USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 895 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 114 THR OG1 : rot -32:sc= 0.335 USER MOD Set 1.2: A 125 THR OG1 : rot 65:sc= 0.162 USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -10! C(o=-10!,f=-11!) USER MOD Set 3.1: A 77 HIS : no HD1:sc= -14.3! C(o=-18!,f=-13!) USER MOD Set 3.2: A 79 HIS : no HE2:sc= -3.5! C(o=-18!,f=-15!) USER MOD Set 4.1: A 71 HIS : no HD1:sc= -10.8! C(o=-14!,f=-14!) USER MOD Set 4.2: A 90 SER OG : rot -149:sc= -4.25! USER MOD Set 4.3: A 94 THR OG1 : rot 103:sc= 1.03 USER MOD Set 5.1: A 64 HIS : no HD1:sc= 0.0214 K(o=0.023,f=-1.1) USER MOD Set 5.2: A 66 SER OG : rot 180:sc= 0.00185 USER MOD Single : A 18 THR OG1 : rot -44:sc= 0.125 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.5! K(o=-3.5!,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -1.67! (180deg=-3.06!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.31) USER MOD Single : A 58 CYS SG : rot 127:sc= -4.37! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00688 X(o=-0.0069,f=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -6.51! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -30:sc= -2.09 USER MOD Single : A 78 LYS NZ :NH3+ -138:sc= 0.663 (180deg=-2.81!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.9! C(o=-2.9!,f=-1.7!) USER MOD Single : A 98 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=-1.1) USER MOD Single : A 104 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-3.1!) USER MOD Single : A 105 LYS NZ :NH3+ -143:sc= 1 (180deg=0.133) USER MOD Single : A 107 GLN : amide:sc= -2.28 K(o=-2.3,f=-1.7) USER MOD Single : A 108 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.32) USER MOD Single : A 113 SER OG : rot 100:sc= -2.65! USER MOD Single : A 116 SER OG : rot 18:sc= 0.0787! USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 17 20.634 4.471 -19.363 1.00 23.03 N ATOM 215 CA PRO A 17 21.231 4.780 -20.651 1.00 11.21 C ATOM 216 C PRO A 17 22.634 4.180 -20.764 1.00 12.22 C ATOM 217 O PRO A 17 22.988 3.275 -20.010 1.00 2.10 O ATOM 218 CB PRO A 17 21.226 6.298 -20.733 1.00 34.02 C ATOM 219 CG PRO A 17 21.058 6.792 -19.305 1.00 74.20 C ATOM 220 CD PRO A 17 20.618 5.612 -18.453 1.00 5.54 C ATOM 0 HA PRO A 17 20.678 4.347 -21.485 1.00 11.21 H new ATOM 0 HB2 PRO A 17 22.154 6.669 -21.168 1.00 34.02 H new ATOM 0 HB3 PRO A 17 20.413 6.652 -21.367 1.00 34.02 H new ATOM 0 HG2 PRO A 17 21.995 7.205 -18.931 1.00 74.20 H new ATOM 0 HG3 PRO A 17 20.318 7.591 -19.262 1.00 74.20 H new ATOM 0 HD2 PRO A 17 21.294 5.457 -17.612 1.00 5.54 H new ATOM 0 HD3 PRO A 17 19.623 5.773 -18.037 1.00 5.54 H new ATOM 228 N THR A 18 23.394 4.709 -21.711 1.00 64.21 N ATOM 229 CA THR A 18 24.751 4.237 -21.932 1.00 72.12 C ATOM 230 C THR A 18 25.760 5.330 -21.577 1.00 3.15 C ATOM 231 O THR A 18 26.969 5.112 -21.649 1.00 74.41 O ATOM 232 CB THR A 18 24.855 3.762 -23.383 1.00 25.33 C ATOM 233 OG1 THR A 18 25.989 2.898 -23.384 1.00 42.53 O ATOM 234 CG2 THR A 18 25.244 4.889 -24.342 1.00 21.14 C ATOM 0 H THR A 18 23.097 5.460 -22.334 1.00 64.21 H new ATOM 0 HA THR A 18 24.989 3.396 -21.281 1.00 72.12 H new ATOM 0 HB THR A 18 23.902 3.334 -23.694 1.00 25.33 H new ATOM 0 HG1 THR A 18 26.718 3.314 -22.877 1.00 42.53 H new ATOM 0 HG21 THR A 18 25.304 4.498 -25.358 1.00 21.14 H new ATOM 0 HG22 THR A 18 24.493 5.678 -24.300 1.00 21.14 H new ATOM 0 HG23 THR A 18 26.213 5.295 -24.052 1.00 21.14 H new ATOM 242 N TRP A 19 25.227 6.483 -21.200 1.00 5.13 N ATOM 243 CA TRP A 19 26.067 7.611 -20.832 1.00 72.15 C ATOM 244 C TRP A 19 26.218 7.612 -19.310 1.00 64.40 C ATOM 245 O TRP A 19 26.952 8.429 -18.756 1.00 20.20 O ATOM 246 CB TRP A 19 25.494 8.921 -21.377 1.00 33.13 C ATOM 247 CG