27.024 -27.664 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.250 -25.492 -27.825 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.828 -26.323 -28.629 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.965 -24.798 -28.783 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.242 -25.216 -29.178 1.00 62.54 C ATOM 0 H TRP A 40 16.096 -27.246 -23.180 1.00 1.42 H new ATOM 0 HA TRP A 40 14.471 -26.012 -24.076 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.667 -28.561 -25.526 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.383 -26.914 -26.054 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.395 -29.311 -25.437 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.318 -28.666 -27.044 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.265 -25.163 -27.528 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.814 -26.642 -28.934 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.531 -23.918 -29.235 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.774 -24.653 -29.931 1.00 62.54 H new ATOM 611 N SER A 41 12.926 -27.320 -22.032 1.00 25.55 N ATOM 612 CA SER A 41 11.720 -27.482 -21.228 1.00 24.31 C ATOM 613 C SER A 41 11.428 -26.217 -20.427 1.00 73.12 C ATOM 614 O SER A 41 10.611 -26.226 -19.506 1.00 72.53 O ATOM 615 CB SER A 41 11.869 -28.676 -20.282 1.00 23.43 C ATOM 616 OG SER A 41 11.962 -29.890 -21.004 1.00 55.35 O ATOM 0 H SER A 41 13.791 -27.280 -21.492 1.00 25.55 H new ATOM 0 HA SER A 41 10.884 -27.665 -21.903 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.759 -28.547 -19.666 1.00 23.43 H new ATOM 0 HB3 SER A 41 11.016 -28.716 -19.605 1.00 23.43 H new ATOM 0 HG SER A 41 12.669 -29.816 -21.679 1.00 55.35 H new ATOM 622 N THR A 42 12.101 -25.128 -20.786 1.00 74.23 N ATOM 623 CA THR A 42 11.915 -23.854 -20.102 1.00 14.13 C ATOM 624 C THR A 42 12.528 -22.709 -20.898 1.00 20.24 C ATOM 625 O THR A 42 13.527 -22.887 -21.595 1.00 53.41 O ATOM 626 CB THR A 42 12.538 -23.878 -18.693 1.00 54.43 C ATOM 627 OG1 THR A 42 12.296 -22.632 -18.030 1.00 52.32 O ATOM 628 CG2 THR A 42 14.035 -24.136 -18.768 1.00 23.45 C ATOM 0 H THR A 42 12.780 -25.103 -21.547 1.00 74.23 H new ATOM 0 HA THR A 42 10.840 -23.696 -20.013 1.00 14.13 H new ATOM 0 HB THR A 42 12.074 -24.686 -18.128 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.693 -22.655 -17.134 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.453 -24.149 -17.761 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.215 -25.098 -19.248 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.512 -23.346 -19.349 1.00 23.45 H new ATOM 636 N LYS A 43 11.924 -21.529 -20.789 1.00 1.11 N ATOM 637 CA LYS A 43 12.412 -20.352 -21.498 1.00 64.11 C ATOM 638 C LYS A 43 13.111 -19.392 -20.540 1.00 3.12 C ATOM 639 O LYS A 43 12.511 -18.917 -19.575 1.00 72.24 O ATOM 640 CB LYS A 43 11.255 -19.637 -22.199 1.00 65.14 C ATOM 641 CG LYS A 43 10.918 -20.218 -23.561 1.00 42.20 C ATOM 642 CD LYS A 43 10.297 -19.173 -24.474 1.00 2.13 C ATOM 643 CE LYS A 43 9.226 -19.781 -25.367 1.00 63.12 C ATOM 644 NZ LYS A 43 7.961 -18.994 -25.331 1.00 4.54 N1+ ATOM 0 H LYS A 43 11.096 -21.363 -20.217 1.00 1.11 H new ATOM 0 HA LYS A 43 13.133 -20.682 -22.246 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.371 -19.685 -21.564 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.507 -18.583 -22.315 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.822 -20.615 -24.022 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.229 -21.054 -23.441 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.861 -18.375 -23.873 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.073 -18.720 -25.091 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.593 -19.831 -26.392 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.026 -20.804 -25.049 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.176 -19.583 -25.673 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.768 -18.692 -24.355 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.056 -18.156 -25.940 1.00 4.54 H new ATOM 658 N ILE A 44 14.380 -19.110 -20.814 1.00 22.14 N ATOM 659 CA ILE A 44 15.159 -18.204 -19.978 1.00 54.22 C ATOM 660 C ILE A 44 14.904 -16.750 -20.357 1.00 22.01 C ATOM 661 O ILE A 44 14.928 -16.374 -21.529 1.00 31.33 O ATOM 662 CB ILE A 44 16.667 -18.495 -20.086 1.00 4.25 C ATOM 663 CG1 ILE A 44 17.048 -19.674 -19.189 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.472 -17.258 -19.715 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.440 -20.987 -19.628 1.00 62.32 C ATOM 0 H ILE A 44 14.891 -19.496 -21.608 1.00 22.14 H new ATOM 0 HA ILE A 44 14.839 -18.370 -18.949 1.00 54.22 H new ATOM 0 HB ILE A 44 16.898 -18.760 -21.118 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.133 -19.773 -19.173 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.733 -19.460 -18.168 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.536 -17.479 -19.796 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.218 -16.442 -20.392 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.239 -16.966 -18.691 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.753 -21.778 -18.947 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.353 -20.907 -19.616 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.776 -21.224 -20.638 1.00 62.32 H new ATOM 677 N PRO A 45 14.654 -15.908 -19.343 1.00 72.14 N ATOM 678 CA PRO A 45 14.392 -14.480 -19.545 1.00 74.30 C ATOM 679 C PRO A 45 15.635 -13.721 -19.998 1.00 3.41 C ATOM 680 O PRO A 45 16.732 -13.941 -19.482 1.00 31.12 O ATOM 681 CB PRO A 45 13.949 -14.002 -18.160 1.00 2.44 C ATOM 682 CG PRO A 45 14.575 -14.962 -17.208 1.00 44.21 C ATOM 683 CD PRO A 45 14.609 -16.287 -17.920 1.00 20.33 C ATOM 0 HA PRO A 45 13.653 -14.308 -20.327 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.281 -12.982 -17.969 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.863 -14.006 -18.069 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.580 -14.640 -16.933 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.998 -15.029 -16.285 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.481 -16.875 -17.633 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.729 -16.889 -17.692 1.00 20.33 H new ATOM 691 N LEU A 46 15.457 -12.827 -20.964 1.00 64.14 N ATOM 692 CA LEU A 46 16.564 -12.034 -21.486 1.00 65.52 C ATOM 693 C LEU A 46 16.599 -10.653 -20.838 1.00 32.13 C ATOM 694 O LEU A 46 15.712 -9.829 -21.064 1.00 65.14 O ATOM 695 CB LEU A 46 16.445 -11.895 -23.004 1.00 61.33 C ATOM 696 CG LEU A 46 17.518 -12.607 -23.830 1.00 32.01 C ATOM 697 CD1 LEU A 46 17.167 -14.075 -24.009 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.689 -11.928 -25.181 1.00 72.32 C ATOM 0 H LEU A 46 14.556 -12.633 -21.402 1.00 64.14 H new ATOM 0 HA LEU A 46 17.493 -12.550 -21.246 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.470 -12.275 -23.308 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.467 -10.834 -23.254 1.00 61.33 H new ATOM 0 HG LEU A 46 18.464 -12.544 -23.293 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.942 -14.565 -24.599 1.00 34.30 H new ATOM 0 HD12 LEU A 46 17.097 -14.554 -23.032 1.00 34.30 H new ATOM 0 HD13 LEU A 46 16.210 -14.160 -24.524 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.456 -12.448 -25.755 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.745 -11.959 -25.726 1.00 72.32 H new ATOM 0 HD23 LEU A 46 17.988 -10.891 -25.032 1.00 72.32 H new ATOM 710 N ILE A 47 17.628 -10.408 -20.035 1.00 14.12 N ATOM 711 CA ILE A 47 17.779 -9.126 -19.358 1.00 74.30 C ATOM 712 C ILE A 47 17.653 -7.967 -20.341 1.00 14.44 C ATOM 713 O ILE A 47 18.461 -7.825 -21.258 1.00 31.41 O ATOM 714 CB ILE A 47 19.137 -9.027 -18.638 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.304 -10.189 -17.656 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.256 -7.695 -17.913 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.235 -10.234 -16.585 1.00 44.14 C ATOM 0 H ILE A 47 18.369 -11.080 -19.837 1.00 14.12 H new ATOM 0 HA ILE A 47 16.979 -9.063 -18.620 1.00 74.30 H new ATOM 0 HB ILE A 47 19.931 -9.087 -19.382 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.291 -11.127 -18.210 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.281 -10.114 -17.179 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.221 -7.640 -17.409 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.176 -6.880 -18.633 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.457 -7.609 -17.177 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.416 -11.082 -15.925 1.00 44.14 H new ATOM 0 HD12 ILE A 47 18.262 -9.311 -16.005 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.256 -10.341 -17.052 1.00 44.14 H new ATOM 729 N LYS A 48 16.633 -7.139 -20.141 1.00 15.21 N ATOM 730 CA LYS A 48 16.400 -5.989 -21.006 1.00 3.13 C ATOM 731 C LYS A 48 17.355 -4.849 -20.666 1.00 43.44 C ATOM 732 O LYS A 48 17.308 -4.295 -19.568 1.00 42.12 O ATOM 733 CB LYS A 48 14.953 -5.511 -20.876 1.00 15.03 C ATOM 734 CG LYS A 48 14.265 -5.280 -22.211 1.00 21.42 C ATOM 735 CD LYS A 48 12.768 -5.523 -22.118 1.00 24.00 C ATOM 736 CE LYS A 48 12.456 -6.994 -21.888 1.00 64.10 C ATOM 737 NZ LYS A 48 11.110 -7.363 -22.407 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.954 -7.243 -19.387 1.00 15.21 H new ATOM 0 HA LYS A 48 16.583 -6.298 -22.035 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.386 -6.248 -20.307 1.00 15.03 H new ATOM 0 HB3 LYS A 48 14.936 -4.584 -20.303 1.00 15.03 H new ATOM 0 HG2 LYS A 48 14.448 -4.258 -22.544 1.00 21.42 H new ATOM 0 HG3 LYS A 48 14.696 -5.942 -22.962 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.352 -4.930 -21.304 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.286 -5.187 -23.036 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.214 -7.607 -22.376 1.00 64.10 H new ATOM 0 HE3 LYS A 48 12.507 -7.214 -20.822 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 10.935 -8.373 -22.231 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 10.384 -6.797 -21.923 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 11.069 -7.177 -23.430 1.00 1.32 H new ATOM 751 N SER A 49 18.220 -4.503 -21.615 1.00 43.44 N ATOM 752 CA SER A 49 19.187 -3.431 -21.413 1.00 72.14 C ATOM 753 C SER A 49 18.847 -2.223 -22.281 1.00 60.13 C ATOM 754 O SER A 49 18.180 -2.350 -23.308 1.00 5.42 O ATOM 755 CB SER A 49 20.600 -3.923 -21.735 1.00 41.12 C ATOM 756 OG SER A 49 21.573 -3.176 -21.025 1.00 21.32 O ATOM 0 H SER A 49 18.270 -4.950 -22.531 1.00 43.44 H new ATOM 0 HA SER A 49 19.145 -3.129 -20.367 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.688 -4.979 -21.478 1.00 41.12 H new ATOM 0 HB3 SER A 49 20.783 -3.839 -22.806 1.00 41.12 H new ATOM 0 HG SER A 49 22.467 -3.510 -21.246 1.00 21.32 H new ATOM 762 N HIS A 50 19.310 -1.050 -21.860 1.00 41.43 N ATOM 763 CA HIS A 50 19.056 0.181 -22.597 1.00 30.33 C ATOM 764 C HIS A 50 19.579 0.077 -24.027 1.00 5.15 C ATOM 765 O HIS A 50 19.123 0.790 -24.919 1.00 32.14 O ATOM 766 CB HIS A 50 19.709 1.369 -21.889 1.00 41.03 C ATOM 767 CG HIS A 50 18.851 1.975 -20.821 1.00 40.43 C ATOM 768 ND1 HIS A 50 19.212 1.999 -19.490 1.00 11.43 N ATOM 769 CD2 HIS A 50 17.643 2.582 -20.893 1.00 70.45 C ATOM 770 CE1 HIS A 50 18.262 2.593 -18.790 1.00 0.03 C ATOM 771 NE2 HIS A 50 17.300 2.957 -19.618 1.00 34.54 N ATOM 0 H HIS A 50 19.863 -0.927 -21.012 1.00 41.43 H new ATOM 0 HA HIS A 50 17.978 0.337 -22.633 1.00 30.33 H new ATOM 0 HB2 HIS A 50 20.651 1.045 -21.447 1.00 41.03 H new ATOM 0 HB3 HIS A 50 19.950 2.134 -22.627 1.00 41.03 H new ATOM 0 HD2 HIS A 50 17.058 2.741 -21.787 1.00 70.45 H new ATOM 0 HE1 HIS A 50 18.271 2.754 -17.722 1.00 0.03 H new ATOM 0 HE2 HIS A 50 16.441 3.439 -19.353 1.00 34.54 H new ATOM 779 N ASN A 51 20.540 -0.817 -24.236 1.00 15.24 N ATOM 780 CA ASN A 51 21.127 -1.015 -25.557 1.00 64.25 C ATOM 781 C ASN A 51 20.355 -2.070 -26.343 1.00 63.54 C ATOM 782 O ASN A 51 19.970 -1.846 -27.491 1.00 35.54 O ATOM 783 CB ASN A 51 22.594 -1.430 -25.430 1.00 63.32 C ATOM 784 CG ASN A 51 23.465 -0.314 -24.884 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.115 0.336 -23.899 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.607 -0.089 -25.523 1.00 71.10 N ATOM 0 H ASN A 51 20.929 -1.416 -23.508 1.00 15.24 H new ATOM 0 HA ASN A 51 21.069 -0.070 -26.097 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.668 -2.298 -24.775 1.00 63.32 H new ATOM 0 HB3 ASN A 51 22.969 -1.735 -26.407 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.235 0.648 -25.201 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.856 -0.653 -26.335 1.00 71.10 H new ATOM 793 N ASP A 52 20.131 -3.220 -25.717 1.00 2.33 N ATOM 794 CA ASP A 52 19.403 -4.310 -26.355 1.00 51.51 C ATOM 795 C ASP A 52 19.170 -5.455 -25.376 1.00 40.41 C ATOM 796 O ASP A 52 19.422 -5.323 -24.178 1.00 50.31 O ATOM 797 CB ASP A 52 20.171 -4.816 -27.578 1.00 20.42 C ATOM 798 CG ASP A 52 21.509 -5.425 -27.209 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.518 -6.467 -26.519 1.00 62.31 O ATOM 800 OD2 ASP A 52 22.548 -4.861 -27.611 1.00 62.02 O1- ATOM 0 H ASP A 52 20.444 -3.421 -24.767 1.00 2.33 H new ATOM 0 HA ASP A 52 