TRP A 19 23.965 8.957 -21.431 1.00 21.52 C ATOM 248 CD1 TRP A 19 23.162 8.484 -22.394 1.00 23.20 C ATOM 249 CD2 TRP A 19 23.082 9.516 -20.436 1.00 4.53 C ATOM 250 NE1 TRP A 19 21.832 8.697 -22.094 1.00 3.21 N ATOM 251 CE2 TRP A 19 21.782 9.345 -20.865 1.00 42.01 C ATOM 252 CE3 TRP A 19 23.373 10.147 -19.213 1.00 21.21 C ATOM 253 CZ2 TRP A 19 20.670 9.777 -20.133 1.00 32.53 C ATOM 254 CZ3 TRP A 19 22.250 10.572 -18.493 1.00 3.31 C ATOM 255 CH2 TRP A 19 20.935 10.407 -18.911 1.00 42.45 C ATOM 0 H TRP A 19 24.224 6.661 -21.141 1.00 5.13 H new ATOM 0 HA TRP A 19 27.057 7.517 -21.279 1.00 72.15 H new ATOM 0 HB2 TRP A 19 25.845 9.745 -20.756 1.00 33.13 H new ATOM 0 HB3 TRP A 19 25.887 9.088 -22.380 1.00 33.13 H new ATOM 0 HD1 TRP A 19 23.512 7.997 -23.292 1.00 23.20 H new ATOM 0 HE1 TRP A 19 21.033 8.428 -22.668 1.00 3.21 H new ATOM 0 HE3 TRP A 19 24.382 10.292 -18.858 1.00 21.21 H new ATOM 0 HZ2 TRP A 19 19.662 9.632 -20.492 1.00 32.53 H new ATOM 0 HZ3 TRP A 19 22.418 11.063 -17.546 1.00 3.31 H new ATOM 0 HH2 TRP A 19 20.121 10.763 -18.296 1.00 42.45 H new ATOM 266 N ALA A 20 25.513 6.686 -18.677 1.00 12.23 N ATOM 267 CA ALA A 20 25.560 6.570 -17.229 1.00 73.41 C ATOM 268 C ALA A 20 26.862 5.880 -16.819 1.00 65.02 C ATOM 269 O ALA A 20 27.337 4.980 -17.511 1.00 33.15 O ATOM 270 CB ALA A 20 24.322 5.817 -16.737 1.00 53.10 C ATOM 0 H ALA A 20 24.906 6.009 -19.140 1.00 12.23 H new ATOM 0 HA ALA A 20 25.549 7.556 -16.765 1.00 73.41 H new ATOM 0 HB1 ALA A 20 24.357 5.730 -15.651 1.00 53.10 H new ATOM 0 HB2 ALA A 20 23.425 6.363 -17.029 1.00 53.10 H new ATOM 0 HB3 ALA A 20 24.302 4.821 -17.180 1.00 53.10 H new ATOM 276 N GLY A 21 27.404 6.329 -15.696 1.00 62.44 N ATOM 277 CA GLY A 21 28.643 5.766 -15.186 1.00 70.12 C ATOM 278 C GLY A 21 28.544 5.493 -13.684 1.00 14.31 C ATOM 279 O GLY A 21 27.701 4.711 -13.246 1.00 5.23 O ATOM 0 H GLY A 21 27.008 7.076 -15.125 1.00 62.44 H new ATOM 0 HA2 GLY A 21 28.870 4.839 -15.713 1.00 70.12 H new ATOM 0 HA3 GLY A 21 29.466 6.453 -15.381 1.00 70.12 H new ATOM 283 N LYS A 22 29.415 6.154 -12.936 1.00 64.22 N ATOM 284 CA LYS A 22 29.436 5.993 -11.492 1.00 64.42 C ATOM 285 C LYS A 22 29.802 7.327 -10.840 1.00 5.13 C ATOM 286 O LYS A 22 30.891 7.854 -11.063 1.00 64.52 O ATOM 287 CB LYS A 22 30.361 4.840 -11.095 1.00 72.22 C ATOM 288 CG LYS A 22 30.932 5.053 -9.692 1.00 0.40 C ATOM 289 CD LYS A 22 32.333 5.665 -9.757 1.00 61.35 C ATOM 290 CE LYS A 22 33.407 4.575 -9.761 1.00 40.01 C ATOM 291 NZ LYS A 22 34.684 5.104 -9.231 1.00 34.34 N ATOM 0 H LYS A 22 30.112 6.802 -13.303 1.00 64.22 H new ATOM 0 HA LYS A 22 28.447 5.719 -11.125 1.00 64.42 H new ATOM 0 HB2 LYS A 22 29.811 3.900 -11.129 1.00 72.22 H new ATOM 0 HB3 LYS A 22 31.176 4.758 -11.815 1.00 72.22 H new ATOM 0 HG2 LYS A 22 30.272 5.707 -9.122 1.00 0.40 H new ATOM 0 HG3 LYS A 22 30.971 4.101 -9.163 1.00 0.40 H new ATOM 0 HD2 LYS A 22 32.426 6.276 -10.655 1.00 61.35 H new ATOM 0 HD3 LYS A 22 32.485 6.327 -8.904 1.00 61.35 H new ATOM 0 HE2 LYS A 22 33.078 3.730 -9.157 1.00 40.01 H new ATOM 0 HE3 LYS A 22 33.553 4.204 -10.775 1.00 40.01 H new ATOM 0 HZ1 LYS A 22 35.402 4.352 -9.241 1.00 34.34 H new ATOM 0 HZ2 LYS A 22 35.004 5.896 -9.824 1.00 34.34 H new ATOM 0 HZ3 LYS A 22 34.544 5.436 -8.256 1.00 34.34 H new ATOM 304 N PRO A 23 28.847 7.850 -10.025 1.00 22.42 N ATOM 305 CA PRO A 23 29.058 9.113 -9.338 1.00 62.33 C ATOM 306 C PRO A 23 30.019 8.942 -8.160 1.00 3.50 C ATOM 307 O PRO A 23 30.011 7.910 -7.491 1.00 54.23 O ATOM 308 CB PRO A 23 27.671 9.566 -8.913 1.00 21.32 C ATOM 309 CG PRO A 23 26.794 8.326 -8.964 1.00 75.43 C ATOM 310 CD PRO A 23 27.546 7.254 -9.737 1.00 13.15 C ATOM 0 HA PRO A 23 29.530 9.863 -9.972 1.00 62.33 H new ATOM 0 HB2 PRO A 23 27.689 9.990 -7.909 1.00 21.32 H new ATOM 0 HB3 PRO A 23 27.292 10.340 -9.580 1.00 21.32 H new ATOM 0 HG2 PRO A 23 26.564 7.979 -7.956 1.00 75.43 H new ATOM 0 HG3 PRO A 23 25.844 8.550 -9.449 1.00 75.43 H new ATOM 0 HD2 PRO A 23 27.650 6.341 -9.150 1.00 13.15 H new ATOM 0 HD3 PRO A 23 27.022 6.985 -10.654 1.00 13.15 H new ATOM 318 N PRO A 24 30.846 9.998 -7.936 1.00 5.51 N ATOM 319 CA PRO A 24 31.812 9.976 -6.850 1.00 35.11 C ATOM 320 C PRO A 24 31.123 10.184 -5.500 1.00 13.53 C ATOM 321 O PRO A 24 30.005 10.695 -5.441 1.00 60.32 O ATOM 322 CB PRO A 24 32.807 11.075 -7.185 1.00 73.21 C ATOM 323 CG PRO A 24 32.110 11.975 -8.193 1.00 22.22 C ATOM 324 CD PRO A 24 30.885 11.237 -8.707 1.00 52.34 C ATOM 0 HA PRO A 24 32.318 9.015 -6.756 1.00 35.11 H new ATOM 0 HB2 PRO A 24 33.088 11.633 -6.292 1.00 73.21 H new ATOM 0 HB3 PRO A 24 33.724 10.658 -7.602 1.00 73.21 H new ATOM 0 HG2 PRO A 24 31.821 12.917 -7.728 1.00 22.22 H new ATOM 0 HG3 PRO A 24 32.782 12.219 -9.016 1.00 22.22 H new ATOM 0 HD2 PRO A 24 29.978 11.824 -8.559 1.00 52.34 H new ATOM 0 HD3 PRO A 24 30.964 11.036 -9.775 1.00 52.34 H new ATOM 332 N PRO A 25 31.837 9.769 -4.420 1.00 20.53 N ATOM 333 CA PRO A 25 31.307 9.905 -3.074 1.00 35.30 C ATOM 334 C PRO A 25 31.374 11.359 -2.602 1.00 64.43 C ATOM 335 O PRO A 25 32.203 11.704 -1.762 1.00 0.25 O ATOM 336 CB PRO A 25 32.145 8.965 -2.224 1.00 21.45 C ATOM 337 CG PRO A 25 33.406 8.689 -3.026 1.00 43.43 C ATOM 338 CD PRO A 25 33.164 9.160 -4.451 1.00 73.21 C ATOM 0 HA PRO A 25 30.251 9.643 -3.010 1.00 35.30 H new ATOM 0 HB2 PRO A 25 32.385 9.418 -1.262 1.00 21.45 H new ATOM 0 HB3 PRO A 25 31.605 8.041 -2.015 1.00 21.45 H new ATOM 0 HG2 PRO A 25 34.258 9.212 -2.591 1.00 43.43 H new ATOM 0 HG3 PRO A 25 33.643 7.625 -3.011 1.00 43.43 H new ATOM 0 HD2 PRO A 25 33.922 9.878 -4.765 1.00 73.21 H new ATOM 0 HD3 PRO A 25 33.202 8.328 -5.155 1.00 73.21 H new ATOM 346 N GLY A 26 30.492 12.171 -3.164 1.00 54.31 N ATOM 347 CA GLY A 26 30.441 13.580 -2.811 1.00 73.05 C ATOM 348 C GLY A 26 29.226 14.261 -3.446 1.00 64.35 C ATOM 349 O GLY A 26 29.270 15.449 -3.760 1.00 41.22 O ATOM 0 H GLY A 26 29.807 11.881 -3.861 1.00 54.31 H new ATOM 0 HA2 GLY A 26 30.396 13.686 -1.727 1.00 73.05 H new ATOM 0 HA3 GLY A 26 31.354 14.075 -3.142 1.00 73.05 H new ATOM 353 N LEU A 27 28.171 13.478 -3.617 1.00 22.21 N ATOM 354 CA LEU A 27 26.947 13.990 -4.209 1.00 1.22 C ATOM 355 C LEU A 27 25.759 13.609 -3.323 1.00 41.21 C ATOM 356 O LEU A 27 25.876 12.738 -2.463 1.00 72.41 O ATOM 357 CB LEU A 27 26.812 13.515 -5.657 1.00 21.52 C ATOM 358 CG LEU A 27 28.031 13.741 -6.554 1.00 11.25 C ATOM 359 CD1 LEU A 27 27.951 12.879 -7.815 1.00 3.20 C ATOM 360 CD2 LEU A 27 28.201 15.226 -6.883 1.00 75.54 C ATOM 0 H LEU A 27 28.139 12.493 -3.356 1.00 22.21 H new ATOM 0 HA LEU A 27 26.973 15.079 -4.257 1.00 1.22 H new ATOM 0 HB2 LEU A 27 26.584 12.449 -5.649 1.00 21.52 H new ATOM 0 HB3 LEU A 27 25.957 14.020 -6.106 1.00 21.52 H new ATOM 0 HG LEU A 27 28.921 13.429 -6.007 1.00 11.25 H new ATOM 0 HD11 LEU A 27 28.829 13.059 -8.435 1.00 3.20 H new ATOM 0 HD12 LEU A 27 27.914 11.826 -7.534 1.00 3.20 H new ATOM 0 HD13 LEU A 27 27.052 13.137 -8.376 1.00 3.20 H new ATOM 0 HD21 LEU A 27 29.074 15.360 -7.522 1.00 75.54 H new ATOM 0 HD22 LEU A 27 27.313 15.588 -7.402 1.00 75.54 H new ATOM 0 HD23 LEU A 27 28.337 15.790 -5.960 1.00 75.54 H new ATOM 372 N HIS A 28 24.643 14.281 -3.564 1.00 51.10 N ATOM 373 CA HIS A 28 23.435 14.024 -2.799 1.00 34.11 C ATOM 374 C HIS A 28 22.294 14.892 -3.334 1.00 71.21 C ATOM 375 O HIS A 28 22.517 16.025 -3.758 1.00 62.43 O ATOM 376 CB HIS A 28 23.685 14.229 -1.304 1.00 14.14 C ATOM 377 CG HIS A 28 23.886 15.672 -0.907 1.00 14.21 C ATOM 378 ND1 HIS A 28 25.002 16.402 -1.275 1.00 40.42 N ATOM 379 CD2 HIS A 28 23.101 16.512 -0.172 1.00 4.01 C ATOM 380 CE1 HIS A 28 24.885 17.625 -0.778 1.00 70.11 C ATOM 381 NE2 HIS A 28 23.707 17.691 -0.094 1.00 73.32 N ATOM 0 H HIS A 28 24.550 15.003 -4.278 1.00 51.10 H new ATOM 0 HA HIS A 28 23.139 12.982 -2.919 1.00 34.11 H new ATOM 0 HB2 HIS A 28 22.841 13.824 -0.746 1.00 14.14 H new ATOM 0 HB3 HIS A 28 24.565 13.656 -1.011 1.00 14.14 H new ATOM 0 HD2 HIS A 28 22.149 16.261 0.271 1.00 4.01 H new ATOM 0 HE1 HIS A 28 25.597 18.428 -0.894 1.00 70.11 H new ATOM 0 HE2 HIS A 28 23.350 18.511 0.397 1.00 73.32 H new ATOM 389 N LEU A 29 21.096 14.327 -3.297 1.00 11.15 N ATOM 390 CA LEU A 29 19.920 15.035 -3.772 1.00 54.14 C ATOM 391 C LEU A 29 19.297 15.817 -2.614 1.00 43.52 C ATOM 392 O LEU A 29 19.754 15.718 -1.477 1.00 23.45 O ATOM 393 CB LEU A 29 18.950 14.066 -4.452 1.00 15.34 C ATOM 394 CG LEU A 29 18.073 14.660 -5.556 1.00 75.41 C ATOM 395 CD1 LEU A 29 18.892 15.560 -6.483 1.00 21.41 C ATOM 396 CD2 LEU A 29 17.341 13.558 -6.326 1.00 51.53 C ATOM 0 H LEU A 29 20.915 13.387 -2.945 1.00 11.15 H new ATOM 0 HA LEU A 29 20.196 15.762 -4.535 1.00 54.14 H new ATOM 0 HB2 LEU A 29 19.526 13.244 -4.876 1.00 15.34 H new ATOM 0 HB3 LEU A 29 18.299 13.639 -3.689 1.00 15.34 H new ATOM 0 HG LEU A 29 17.313 15.287 -5.089 1.00 75.41 H new ATOM 0 HD11 LEU A 29 18.244 15.969 -7.258 1.00 21.41 H new ATOM 0 HD12 LEU A 29 19.328 16.376 -5.906 1.00 21.41 H new ATOM 0 HD13 LEU A 29 19.688 14.977 -6.946 1.00 21.41 H new ATOM 0 HD21 LEU A 29 16.724 14.006 -7.105 1.00 51.53 H new ATOM 0 HD22 LEU A 29 18.069 12.887 -6.781 1.00 51.53 H new ATOM 0 HD23 LEU A 29 16.707 12.995 -5.641 1.00 51.53 H new ATOM 408 N ASP A 30 18.264 16.579 -2.944 1.00 22.42 N ATOM 409 CA ASP A 30 17.575 17.378 -1.945 1.00 75.41 C ATOM 410 C ASP A 30 16.187 17.753 -2.468 1.00 53.23 C ATOM 411 O ASP A 30 15.914 17.627 -3.661 1.00 32.50 O ATOM 412 CB ASP A 30 18.336 18.672 -1.654 1.00 1.14 C ATOM 413 CG ASP A 30 19.852 18.515 -1.524 1.00 4.03 C ATOM 414 OD1 ASP A 30 20.399 18.491 -0.411 1.00 1.30 O ATOM 415 OD2 ASP A 30 20.488 18.413 -2.642 1.00 13.22 O ATOM 0 H ASP A 30 17.888 16.660 -3.889 1.00 22.42 H new ATOM 0 HA ASP A 30 17.505 16.788 -1.031 1.00 75.41 H new ATOM 0 HB2 ASP A 30 18.127 19.386 -2.451 1.00 1.14 H new ATOM 0 HB3 ASP A 30 17.950 19.103 -0.730 1.00 1.14 H new ATOM 421 N VAL A 31 15.346 18.208 -1.550 1.00 64.24 N ATOM 422 CA VAL A 31 13.993 18.603 -1.904 1.00 65.42 C ATOM 423 C VAL A 31 13.650 19.916 -1.200 1.00 14.45 C ATOM 424 O VAL A 31 14.147 20.188 -0.108 1.00 14.03 O ATOM 425 CB VAL A 31 13.015 17.473 -1.574 1.00 5.31 C ATOM 426 CG1 VAL A 31 11.577 17.882 -1.896 1.00 52.20 C ATOM 427 CG2 VAL A 31 13.397 16.186 -2.307 1.00 71.22 C ATOM 0 H VAL A 31 15.576 18.312 -0.562 1.00 64.24 H new ATOM 0 HA VAL A 31 13.914 18.779 -2.977 1.00 65.42 H new ATOM 0 HB VAL A 31 13.076 17.279 -0.503 1.00 5.31 H new ATOM 0 HG11 VAL A 31 10.902 17.061 -1.652 1.00 52.20 H new ATOM 0 HG12 VAL A 31 11.308 18.760 -1.308 1.00 52.20 H new ATOM 0 HG13 VAL A 31 11.494 18.117 -2.957 1.00 52.20 H new ATOM 0 HG21 VAL A 31 12.686 15.399 -2.055 1.00 71.22 H new ATOM 0 HG22 VAL A 31 13.379 16.361 -3.383 1.00 71.22 H new ATOM 0 HG23 VAL A 31 14.399 15.880 -2.006 1.00 71.22 H new ATOM 437 N VAL A 32 12.801 20.697 -1.853 1.00 25.10 N ATOM 438 CA VAL A 32 12.385 21.976 -1.303 1.00 23.32 C ATOM 439 C VAL A 32 10.947 22.268 -1.735 1.00 10.11 C ATOM 440 O VAL A 32 10.580 22.029 -2.884 1.00 54.22 O ATOM 441 CB VAL A 32 13.369 23.070 -1.721 1.00 3.45 C ATOM 442 CG1 VAL A 32 13.365 24.224 -0.716 1.00 11.13 C ATOM 443 CG2 VAL A 32 14.779 22.502 -1.897 1.00 52.11 C ATOM 0 H VAL A 32 12.390 20.468 -2.758 1.00 25.10 H new ATOM 0 HA VAL A 32 