18.434 -3.928 -26.676 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.568 -5.559 -28.100 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.330 -3.990 -28.271 1.00 20.42 H new ATOM 805 N PHE A 53 18.685 -6.580 -25.893 1.00 23.22 N ATOM 806 CA PHE A 53 18.415 -7.748 -25.064 1.00 74.32 C ATOM 807 C PHE A 53 19.672 -8.595 -24.890 1.00 74.52 C ATOM 808 O PHE A 53 20.472 -8.736 -25.815 1.00 63.11 O ATOM 809 CB PHE A 53 17.299 -8.593 -25.683 1.00 20.02 C ATOM 810 CG PHE A 53 16.032 -7.826 -25.929 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.065 -7.725 -24.941 1.00 41.23 C ATOM 812 CD2 PHE A 53 15.808 -7.204 -27.147 1.00 71.15 C ATOM 813 CE1 PHE A 53 13.897 -7.020 -25.165 1.00 25.13 C ATOM 814 CE2 PHE A 53 14.642 -6.497 -27.376 1.00 34.33 C ATOM 815 CZ PHE A 53 13.686 -6.404 -26.383 1.00 23.43 C ATOM 0 H PHE A 53 18.471 -6.707 -26.882 1.00 23.22 H new ATOM 0 HA PHE A 53 18.095 -7.399 -24.082 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.651 -9.010 -26.627 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.083 -9.434 -25.024 1.00 20.02 H new ATOM 0 HD1 PHE A 53 15.226 -8.202 -23.986 1.00 41.23 H new ATOM 0 HD2 PHE A 53 16.553 -7.272 -27.926 1.00 71.15 H new ATOM 0 HE1 PHE A 53 13.150 -6.951 -24.388 1.00 25.13 H new ATOM 0 HE2 PHE A 53 14.479 -6.018 -28.330 1.00 34.33 H new ATOM 0 HZ PHE A 53 12.775 -5.851 -26.559 1.00 23.43 H new ATOM 825 N VAL A 54 19.840 -9.155 -23.697 1.00 60.01 N ATOM 826 CA VAL A 54 21.000 -9.988 -23.400 1.00 21.43 C ATOM 827 C VAL A 54 20.624 -11.149 -22.487 1.00 43.31 C ATOM 828 O VAL A 54 19.837 -10.989 -21.554 1.00 73.14 O ATOM 829 CB VAL A 54 22.124 -9.170 -22.735 1.00 12.13 C ATOM 830 CG1 VAL A 54 23.416 -9.971 -22.696 1.00 42.10 C ATOM 831 CG2 VAL A 54 22.326 -7.851 -23.467 1.00 4.03 C ATOM 0 H VAL A 54 19.188 -9.047 -22.920 1.00 60.01 H new ATOM 0 HA VAL A 54 21.360 -10.379 -24.352 1.00 21.43 H new ATOM 0 HB VAL A 54 21.831 -8.949 -21.709 1.00 12.13 H new ATOM 0 HG11 VAL A 54 24.198 -9.377 -22.223 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.260 -10.886 -22.125 1.00 42.10 H new ATOM 0 HG13 VAL A 54 23.718 -10.225 -23.712 1.00 42.10 H new ATOM 0 HG21 VAL A 54 23.123 -7.286 -22.985 1.00 4.03 H new ATOM 0 HG22 VAL A 54 22.597 -8.048 -24.504 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.402 -7.273 -23.437 1.00 4.03 H new ATOM 841 N ALA A 55 21.192 -12.319 -22.762 1.00 4.51 N ATOM 842 CA ALA A 55 20.918 -13.508 -21.963 1.00 54.01 C ATOM 843 C ALA A 55 22.178 -13.998 -21.259 1.00 32.03 C ATOM 844 O ALA A 55 23.262 -14.006 -21.842 1.00 42.01 O ATOM 845 CB ALA A 55 20.337 -14.609 -22.839 1.00 40.42 C ATOM 0 H ALA A 55 21.844 -12.469 -23.532 1.00 4.51 H new ATOM 0 HA ALA A 55 20.187 -13.243 -21.199 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.137 -15.491 -22.230 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.408 -14.262 -23.291 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.049 -14.864 -23.624 1.00 40.42 H new ATOM 851 N ILE A 56 22.027 -14.405 -20.003 1.00 34.40 N ATOM 852 CA ILE A 56 23.154 -14.897 -19.220 1.00 21.40 C ATOM 853 C ILE A 56 22.758 -16.115 -18.393 1.00 72.24 C ATOM 854 O ILE A 56 21.803 -16.070 -17.618 1.00 72.43 O ATOM 855 CB ILE A 56 23.704 -13.809 -18.279 1.00 50.33 C ATOM 856 CG1 ILE A 56 24.138 -12.582 -19.083 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.866 -14.353 -17.463 1.00 41.55 C ATOM 858 CD1 ILE A 56 25.280 -12.856 -20.035 1.00 74.44 C ATOM 0 H ILE A 56 21.136 -14.404 -19.506 1.00 34.40 H new ATOM 0 HA ILE A 56 23.932 -15.179 -19.930 1.00 21.40 H new ATOM 0 HB ILE A 56 22.913 -13.509 -17.592 1.00 50.33 H new ATOM 0 HG12 ILE A 56 23.285 -12.209 -19.650 1.00 71.52 H new ATOM 0 HG13 ILE A 56 24.433 -11.791 -18.393 1.00 71.52 H new ATOM 0 HG21 ILE A 56 25.244 -13.572 -16.803 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.527 -15.200 -16.867 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.661 -14.677 -18.134 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.534 -11.942 -20.571 1.00 74.44 H new ATOM 0 HD12 ILE A 56 26.148 -13.200 -19.473 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.982 -13.624 -20.749 1.00 74.44 H new ATOM 870 N LEU A 57 23.499 -17.205 -18.562 1.00 23.15 N ATOM 871 CA LEU A 57 23.228 -18.437 -17.830 1.00 22.42 C ATOM 872 C LEU A 57 24.495 -19.273 -17.682 1.00 52.54 C ATOM 873 O LEU A 57 25.264 -19.426 -18.630 1.00 60.35 O ATOM 874 CB LEU A 57 22.147 -19.250 -18.545 1.00 74.01 C ATOM 875 CG LEU A 57 22.062 -19.069 -20.060 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.538 -20.335 -20.721 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.180 -17.879 -20.407 1.00 20.50 C ATOM 0 H LEU A 57 24.293 -17.260 -19.200 1.00 23.15 H new ATOM 0 HA LEU A 57 22.874 -18.169 -16.834 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.316 -20.306 -18.335 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.180 -18.990 -18.114 1.00 74.01 H new ATOM 0 HG LEU A 57 23.065 -18.874 -20.440 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.484 -20.187 -21.800 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.210 -21.165 -20.502 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.544 -20.562 -20.336 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.131 -17.766 -21.490 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.177 -18.043 -20.014 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.599 -16.975 -19.966 1.00 20.50 H new ATOM 889 N ASP A 58 24.704 -19.813 -16.486 1.00 34.22 N ATOM 890 CA ASP A 58 25.876 -20.637 -16.214 1.00 0.11 C ATOM 891 C ASP A 58 25.748 -22.002 -16.885 1.00 63.43 C ATOM 892 O ASP A 58 24.993 -22.861 -16.429 1.00 41.24 O ATOM 893 CB ASP A 58 26.064 -20.812 -14.707 1.00 24.31 C ATOM 894 CG ASP A 58 24.782 -21.217 -14.005 1.00 42.33 C ATOM 895 OD1 ASP A 58 24.015 -20.316 -13.606 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 24.547 -22.434 -13.856 1.00 2.41 O ATOM 0 H ASP A 58 24.077 -19.695 -15.690 1.00 34.22 H new ATOM 0 HA ASP A 58 26.749 -20.130 -16.625 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.828 -21.567 -14.525 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.430 -19.879 -14.279 1.00 24.31 H new ATOM 901 N LEU A 59 26.491 -22.193 -17.969 1.00 33.22 N ATOM 902 CA LEU A 59 26.462 -23.454 -18.703 1.00 60.20 C ATOM 903 C LEU A 59 27.792 -24.189 -18.579 1.00 1.03 C ATOM 904 O LEU A 59 28.848 -23.585 -18.390 1.00 70.11 O ATOM 905 CB LEU A 59 26.142 -23.200 -20.178 1.00 32.04 C ATOM 906 CG LEU A 59 24.981 -22.246 -20.459 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.014 -21.775 -21.904 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.651 -22.918 -20.145 1.00 1.32 C ATOM 0 H LEU A 59 27.121 -21.492 -18.359 1.00 33.22 H new ATOM 0 HA LEU A 59 25.682 -24.080 -18.270 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.036 -22.804 -20.660 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.922 -24.157 -20.651 1.00 32.04 H new ATOM 0 HG LEU A 59 25.087 -21.375 -19.813 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.180 -21.097 -22.085 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.953 -21.255 -22.096 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.933 -22.635 -22.569 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.836 -22.225 -20.351 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.537 -23.807 -20.766 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.627 -23.204 -19.094 1.00 1.32 H new ATOM 920 N PRO A 60 27.743 -25.524 -18.689 1.00 53.42 N ATOM 921 CA PRO A 60 28.935 -26.371 -18.595 1.00 72.32 C ATOM 922 C PRO A 60 29.859 -26.208 -19.796 1.00 43.23 C ATOM 923 O PRO A 60 29.402 -25.970 -20.914 1.00 43.11 O ATOM 924 CB PRO A 60 28.362 -27.790 -18.550 1.00 45.22 C ATOM 925 CG PRO A 60 27.041 -27.685 -19.232 1.00 34.34 C ATOM 926 CD PRO A 60 26.519 -26.311 -18.915 1.00 31.23 C ATOM 0 HA PRO A 60 29.547 -26.117 -17.729 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.016 -28.498 -19.060 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.251 -28.140 -17.524 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.145 -27.824 -20.308 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.356 -28.454 -18.876 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.927 -25.907 -19.736 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.878 -26.318 -18.034 1.00 31.23 H new ATOM 934 N GLU A 61 31.161 -26.338 -19.560 1.00 34.34 N ATOM 935 CA GLU A 61 32.148 -26.204 -20.625 1.00 51.40 C ATOM 936 C GLU A 61 31.919 -27.250 -21.713 1.00 71.00 C ATOM 937 O GLU A 61 32.165 -28.437 -21.511 1.00 52.22 O ATOM 938 CB GLU A 61 33.562 -26.343 -20.060 1.00 14.52 C ATOM 939 CG GLU A 61 34.640 -26.431 -21.128 1.00 12.24 C ATOM 940 CD GLU A 61 35.196 -27.833 -21.282 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.482 -28.474 -20.248 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.345 -28.291 -22.434 1.00 14.15 O1- ATOM 0 H GLU A 61 31.557 -26.536 -18.641 1.00 34.34 H new ATOM 0 HA GLU A 61 32.036 -25.214 -21.067 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.771 -25.490 -19.414 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.608 -27.235 -19.435 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.229 -26.101 -22.082 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.451 -25.748 -20.877 1.00 12.24 H new ATOM 949 N GLY A 62 31.443 -26.796 -22.869 1.00 75.14 N ATOM 950 CA GLY A 62 31.188 -27.704 -23.973 1.00 3.44 C ATOM 951 C GLY A 62 30.501 -27.020 -25.139 1.00 3.40 C ATOM 952 O GLY A 62 30.829 -25.884 -25.480 1.00 30.13 O ATOM 0 H GLY A 62 31.230 -25.817 -23.061 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.131 -28.133 -24.312 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.569 -28.530 -23.624 1.00 3.44 H new ATOM 956 N GLU A 63 29.548 -27.713 -25.752 1.00 44.04 N ATOM 957 CA GLU A 63 28.816 -27.166 -26.889 1.00 31.31 C ATOM 958 C GLU A 63 27.320 -27.440 -26.755 1.00 34.40 C ATOM 959 O GLU A 63 26.939 -28.563 -26.434 1.00 55.14 O ATOM 960 CB GLU A 63 29.340 -27.763 -28.196 1.00 71.45 C ATOM 961 CG GLU A 63 28.892 -27.003 -29.434 1.00 41.01 C ATOM 962 CD GLU A 63 29.090 -27.798 -30.710 1.00 64.35 C ATOM 963 OE1 GLU A 63 28.227 -28.643 -31.023 1.00 63.41 O1- ATOM 964 OE2 GLU A 63 30.110 -27.574 -31.396 1.00 13.32 O ATOM 0 H GLU A 63 29.264 -28.654 -25.481 1.00 44.04 H new ATOM 0 HA GLU A 63 28.971 -26.087 -26.903 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.429 -27.782 -28.166 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.005 -28.797 -28.274 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.839 -26.741 -29.333 1.00 41.01 H new ATOM 0 HG3 GLU A 63 29.448 -26.068 -29.503 1.00 41.01 H new ATOM 971 N HIS A 64 26.515 -26.416 -27.001 1.00 11.42 N ATOM 972 CA HIS A 64 25.073 -26.558 -26.904 1.00 43.11 C ATOM 973 C HIS A 64 24.400 -25.718 -27.992 1.00 20.11 C ATOM 974 O HIS A 64 25.018 -24.871 -28.635 1.00 22.41 O ATOM 975 CB HIS A 64 24.585 -26.207 -25.497 1.00 0.52 C ATOM 976 CG HIS A 64 25.697 -25.949 -24.508 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.524 -24.875 -24.358 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.057 -26.859 -23.530 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.344 -25.116 -23.342 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.056 -26.346 -22.828 1.00 33.03 N flip ATOM 0 H HIS A 64 26.835 -25.485 -27.267 1.00 11.42 H new ATOM 0 HA HIS A 64 24.795 -27.598 -27.073 1.00 43.11 H new ATOM 0 HB2 HIS A 64 23.951 -25.323 -25.554 1.00 0.52 H new ATOM 0 HB3 HIS A 64 23.964 -27.022 -25.125 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.601 -27.824 -23.367 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.112 -24.448 -22.982 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.527 -26.792 -22.041 1.00 33.03 H new ATOM 988 N GLN A 65 23.111 -25.976 -28.182 1.00 1.42 N ATOM 989 CA GLN A 65 22.329 -25.260 -29.183 1.00 75.43 C ATOM 990 C GLN A 65 21.137 -24.556 -28.543 1.00 40.13 C ATOM 991 O GLN A 65 20.355 -25.172 -27.818 1.00 52.02 O ATOM 992 CB GLN A 65 21.845 -26.223 -30.269 1.00 73.02 C ATOM 993 CG GLN A 65 22.821 -26.379 -31.424 1.00 71.31 C ATOM 994 CD GLN A 65 22.886 -27.801 -31.945 1.00 43.32 C ATOM 995 OE1 GLN A 65 23.732 -28.619 -31.330 1.00 5.51 O flip ATOM 996 NE2 GLN A 65 22.184 -28.161 -32.890 1.00 53.03 N flip ATOM 0 H GLN A 65 22.586 -26.675 -27.657 1.00 1.42 H new ATOM 0 HA GLN A 65 22.972 -24.506 -29.637 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.665 -27.201 -29.822 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.890 -25.869 -30.657 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.528 -25.712 -32.235 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.814 -26.069 -31.100 1.00 71.31 H new ATOM 0 HE21 GLN A 65 21.547 -27.499 -33.334 1.00 53.03 H new ATOM 0 HE22 GLN A 65 22.239 -29.121 -33.229 1.00 53.03 H new ATOM 1005 N TYR A 66 21.005 -23.262 -28.815 1.00 4.15 N ATOM 1006 CA TYR A 66 19.909 -22.474 -28.262 1.00 72.34 C ATOM 1007 C TYR A 66 19.066 -21.859 -29.375 1.00 74.34 C ATOM 1008 O TYR A 66 19.396 -21.971 -30.556 1.00 1.32 O ATOM 1009 CB TYR A 66 20.455 -21.372 -27.352 1.00 10.24 C ATOM 1010 CG TYR A 66 21.281 -20.338 -28.082 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.606 -20.589 -28.416 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.736 -19.110 -28.437 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.365 -19.645 -29.082 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.487 -18.161 -29.104 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.802 -18.434 -29.424 1.00 22.23 C ATOM 1016 OH TYR A 66 23.554 -17.493 -30.088 1.00 12.33 O ATOM 0 H TYR A 66 21.642 -22.737 -29.414 1.00 4.15 H new ATOM 0 HA TYR A 66 19.275 -23.139 -27.676 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.621 -20.875 -26.857 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.065 -21.826 -26.571 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.050 -21.537 -28.151 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.708 -18.894 -28.187 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.394 -19.855 -29.333 1.00 2.40 H new ATOM 0 HE2 TYR A 66 21.048 -17.212 -29.373 1.00 71.43 H new ATOM 0 HH TYR A 66 23.188 -16.601 -29.916 1.00 12.33 H new ATOM 1026 N LYS A 67 17.973 -21.207 -28.989 1.00 53.20 N ATOM 1027 CA LYS A 67 17.082 -20.571 -29.951 1.00 62.12 C ATOM 1028 C LYS A 67 16.404 -19.350 -29.339 1.00 21.43 C ATOM 1029 O LYS A 67 16.075 -19.339 -28.153 1.00 63.05 O ATOM 1030 CB LYS A 67 16.024 -21.567 -30.433 1.00 52.15 C ATOM 1031 CG LYS A 67 15.137 -21.023 -31.540 1.00 4.31 C ATOM 1032 CD LYS A 67 15.852 -21.029 -32.881 1.00 75.43 C ATOM 1033 CE LYS A 67 14.970 -20.467 -33.985 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.882 -21.411 -34.361 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.684 -21.106 -28.016 1.00 53.20 H new ATOM 0 HA LYS A 67 17.680 -20.245 -30.802 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.522 -22.470 -30.788 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.400 -21.858 -29.588 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.229 -21.623 -31.608 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.830 -20.006 -31.295 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.767 -20.441 -32.810 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.147 -22.048 -33.133 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.534 -19.523 -33.657 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.580 -20.249 -34.861 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.163 -20.908 -34.919 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.277 -22.189 -34.927 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.444 -21.797 -33.500 1.00 33.33 H new ATOM 1048 N PHE A 68 16.197 -18.322 -30.157 1.00 0.13 N ATOM 1049 CA PHE A 68 15.557 -17.095 -29.696 1.00 34.41 C ATOM 1050 C PHE A 68 14.046 -17.162 -29.895 1.00 74.51 C ATOM 1051 O PHE A 68 13.557 -17.831 -30.805 1.00 43.04 O ATOM 1052 CB PHE A 68 16.128 -15.886 -30.440 1.00 21.54 C ATOM 1053 CG PHE A 68 17.488 -15.472 -29.957 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.749 -15.351 -28.601 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.506 -15.203 -30.857 1.00 24.44 C ATOM 1056 CE1 PHE A 68 19.000 -14.970 -28.152 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.759 -14.822 -30.415 1.00 64.40 C ATOM 1058 CZ PHE A 68 20.006 -14.705 -29.061 1.00 60.24 C ATOM 0 H PHE A 68 16.463 -18.315 -31.142 1.00 0.13 H new ATOM 0 HA PHE A 68 15.761 -16.987 -28.631 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.184 -16.117 -31.504 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.442 -15.046 -30.332 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.966 -15.557 -27.887 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.318 -15.292 -31.917 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.190 -14.880 -27.093 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.544 -14.616 -31.128 1.00 64.40 H new ATOM 0 HZ PHE A 68 20.984 -14.407 -28.713 1.00 60.24 H new ATOM 1068 N PHE A 69 13.310 -16.464 -29.036 1.00 64.40 N ATOM 1069 CA PHE A 69 11.855 -16.444 -29.115 1.00 63.41 C ATOM 1070 C PHE A 69 11.320 -15.027 -28.939 1.00 34.32 C ATOM 1071 O PHE A 69 11.128 -14.557 -27.817 1.00 62.44 O ATOM 1072 CB PHE A 69 11.253 -17.364 -28.050 1.00 5.13 C ATOM 1073 CG PHE A 69 9.751 -17.402 -28.071 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.079 -18.292 -28.895 1.00 14.24 C ATOM 1075 CD2 PHE A 69 9.012 -16.550 -27.267 1.00 42.11 C ATOM 1076 CE1 PHE A 69 7.697 -18.329 -28.915 1.00 13.20 C ATOM 1077 CE2 PHE A 69 7.630 -16.584 -27.284 1.00 52.12 C ATOM 1078 CZ PHE A 69 6.972 -17.473 -28.110 1.00 3.22 C ATOM 0 H PHE A 69 13.698 -15.904 -28.277 1.00 64.40 H new ATOM 0 HA PHE A 69 11.565 -16.803 -30.102 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.636 -18.374 -28.195 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.587 -17.035 -27.066 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.641 -18.963 -29.528 1.00 14.24 H new ATOM 0 HD2 PHE A 69 9.521 -15.851 -26.620 1.00 42.11 H new ATOM 0 HE1 PHE A 69 7.185 -19.027 -29.560 1.00 13.20 H new ATOM 0 HE2 PHE A 69 7.065 -15.915 -26.651 1.00 52.12 H new ATOM 0 HZ PHE A 69 5.892 -17.499 -28.127 1.00 3.22 H new ATOM 1088 N VAL A 70 11.081 -14.348 -30.057 1.00 51.23 N ATOM 1089 CA VAL A 70 10.568 -12.984 -30.029 1.00 53.12 C ATOM 1090 C VAL A 70 9.277 -12.866 -30.830 1.00 13.23 C ATOM 1091 O VAL A 70 9.065 -13.598 -31.797 1.00 23.10 O ATOM 1092 CB VAL A 70 11.599 -11.984 -30.587 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.132 -10.554 -30.364 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.961 -12.214 -29.951 1.00 41.35 C ATOM 0 H VAL A 70 11.235 -14.721 -30.994 1.00 51.23 H new ATOM 0 HA VAL A 70 10.368 -12.743 -28.985 1.00 53.12 H new ATOM 0 HB VAL A 70 11.692 -12.146 -31.661 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.873 -9.863 -30.765 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.180 -10.399 -30.871 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.008 -10.374 -29.296 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.677 -11.499 -30.356 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.886 -12.080 -28.872 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.297 -13.228 -30.168 1.00 41.35 H new ATOM 1104 N ASP A 71 8.416 -11.939 -30.423 1.00 3.15 N ATOM 1105 CA ASP A 71 7.145 -11.722 -31.103 1.00 54.03 C ATOM 1106 C ASP A 71 6.278 -12.976 -31.045 1.00 20.14 C ATOM 1107 O ASP A 71 5.571 -13.300 -31.999 1.00 62.44 O ATOM 1108 CB ASP A 71 7.384 -11.320 -32.559 1.00 64.34 C ATOM 1109 CG ASP A 71 6.148 -10.724 -33.205 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.868 -9.531 -32.963 1.00 63.53 O ATOM 1111 OD2 ASP A 71 5.463 -11.451 -33.954 1.00 51.33 O1- ATOM 0 H ASP A 71 8.576 -11.325 -29.624 1.00 3.15 H new ATOM 0 HA ASP A 71 6.620 -10.914 -30.592 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.199 -10.597 -32.604 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.702 -12.194 -33.127 1.00 64.34 H new ATOM 1116 N GLY A 72 6.338 -13.679 -29.918 1.00 2.30 N ATOM 1117 CA GLY A 72 5.554 -14.890 -29.757 1.00 30.24 C ATOM 1118 C GLY A 72 5.904 -15.948 -30.784 1.00 72.25 C ATOM 1119 O GLY A 72 5.040 -16.711 -31.217 1.00 21.11 O ATOM 0 H GLY A 72 6.915 -13.432 -29.114 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.714 -15.292 -28.757 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.495 -14.647 -29.837 1.00 30.24 H new ATOM 1123 N GLN A 73 7.173 -15.995 -31.175 1.00 45.23 N ATOM 1124 CA GLN A 73 7.634 -16.967 -32.160 1.00 20.11 C ATOM 1125 C GLN A 73 9.138 -17.192 -32.039 1.00 25.04 C ATOM 1126 O GLN A 73 9.873 -16.310 -31.596 1.00 32.35 O ATOM 1127 CB GLN A 73 7.288 -16.495 -33.573 1.00 33.33 C ATOM 1128 CG GLN A 73 8.032 -15.237 -33.994 1.00 51.12 C ATOM 1129 CD GLN A 73 7.928 -14.968 -35.482 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.042 -14.243 -35.933 1.00 52.31 O ATOM 1131 NE2 GLN A 73 8.838 -15.554 -36.253 1.00 32.52 N ATOM 0 H GLN A 73 7.901 -15.372 -30.825 1.00 45.23 H new ATOM 0 HA GLN A 73 7.127 -17.912 -31.967 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.514 -17.294 -34.279 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.215 -16.310 -33.633 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.634 -14.383 -33.446 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.082 -15.331 -33.718 1.00 51.12 H new ATOM 0 HE21 GLN A 73 9.555 -16.147 -35.835 1.00 32.52 H new ATOM 0 HE22 GLN A 73 8.820 -15.410 -37.263 1.00 32.52 H new ATOM 1140 N TRP A 74 9.586 -18.378 -32.437 1.00 23.22 N ATOM 1141 CA TRP A 74 11.003 -18.718 -32.373 1.00 12.20 C ATOM 1142 C TRP A 74 11.749 -18.170 -33.584 1.00 60.11 C ATOM 1143 O TRP A 74 11.495 -18.575 -34.718 1.00 24.22 O ATOM 1144 CB TRP A 74 11.180 -20.235 -32.293 1.00 50.12 C ATOM 1145 CG TRP A 74 10.677 -20.825 -31.011 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.461 -21.410 -30.799 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.377 -20.886 -29.763 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.363 -21.831 -29.494 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.525 -21.521 -28.838 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.640 -20.468 -29.337 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.898 -21.745 -27.516 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.008 -20.690 -28.024 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.140 -21.325 -27.126 1.00 52.42 C ATOM 0 H TRP A 74 8.990 -19.119 -32.807 1.00 23.22 H new ATOM 0 HA TRP A 74 11.421 -18.262 -31.476 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.656 -20.699 -33.128 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.237 -20.477 -32.406 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.690 -21.525 -31.547 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.556 -22.298 -29.081 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.317 -19.980 -30.022 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.230 -22.234 -26.822 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.981 -20.369 -27.684 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.458 -21.486 -26.106 1.00 52.42 H new ATOM 1164 N VAL A 75 12.673 -17.246 -33.336 1.00 42.22 N ATOM 1165 CA VAL A 75 13.458 -16.643 -34.407 1.00 53.15 C ATOM 1166 C VAL A 75 14.947 -16.898 -34.207 1.00 42.43 C ATOM 1167 O VAL A 75 15.363 -17.434 -33.179 1.00 15.11 O ATOM 1168 CB VAL A 75 13.215 -15.125 -34.494 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.750 -14.833 -34.780 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.662 -14.440 -33.210 1.00 33.52 C ATOM 0 H VAL A 75 12.896 -16.899 -32.403 1.00 42.22 H new ATOM 0 HA VAL A 75 13.135 -17.109 -35.338 1.00 53.15 H new ATOM 0 HB VAL A 75 13.807 -14.727 -35.318 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.598 -13.755 -34.838 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.466 -15.291 -35.728 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.134 -15.244 -33.980 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.483 -13.368 -33.288 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.098 -14.841 -32.368 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.725 -14.620 -33.053 1.00 33.52 H new ATOM 1180 N HIS A 76 15.746 -16.510 -35.196 1.00 54.12 N ATOM 1181 CA HIS A 76 17.191 -16.696 -35.128 1.00 10.02 C ATOM 1182 C HIS A 76 17.911 -15.690 -36.020 1.00 43.22 C ATOM 1183 O HIS A 76 17.328 -15.151 -36.961 1.00 33.44 O ATOM 1184 CB HIS A 76 17.563 -18.120 -35.543 1.00 62.13 C ATOM 1185 CG HIS A 76 17.393 -18.381 -37.008 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.122 -17.970 -38.071 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.369 -19.148 -37.521 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.533 -18.492 -39.196 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.477 -19.199 -38.838 1.00 14.42 N flip ATOM 0 H HIS A 76 15.418 -16.065 -36.053 1.00 54.12 H new ATOM 0 HA HIS A 76 17.505 -16.532 -34.097 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.600 -18.311 -35.266 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.949 -18.825 -34.983 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.599 -19.632 -36.938 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.878 -18.348 -40.209 1.00 52.22 H new ATOM 0 HE2 HIS A 76 15.851 -19.699 -39.469 1.00 14.42 H new ATOM 1197 N ASP A 77 19.180 -15.438 -35.717 1.00 61.11 N ATOM 1198 CA ASP A 77 19.979 -14.496 -36.490 1.00 41.41 C ATOM 1199 C ASP A 77 20.842 -15.227 -37.515 1.00 24.02 C ATOM 1200 O ASP A 77 21.499 -16.223 -37.210 1.00 23.04 O ATOM 1201 CB ASP A 77 20.864 -13.662 -35.563 1.00 44.44 C ATOM 1202 CG ASP A 77 20.064 -12.939 -34.495 1.00 1.12 C ATOM 1203 OD1 ASP A 77 19.856 -13.525 -33.413 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 19.647 -11.788 -34.744 1.00 34.33 O ATOM 0 H ASP A 77 19.677 -15.874 -34.940 1.00 61.11 H new ATOM 0 HA ASP A 77 19.297 -13.833 -37.022 1.00 41.41 H new ATOM 0 HB2 ASP A 77 21.599 -14.311 -35.086 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.419 -12.933 -36.154 1.00 44.44 H new ATOM 1209 N PRO A 78 20.840 -14.725 -38.758 1.00 15.43 N ATOM 1210 CA PRO A 78 21.617 -15.315 -39.851 1.00 4.43 C ATOM 1211 C PRO A 78 23.118 -15.118 -39.669 1.00 61.31 C ATOM 1212 O PRO A 78 23.924 -15.859 -40.232 1.00 23.50 O ATOM 1213 CB PRO A 78 21.124 -14.556 -41.087 1.00 61.03 C ATOM 1214 CG PRO A 78 20.634 -13.252 -40.558 1.00 70.11 C ATOM 1215 CD PRO A 78 20.080 -13.541 -39.191 1.00 31.15 C ATOM 0 HA PRO A 78 21.478 -16.394 -39.913 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.927 -14.414 -41.811 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.329 -15.101 -41.596 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.443 -12.524 -40.505 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.868 -12.830 -41.208 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.225 -12.700 -38.513 1.00 31.15 H new ATOM 0 HD3 PRO A 78 19.009 -13.741 -39.226 1.00 31.15 H new ATOM 1223 N SER A 79 23.486 -14.115 -38.878 1.00 34.01 N ATOM 1224 CA SER A 79 24.892 -13.820 -38.624 1.00 21.01 C ATOM 1225 C SER A 79 25.499 -14.843 -37.670 1.00 1.21 C ATOM 1226 O SER A 79 26.692 -15.136 -37.734 1.00 44.53 O ATOM 1227 CB SER A 79 25.040 -12.412 -38.043 1.00 32.35 C ATOM 1228 OG SER A 79 25.184 -11.448 -39.072 1.00 23.51 O ATOM 0 H SER A 79 22.831 -13.494 -38.403 1.00 34.01 H new ATOM 0 HA SER A 79 25.427 -13.874 -39.572 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.167 -12.172 -37.435 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.907 -12.377 -37.383 1.00 32.35 H new ATOM 0 HG SER A 79 25.275 -10.557 -38.675 1.00 23.51 H new ATOM 1234 N GLU A 80 24.667 -15.385 -36.785 1.00 41.40 N ATOM 1235 CA GLU A 80 25.122 -16.375 -35.817 1.00 72.34 C ATOM 1236 C GLU A 80 25.183 -17.764 -36.447 1.00 21.05 C ATOM 1237 O GLU A 80 24.564 -18.034 -37.476 1.00 74.53 O ATOM 1238 CB GLU A 80 24.194 -16.395 -34.601 1.00 2.30 C ATOM 1239 CG GLU A 80 24.594 -15.411 -33.514 1.00 10.13 C ATOM 1240 CD GLU A 80 23.779 -15.580 -32.246 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.633 -16.070 -32.337 1.00 21.22 O1- ATOM 1242 OE2 GLU A 80 24.287 -15.221 -31.163 1.00 15.10 O ATOM 0 H GLU A 80 23.675 -15.155 -36.719 1.00 41.40 H new ATOM 0 HA GLU A 80 26.125 -16.097 -35.495 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.178 -16.171 -34.926 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.180 -17.401 -34.182 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.651 -15.541 -33.282 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.472 -14.394 -33.887 1.00 10.13 H new ATOM 1249 N PRO A 81 25.946 -18.666 -35.815 1.00 13.13 N ATOM 1250 CA PRO A 81 26.108 -20.042 -36.294 1.00 34.44 C ATOM 1251 C PRO A 81 24.834 -20.864 -36.135 1.00 52.34 C ATOM 1252 O PRO A 81 24.685 -21.619 -35.173 1.00 32.21 O ATOM 1253 CB PRO A 81 27.219 -20.601 -35.404 1.00 71.33 C ATOM 1254 CG PRO A 81 27.151 -19.788 -34.157 1.00 70.53 C ATOM 1255 CD PRO A 81 26.712 -18.414 -34.583 1.00 61.31 C ATOM 0 HA PRO A 81 26.339 -20.078 -37.359 1.00 34.44 H new ATOM 0 HB2 PRO A 81 27.064 -21.660 -35.195 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.194 -20.510 -35.883 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.446 -20.220 -33.447 1.00 70.53 H new ATOM 0 HG3 PRO A 81 28.121 -19.752 -33.661 1.00 70.53 H new ATOM 0 HD2 PRO A 81 26.099 -17.934 -33.820 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.564 -17.759 -34.767 1.00 61.31 H new ATOM 1263 N VAL A 82 23.915 -20.715 -37.085 1.00 53.33 N ATOM 1264 CA VAL A 82 22.653 -21.445 -37.050 1.00 75.02 C ATOM 1265 C VAL A 82 22.759 -22.760 -37.813 1.00 72.11 C ATOM 1266 O VAL A 82 23.640 -22.933 -38.657 1.00 30.20 O ATOM 1267 CB VAL A 82 21.505 -20.610 -37.646 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.306 -19.330 -36.848 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.777 -20.298 -39.109 1.00 55.33 C ATOM 0 H VAL A 82 24.021 -20.095 -37.888 1.00 53.33 H new ATOM 0 HA VAL A 82 22.435 -21.652 -36.002 1.00 75.02 H new ATOM 0 HB VAL A 82 20.586 -21.194 -37.587 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.491 -18.753 -37.284 1.00 54.42 H new ATOM 0 HG12 VAL A 82 21.063 -19.579 -35.815 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.222 -18.740 -36.873 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.955 -19.707 -39.514 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.706 -19.734 -39.194 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.865 -21.229 -39.669 1.00 55.33 H new ATOM 1279 N VAL A 83 21.855 -23.688 -37.512 1.00 45.51 N ATOM 1280 CA VAL A 83 21.845 -24.988 -38.170 1.00 23.24 C ATOM 1281 C VAL A 83 20.456 -25.615 -38.125 1.00 60.32 C ATOM 1282 O VAL A 83 19.731 -25.476 -37.140 1.00 51.55 O ATOM 1283 CB VAL A 83 22.853 -25.954 -37.520 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.555 -26.120 -36.037 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.834 -27.299 -38.229 1.00 63.11 C ATOM 0 H VAL A 83 21.120 -23.562 -36.816 1.00 45.51 H new ATOM 0 HA VAL A 83 22.132 -24.820 -39.208 1.00 23.24 H new ATOM 0 HB VAL A 83 23.852 -25.530 -37.620 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.278 -26.806 -35.595 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.624 -25.152 -35.541 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.550 -26.521 -35.911 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.552 -27.969 -37.757 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.836 -27.731 -38.162 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.101 -27.162 -39.277 1.00 63.11 H new ATOM 1377 N ILE A 90 15.385 -24.681 -37.406 1.00 10.10 N ATOM 1378 CA ILE A 90 16.647 -23.958 -37.313 1.00 62.35 C ATOM 1379 C ILE A 90 16.941 -23.547 -35.875 1.00 75.12 C ATOM 1380 O ILE A 90 16.039 -23.169 -35.130 1.00 35.51 O ATOM 1381 CB ILE A 90 16.643 -22.701 -38.203 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.212 -23.059 -39.628 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.019 -22.052 -38.208 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.188 -23.966 -40.344 1.00 52.12 C ATOM 0 HA ILE A 90 17.425 -24.637 -37.661 1.00 62.35 H new ATOM 0 HB ILE A 90 15.927 -21.987 -37.795 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.236 -23.544 -39.593 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.091 -22.141 -40.204 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.001 -21.165 -38.841 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.290 -21.767 -37.192 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.753 -22.759 -38.595 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.819 -24.178 -41.347 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.159 -23.475 -40.411 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.291 -24.899 -39.790 1.00 52.12 H new ATOM 1396 N ASN A 91 18.212 -23.623 -35.491 1.00 74.31 N ATOM 1397 CA ASN A 91 18.626 -23.256 -34.141 1.00 40.23 C ATOM 1398 C ASN A 91 20.049 -22.707 -34.139 1.00 12.32 C ATOM 1399 O ASN A 91 20.837 -22.991 -35.040 1.00 61.32 O ATOM 1400 CB ASN A 91 18.534 -24.468 -33.212 1.00 75.11 C ATOM 1401 CG ASN A 91 19.032 -25.741 -33.869 1.00 53.20 C ATOM 1402 OD1 ASN A 91 20.168 -26.243 -33.401 1.00 42.42 O flip ATOM 1403 ND2 ASN A 91 18.402 -26.266 -34.788 1.00 13.21 N flip ATOM 0 H ASN A 91 18.972 -23.935 -36.095 1.00 74.31 H new ATOM 0 HA ASN A 91 17.955 -22.477 -33.780 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.116 -24.276 -32.311 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.499 -24.605 -32.900 1.00 75.11 H new ATOM 0 HD21 ASN A 91 17.533 -25.845 -35.116 1.00 13.21 H new ATOM 0 HD22 ASN A 91 18.750 -27.122 -35.221 1.00 13.21 H new ATOM 1410 N ASN A 92 20.371 -21.917 -33.119 1.00 4.32 N ATOM 1411 CA ASN A 92 21.700 -21.327 -32.999 1.00 54.51 C ATOM 1412 C ASN A 92 22.697 -22.341 -32.448 1.00 33.33 C ATOM 1413 O ASN A 92 22.323 -23.447 -32.056 1.00 14.13 O ATOM 1414 CB ASN A 92 21.653 -20.096 -32.093 1.00 61.45 C ATOM 1415 CG ASN A 92 20.919 -18.934 -32.734 1.00 60.54 C ATOM 1416 OD1 ASN A 92 21.531 -18.337 -33.750 1.00 53.33 O flip ATOM 1417 ND2 ASN A 92 19.817 -18.576 -32.319 1.00 23.44 N flip ATOM 0 H ASN A 92 19.730 -21.671 -32.364 1.00 4.32 H new ATOM 0 HA ASN A 92 22.029 -21.025 -33.994 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.164 -20.358 -31.154 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.670 -19.789 -31.848 1.00 61.45 H new ATOM 0 HD21 ASN A 92 19.384 -19.064 -31.535 1.00 23.44 H new ATOM 0 HD22 ASN A 92 19.337 -17.791 -32.759 1.00 23.44 H new ATOM 1424 N LEU A 93 23.968 -21.957 -32.420 1.00 32.05 N ATOM 1425 CA LEU A 93 25.021 -22.832 -31.915 1.00 34.14 C ATOM 1426 C LEU A 93 25.957 -22.073 -30.978 1.00 2.14 C ATOM 1427 O LEU A 93 26.425 -20.981 -31.303 1.00 5.21 O ATOM 1428 CB LEU A 93 25.817 -23.427 -33.078 1.00 74.14 C ATOM 1429 CG LEU A 93 27.001 -24.316 -32.695 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.569 -25.380 -31.698 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.609 -24.957 -33.934 1.00 72.43 C ATOM 0 H LEU A 93 24.295 -21.046 -32.741 1.00 32.05 H new ATOM 0 HA LEU A 93 24.551 -23.639 -31.353 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.136 -24.010 -33.698 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.188 -22.608 -33.695 1.00 74.14 H new ATOM 0 HG LEU A 93 27.761 -23.693 -32.223 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.425 -26.003 -31.437 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.182 -24.900 -30.799 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.791 -26.000 -32.142 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.450 -25.586 -33.643 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.857 -25.566 -34.435 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.956 -24.178 -34.613 1.00 72.43 H new ATOM 1443 N ILE A 94 26.227 -22.660 -29.818 1.00 14.30 N ATOM 1444 CA ILE A 94 27.110 -22.042 -28.836 1.00 21.03 C ATOM 1445 C ILE A 94 28.134 -23.042 -28.312 1.00 2.32 C ATOM 1446 O ILE A 94 27.842 -24.230 -28.167 1.00 25.24 O ATOM 1447 CB ILE A 94 26.315 -21.466 -27.649 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.260 -20.785 -26.658 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.520 -22.566 -26.961 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.724 -19.482 -26.108 1.00 45.44 C ATOM 0 H ILE A 94 25.847 -23.563 -29.534 1.00 14.30 H new ATOM 0 HA ILE A 94 27.628 -21.229 -29.344 1.00 21.03 H new ATOM 0 HB ILE A 94 25.615 -20.720 -28.026 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.457 -21.466 -25.830 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.215 -20.597 -27.150 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.963 -22.144 -26.124 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.824 -23.011 -27.672 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.202 -23.332 -26.593 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.447 -19.056 -25.412 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.554 -18.784 -26.927 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.784 -19.666 -25.587 1.00 45.44 H new ATOM 1462 N HIS A 95 29.337 -22.553 -28.025 1.00 34.15 N ATOM 1463 CA HIS A 95 30.406 -23.404 -27.513 1.00 64.32 C ATOM 1464 C HIS A 95 31.108 -22.742 -26.332 1.00 64.02 C ATOM 1465 O HIS A 95 31.955 -21.865 -26.512 1.00 35.41 O ATOM 1466 CB HIS A 95 31.418 -23.709 -28.618 1.00 24.45 C ATOM 1467 CG HIS A 95 32.074 -25.048 -28.475 1.00 31.14 C ATOM 1468 ND1 HIS A 95 32.828 -25.403 -27.377 1.00 4.01 N ATOM 1469 CD2 HIS A 95 32.086 -26.120 -29.300 1.00 34.13 C ATOM 1470 CE1 HIS A 95 33.276 -26.635 -27.533 1.00 5.54 C ATOM 1471 NE2 HIS A 95 32.839 -27.094 -28.693 1.00 74.23 N ATOM 0 H HIS A 95 29.596 -21.573 -28.138 1.00 34.15 H new ATOM 0 HA HIS A 95 29.961 -24.338 -27.171 1.00 64.32 H new ATOM 0 HB2 HIS A 95 30.915 -23.661 -29.584 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.186 -22.935 -28.620 1.00 24.45 H new ATOM 0 HD2 HIS A 95 31.594 -26.196 -30.259 1.00 34.13 H new ATOM 0 HE1 HIS A 95 33.894 -27.176 -26.832 1.00 5.54 H new ATOM 0 HE2 HIS A 95 33.030 -28.020 -29.075 1.00 74.23 H new ATOM 1479 N VAL A 96 30.752 -23.165 -25.124 1.00 71.10 N ATOM 1480 CA VAL A 96 31.348 -22.612 -23.914 1.00 11.24 C ATOM 1481 C VAL A 96 32.657 -23.318 -23.575 1.00 23.32 C ATOM 1482 O VAL A 96 32.765 -24.539 -23.689 1.00 52.24 O ATOM 1483 CB VAL A 96 30.391 -22.727 -22.712 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.047 -22.185 -21.452 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.087 -21.998 -23.000 1.00 41.02 C ATOM 0 H VAL A 96 30.053 -23.889 -24.957 1.00 71.10 H new ATOM 0 HA VAL A 96 31.545 -21.558 -24.112 1.00 11.24 H new ATOM 0 HB VAL A 96 30.165 -23.781 -22.549 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.355 -22.275 -20.614 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.951 -22.755 -21.239 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.305 -21.136 -21.598 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.422 -22.089 -22.141 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.293 -20.945 -23.189 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.610 -22.438 -23.876 1.00 41.02 H new