12.397 21.946 -0.213 1.00 23.32 H new ATOM 0 HB VAL A 32 13.043 23.463 -2.684 1.00 3.45 H new ATOM 0 HG11 VAL A 32 14.073 24.988 -1.037 1.00 11.13 H new ATOM 0 HG12 VAL A 32 12.365 24.655 -0.661 1.00 11.13 H new ATOM 0 HG13 VAL A 32 13.654 23.852 0.267 1.00 11.13 H new ATOM 0 HG21 VAL A 32 15.459 23.301 -2.194 1.00 52.11 H new ATOM 0 HG22 VAL A 32 15.117 22.070 -0.955 1.00 52.11 H new ATOM 0 HG23 VAL A 32 14.767 21.731 -2.667 1.00 52.11 H new ATOM 453 N LYS A 33 10.172 22.781 -0.791 1.00 11.03 N ATOM 454 CA LYS A 33 8.782 23.109 -1.059 1.00 70.54 C ATOM 455 C LYS A 33 8.714 24.424 -1.838 1.00 12.14 C ATOM 456 O LYS A 33 7.728 24.694 -2.522 1.00 42.02 O ATOM 457 CB LYS A 33 7.973 23.120 0.239 1.00 24.45 C ATOM 458 CG LYS A 33 8.596 24.069 1.265 1.00 25.21 C ATOM 459 CD LYS A 33 7.602 24.403 2.379 1.00 74.45 C ATOM 460 CE LYS A 33 6.679 25.551 1.964 1.00 62.55 C ATOM 461 NZ LYS A 33 5.987 26.112 3.145 1.00 2.31 N ATOM 0 H LYS A 33 10.480 22.978 0.161 1.00 11.03 H new ATOM 0 HA LYS A 33 8.324 22.343 -1.685 1.00 70.54 H new ATOM 0 HB2 LYS A 33 6.948 23.426 0.030 1.00 24.45 H new ATOM 0 HB3 LYS A 33 7.927 22.112 0.652 1.00 24.45 H new ATOM 0 HG2 LYS A 33 9.488 23.612 1.694 1.00 25.21 H new ATOM 0 HG3 LYS A 33 8.915 24.986 0.770 1.00 25.21 H new ATOM 0 HD2 LYS A 33 7.007 23.521 2.617 1.00 74.45 H new ATOM 0 HD3 LYS A 33 8.144 24.676 3.285 1.00 74.45 H new ATOM 0 HE2 LYS A 33 7.258 26.331 1.470 1.00 62.55 H new ATOM 0 HE3 LYS A 33 5.946 25.193 1.241 1.00 62.55 H new ATOM 0 HZ1 LYS A 33 5.365 26.890 2.846 1.00 2.31 H new ATOM 0 HZ2 LYS A 33 5.419 25.369 3.600 1.00 2.31 H new ATOM 0 HZ3 LYS A 33 6.691 26.472 3.821 1.00 2.31 H new ATOM 474 N GLY A 34 9.774 25.208 -1.706 1.00 71.23 N ATOM 475 CA GLY A 34 9.847 26.489 -2.389 1.00 32.43 C ATOM 476 C GLY A 34 11.022 27.320 -1.871 1.00 22.14 C ATOM 477 O GLY A 34 11.897 27.713 -2.641 1.00 73.32 O ATOM 0 H GLY A 34 10.589 24.981 -1.136 1.00 71.23 H new ATOM 0 HA2 GLY A 34 9.956 26.328 -3.461 1.00 32.43 H new ATOM 0 HA3 GLY A 34 8.916 27.037 -2.242 1.00 32.43 H new ATOM 481 N ASP A 35 11.005 27.563 -0.568 1.00 50.23 N ATOM 482 CA ASP A 35 12.059 28.341 0.062 1.00 74.52 C ATOM 483 C ASP A 35 12.467 27.669 1.374 1.00 34.34 C ATOM 484 O ASP A 35 13.081 28.299 2.234 1.00 61.14 O ATOM 485 CB ASP A 35 11.580 29.757 0.385 1.00 53.34 C ATOM 486 CG ASP A 35 10.445 29.839 1.408 1.00 25.12 C ATOM 487 OD1 ASP A 35 9.643 28.904 1.548 1.00 21.04 O ATOM 488 OD2 ASP A 35 10.403 30.934 2.089 1.00 41.13 O ATOM 0 H ASP A 35 10.278 27.235 0.068 1.00 50.23 H new ATOM 0 HA ASP A 35 12.899 28.394 -0.630 1.00 74.52 H new ATOM 0 HB2 ASP A 35 12.426 30.335 0.757 1.00 53.34 H new ATOM 0 HB3 ASP A 35 11.251 30.233 -0.539 1.00 53.34 H new ATOM 494 N LYS A 36 12.108 26.398 1.488 1.00 2.32 N ATOM 495 CA LYS A 36 12.429 25.634 2.682 1.00 44.13 C ATOM 496 C LYS A 36 12.820 24.210 2.281 1.00 52.24 C ATOM 497 O LYS A 36 12.084 23.542 1.557 1.00 72.54 O ATOM 498 CB LYS A 36 11.275 25.696 3.684 1.00 3.12 C ATOM 499 CG LYS A 36 11.244 24.444 4.563 1.00 63.34 C ATOM 500 CD LYS A 36 10.169 24.560 5.645 1.00 60.41 C ATOM 501 CE LYS A 36 9.578 23.189 5.979 1.00 33.33 C ATOM 502 NZ LYS A 36 8.691 23.281 7.161 1.00 60.13 N ATOM 0 H LYS A 36 11.598 25.879 0.773 1.00 2.32 H new ATOM 0 HA LYS A 36 13.288 26.069 3.193 1.00 44.13 H new ATOM 0 HB2 LYS A 36 11.380 26.582 4.310 1.00 3.12 H new ATOM 0 HB3 LYS A 36 10.330 25.793 3.150 1.00 3.12 H new ATOM 0 HG2 LYS A 36 11.050 23.567 3.946 1.00 63.34 H new ATOM 0 HG3 LYS A 36 12.219 24.298 5.028 1.00 63.34 H new ATOM 0 HD2 LYS A 36 10.598 25.004 6.543 1.00 60.41 H new ATOM 0 HD3 LYS A 36 9.378 25.229 5.306 1.00 60.41 H new ATOM 0 HE2 LYS A 36 9.017 22.810 5.125 1.00 33.33 H new ATOM 0 HE3 LYS A 36 10.381 22.478 6.174 1.00 33.33 H new ATOM 0 HZ1 LYS A 36 8.298 22.342 7.374 1.00 60.13 H new ATOM 0 HZ2 LYS A 36 9.236 23.622 7.978 1.00 60.13 H new ATOM 0 HZ3 LYS A 36 7.915 23.944 6.962 1.00 60.13 H new ATOM 515 N LEU A 37 13.977 23.788 2.769 1.00 41.44 N ATOM 516 CA LEU A 37 14.474 22.456 2.470 1.00 2.10 C ATOM 517 C LEU A 37 13.557 21.417 3.119 1.00 44.21 C ATOM 518 O LEU A 37 13.409 21.391 4.340 1.00 41.13 O ATOM 519 CB LEU A 37 15.941 22.326 2.885 1.00 42.24 C ATOM 520 CG LEU A 37 16.695 21.122 2.316 1.00 50.43 C ATOM 521 CD1 LEU A 37 16.028 19.810 2.734 1.00 41.51 C ATOM 522 CD2 LEU A 37 16.839 21.233 0.797 1.00 52.54 C ATOM 0 H LEU A 37 14.585 24.345 3.370 1.00 41.44 H new ATOM 0 HA LEU A 37 14.453 22.274 1.396 1.00 2.10 H new ATOM 0 HB2 LEU A 37 16.465 23.233 2.584 1.00 42.24 H new ATOM 0 HB3 LEU A 37 15.987 22.278 3.973 1.00 42.24 H new ATOM 0 HG LEU A 37 17.701 21.120 2.735 1.00 50.43 H new ATOM 0 HD11 LEU A 37 16.584 18.970 2.316 1.00 41.51 H new ATOM 0 HD12 LEU A 37 16.021 19.736 3.821 1.00 41.51 H new ATOM 0 HD13 LEU A 37 15.004 19.788 2.362 1.00 41.51 H new ATOM 0 HD21 LEU A 37 17.378 20.365 0.418 1.00 52.54 H new ATOM 0 HD22 LEU A 37 15.850 21.274 0.340 1.00 52.54 H new ATOM 0 HD23 LEU A 37 17.391 22.140 0.549 1.00 52.54 H new ATOM 534 N ILE A 38 12.966 20.586 2.273 1.00 2.12 N ATOM 535 CA ILE A 38 12.068 19.548 2.749 1.00 71.20 C ATOM 536 C ILE A 38 12.889 18.409 3.357 1.00 72.54 C ATOM 537 O ILE A 38 12.933 18.252 4.576 1.00 74.02 O ATOM 538 CB ILE A 38 11.127 19.099 1.629 1.00 22.31 C ATOM 539 CG1 ILE A 38 10.311 20.277 1.094 1.00 74.44 C ATOM 540 CG2 ILE A 38 10.234 17.946 2.092 1.00 24.24 C ATOM 541 CD1 ILE A 38 9.181 20.644 2.058 1.00 40.11 C ATOM 0 H ILE A 38 13.092 20.611 1.261 1.00 2.12 H new ATOM 0 HA ILE A 38 11.424 19.934 3.539 1.00 71.20 H new ATOM 0 HB ILE A 38 11.732 18.725 0.803 1.00 22.31 H new ATOM 0 HG12 ILE A 38 10.963 21.138 0.947 1.00 74.44 H new ATOM 0 HG13 ILE A 38 9.894 20.023 0.119 1.00 74.44 H new ATOM 0 HG21 ILE A 38 9.575 17.646 1.277 1.00 24.24 H new ATOM 0 HG22 ILE A 38 10.855 17.100 2.386 1.00 24.24 H new ATOM 0 HG23 ILE A 38 9.635 18.269 2.943 1.00 24.24 H new ATOM 0 HD11 ILE A 38 8.616 21.484 1.654 1.00 40.11 H new ATOM 0 HD12 ILE A 38 8.518 19.788 2.184 1.00 40.11 H new ATOM 0 HD13 ILE A 38 9.603 20.921 3.024 1.00 40.11 H new ATOM 553 N GLU A 39 13.519 17.642 2.478 1.00 11.34 N ATOM 554 CA GLU A 39 14.336 16.522 2.913 1.00 11.01 C ATOM 555 C GLU A 39 15.623 16.453 2.089 1.00 22.40 C ATOM 556 O GLU A 39 15.886 17.328 1.266 1.00 15.31 O ATOM 557 CB GLU A 39 13.557 15.208 2.825 1.00 53.35 C ATOM 558 CG GLU A 39 13.481 14.712 1.379 1.00 15.31 C ATOM 559 CD GLU A 39 12.304 13.753 1.190 1.00 30.41 C ATOM 560 OE1 GLU A 39 12.331 12.911 0.280 1.00 74.11 O ATOM 561 OE2 GLU A 39 11.337 13.903 2.031 1.00 23.20 O ATOM 0 H GLU A 39 13.480 17.774 1.467 1.00 11.34 H new ATOM 0 HA GLU A 39 14.604 16.677 3.958 1.00 11.01 H new ATOM 0 HB2 GLU A 39 14.038 14.453 3.447 1.00 53.35 H new ATOM 0 HB3 GLU A 39 12.550 15.351 3.218 1.00 53.35 H new ATOM 0 HG2 GLU A 39 13.375 15.562 0.704 1.00 15.31 H new ATOM 0 HG3 GLU A 39 14.411 14.209 1.114 1.00 15.31 H new ATOM 569 N LYS A 40 16.392 15.403 2.339 1.00 61.01 N ATOM 570 CA LYS A 40 17.646 15.208 1.630 1.00 34.14 C ATOM 571 C LYS A 40 17.758 13.746 1.194 1.00 33.44 C ATOM 572 O LYS A 40 17.150 12.865 1.801 1.00 74.03 O ATOM 573 CB LYS A 40 18.823 15.688 2.482 1.00 73.21 C ATOM 574 CG LYS A 40 19.881 16.375 1.617 1.00 40.03 C ATOM 575 CD LYS A 40 21.086 16.801 2.459 1.00 75.33 C ATOM 576 CE LYS A 40 20.640 17.581 3.697 1.00 23.54 C ATOM 577 NZ LYS A 40 21.816 18.077 4.447 1.00 13.32 N ATOM 0 H LYS A 40 16.171 14.679 3.022 1.00 61.01 H new ATOM 0 HA LYS A 40 17.670 15.814 0.724 1.00 34.14 H new ATOM 0 HB2 LYS A 40 18.466 16.380 3.245 1.00 73.21 H new ATOM 0 HB3 LYS A 40 19.268 14.841 3.004 1.00 73.21 H new ATOM 0 HG2 LYS A 40 20.206 15.698 0.827 1.00 40.03 H new ATOM 0 HG3 LYS A 40 19.447 17.248 1.130 1.00 40.03 H new ATOM 0 HD2 LYS A 40 21.651 15.920 2.764 1.00 75.33 H new ATOM 0 HD3 LYS A 40 21.755 17.417 1.858 1.00 75.33 H new ATOM 0 HE2 LYS A 40 20.011 18.420 3.399 1.00 23.54 H new ATOM 0 HE3 LYS A 40 20.035 16.941 4.339 1.00 23.54 H new ATOM 0 HZ1 LYS A 40 21.496 18.604 5.284 1.00 13.32 H new ATOM 0 HZ2 LYS A 40 22.401 17.271 4.748 1.00 13.32 H new ATOM 0 HZ3 LYS A 40 22.378 18.704 3.837 1.00 13.32 H new ATOM 590 N LEU A 41 18.540 13.532 0.146 1.00 13.23 N ATOM 591 CA LEU A 41 18.739 12.192 -0.378 1.00 23.21 C ATOM 592 C LEU A 41 20.159 12.074 -0.937 1.00 74.30 C ATOM 593 O LEU A 41 20.829 13.081 -1.157 1.00 12.40 O ATOM 594 CB LEU A 41 17.648 11.845 -1.392 1.00 52.14 C ATOM 595 CG LEU A 41 16.266 12.443 -1.121 1.00 52.03 C ATOM 596 CD1 LEU A 41 15.438 12.515 -2.406 1.00 32.32 C ATOM 597 CD2 LEU A 41 15.542 11.672 -0.015 1.00 42.13 C ATOM 0 H LEU A 41 19.043 14.265 -0.354 1.00 13.23 H new ATOM 0 HA LEU A 41 18.647 11.454 0.419 1.00 23.21 H new ATOM 0 HB2 LEU A 41 17.978 12.174 -2.377 1.00 52.14 H new ATOM 0 HB3 LEU A 41 17.551 10.760 -1.434 1.00 52.14 H new ATOM 0 HG LEU A 41 16.400 13.465 -0.766 1.00 52.03 H new ATOM 0 HD11 LEU A 41 14.460 12.944 -2.185 1.00 32.32 H new ATOM 0 HD12 LEU A 41 15.952 13.141 -3.136 1.00 32.32 H new ATOM 0 HD13 LEU A 41 15.311 11.512 -2.814 1.00 32.32 H new ATOM 0 HD21 LEU A 41 14.562 12.118 0.158 1.00 42.13 H new ATOM 0 HD22 LEU A 41 15.419 10.632 -0.317 1.00 42.13 H new ATOM 0 HD23 LEU A 41 16.128 11.717 0.903 1.00 42.13 H new ATOM 609 N ILE A 42 20.575 10.834 -1.151 1.00 12.21 N ATOM 610 CA ILE A 42 21.902 10.571 -1.680 1.00 42.33 C ATOM 611 C ILE A 42 21.787 10.145 -3.145 1.00 42.02 C ATOM 612 O ILE A 42 20.794 9.539 -3.543 1.00 33.53 O ATOM 613 CB ILE A 42 22.639 9.559 -0.801 1.00 73.41 C ATOM 614 CG1 ILE A 42 23.068 10.192 0.524 1.00 55.41 C ATOM 615 CG2 ILE A 42 23.821 8.940 -1.550 1.00 0.12 C ATOM 616 CD1 ILE A 42 21.879 10.852 1.226 1.00 41.51 C ATOM 0 H ILE A 42 20.016 10.001 -0.967 1.00 12.21 H new ATOM 0 HA ILE A 42 22.507 11.477 -1.658 1.00 42.33 H new ATOM 0 HB ILE A 42 21.950 8.749 -0.562 1.00 73.41 H new ATOM 0 HG12 ILE A 42 23.500 9.430 1.172 1.00 55.41 H new ATOM 0 HG13 ILE A 42 23.845 10.934 0.342 1.00 55.41 H new ATOM 0 HG21 ILE A 42 24.328 8.224 -0.902 1.00 0.12 H new ATOM 0 HG22 ILE A 42 23.459 8.429 -2.442 1.00 0.12 H new ATOM 0 HG23 ILE A 42 24.520 9.725 -1.840 1.00 0.12 H new ATOM 0 HD11 ILE A 42 22.211 11.294 2.165 1.00 41.51 H new ATOM 0 HD12 ILE A 42 21.464 11.630 0.585 1.00 41.51 H new ATOM 0 HD13 ILE A 42 21.114 10.102 1.428 1.00 41.51 H new ATOM 628 N ILE A 43 22.818 10.479 -3.908 1.00 54.11 N ATOM 629 CA ILE A 43 22.845 10.139 -5.320 1.00 73.54 C ATOM 630 C ILE A 43 24.266 9.734 -5.716 1.00 22.02 C ATOM 631 O ILE A 43 24.590 9.668 -6.901 1.00 33.33 O ATOM 632 CB ILE A 43 22.276 11.285 -6.159 1.00 33.20 C ATOM 633 CG1 ILE A 43 22.941 12.613 -5.795 1.00 3.53 C ATOM 634 CG2 ILE A 43 20.752 11.353 -6.032 1.00 45.05 C ATOM 635 CD1 ILE A 43 23.784 13.142 -6.958 1.00 32.44 C ATOM 0 H ILE A 43 23.641 10.982 -3.575 1.00 54.11 H new ATOM 0 HA ILE A 43 22.202 9.281 -5.517 1.00 73.54 H new ATOM 0 HB ILE A 43 22.503 11.088 -7.207 1.00 33.20 H new ATOM 0 HG12 ILE A 43 22.178 13.346 -5.532 1.00 3.53 H new ATOM 0 HG13 ILE A 43 23.571 12.479 -4.916 1.00 3.53 H new ATOM 0 HG21 ILE A 43 20.373 12.176 -6.638 1.00 45.05 H new ATOM 0 HG22 ILE A 43 20.316 10.416 -6.379 1.00 45.05 H new ATOM 0 HG23 ILE A 43 20.481 11.515 -4.989 1.00 45.05 H new ATOM 0 HD11 ILE A 43 24.246 14.087 -6.672 1.00 32.44 H new ATOM 0 HD12 ILE A 43 24.561 12.418 -7.203 1.00 32.44 H new ATOM 0 HD13 ILE A 43 23.146 13.298 -7.828 1.00 32.44 H new ATOM 647 N ASP A 44 25.077 9.474 -4.701 1.00 22.01 N ATOM 648 CA ASP A 44 26.457 9.078 -4.928 1.00 33.34 C ATOM 649 C ASP A 44 26.622 7.598 -4.574 1.00 44.35 C ATOM 650 O ASP A 44 27.553 7.227 -3.860 1.00 52.35 O ATOM 651 CB ASP A 44 27.413 9.884 -4.047 1.00 2.00 C ATOM 652 CG ASP A 44 27.266 9.643 -2.543 1.00 51.42 C ATOM 653 OD1 ASP A 44 27.783 8.655 -2.001 1.00 11.41 O ATOM 654 OD2 ASP A 44 26.577 10.534 -1.914 1.00 20.15 O ATOM 0 H ASP A 44 24.805 9.530 -3.719 1.00 22.01 H new ATOM 0 HA ASP A 44 26.693 9.260 -5.976 1.00 33.34 H new ATOM 0 HB2 ASP A 44 28.437 9.650 -4.339 1.00 2.00 H new ATOM 0 HB3 ASP A 44 27.260 10.945 -4.246 1.00 2.00 H new ATOM 660 N GLU A 45 25.706 6.793 -5.091 1.00 14.31 N ATOM 661 CA GLU A 45 25.738 5.363 -4.839 1.00 65.40 C ATOM 662 C GLU A 45 25.528 4.589 -6.142 1.00 42.23 C ATOM 663 O GLU A 45 26.248 3.633 -6.424 1.00 25.43 O ATOM 664 CB GLU A 45 24.696 4.966 -3.792 1.00 12.10 C ATOM 665 CG GLU A 45 24.414 6.124 -2.832 1.00 45.24 C ATOM 666 CD GLU A 45 24.050 5.606 -1.440 1.00 22.04 C ATOM 667 OE1 GLU A 45 24.928 5.495 -0.570 1.00 54.43 O ATOM 668 OE2 GLU A 45 22.805 5.314 -1.275 1.00 15.20 O ATOM 0 H GLU A 45 24.937 7.104 -5.684 1.00 14.31 H new ATOM 0 HA GLU A 45 26.720 5.107 -4.441 1.00 65.40 H new ATOM 0 HB2 GLU A 45 23.773 4.667 -4.288 1.00 12.10 H new ATOM 0 HB3 GLU A 45 25.050 4.102 -3.231 1.00 12.10 H new ATOM 0 HG2 GLU A 45 25.291 6.768 -2.766 1.00 45.24 H new ATOM 0 HG3 GLU A 45 23.599 6.734 -3.222 1.00 45.24 H new ATOM 676 N LYS A 46 24.538 5.032 -6.903 1.00 42.40 N ATOM 677 CA LYS A 46 24.224 4.394 -8.170 1.00 21.21 C ATOM 678 C LYS A 46 24.488 5.378 -9.311 1.00 63.34 C ATOM 679 O LYS A 46 25.042 6.454 -9.092 1.00 63.23 O ATOM 680 CB LYS A 46 22.798 3.841 -8.152 1.00 55.11 C ATOM 681 CG LYS A 46 21.835 4.829 -7.490 1.00 51.35 C ATOM 682 CD LYS A 46 21.712 6.111 -8.316 1.00 41.52 C ATOM 683 CE LYS A 46 22.394 7.285 -7.611 1.00 4.21 C ATOM 684 NZ LYS A 46 21.801 8.569 -8.048 1.00 61.44 N ATOM 0 H LYS A 46 23.943 5.826 -6.666 1.00 42.40 H new ATOM 0 HA LYS A 46 24.873 3.534 -8.335 1.00 21.21 H new ATOM 0 HB2 LYS A 46 22.471 3.636 -9.171 1.00 55.11 H new ATOM 0 HB3 LYS A 46 22.779 2.893 -7.614 1.00 55.11 H new ATOM 0 HG2 LYS A 46 20.854 4.368 -7.380 1.00 51.35 H new ATOM 0 HG3 LYS A 46 22.188 5.070 -6.487 1.00 51.35 H new ATOM 0 HD2 LYS A 46 22.162 5.960 -9.297 1.00 41.52 H new ATOM 0 HD3 LYS A 46 20.660 6.342 -8.480 1.00 41.52 H new ATOM 0 HE2 LYS A 46 22.290 7.178 -6.531 1.00 4.21 H new ATOM 0 HE3 LYS A 46 23.462 7.278 -7.830 1.00 4.21 H new ATOM 0 HZ1 LYS A 46 22.521 9.318 -8.002 1.00 61.44 H new ATOM 0 HZ2 LYS A 46 21.458 8.478 -9.026 1.00 61.44 H new ATOM 0 HZ3 LYS A 46 21.006 8.815 -7.424 1.00 61.44 H new ATOM 697 N LYS A 47 24.079 4.973 -10.505 1.00 4.40 N ATOM 698 CA LYS A 47 24.265 5.806 -11.681 1.00 51.03 C ATOM 699 C LYS A 47 22.898 6.167 -12.266 1.00 70.00 C ATOM 700 O LYS A 47 22.810 6.952 -13.209 1.00 12.34 O ATOM 701 CB LYS A 47 25.200 5.121 -12.680 1.00 52.33 C ATOM 702 CG LYS A 47 24.404 4.385 -13.760 1.00 41.22 C ATOM 703 CD LYS A 47 23.728 3.138 -13.188 1.00 75.22 C ATOM 704 CE LYS A 47 24.757 2.191 -12.569 1.00 64.31 C ATOM 705 NZ LYS A 47 24.198 0.826 -12.445 1.00 52.12 N ATOM 0 H LYS A 47 23.620 4.080 -10.683 1.00 4.40 H new ATOM 0 HA LYS A 47 24.754 6.742 -11.412 1.00 51.03 H new ATOM 0 HB2 LYS A 47 25.849 5.864 -13.144 1.00 52.33 H new ATOM 0 HB3 LYS A 47 25.846 4.417 -12.155 1.00 52.33 H new ATOM 0 HG2 LYS A 47 23.650 5.052 -14.179 1.00 41.22 H new ATOM 0 HG3 LYS A 47 25.068 4.101 -14.576 1.00 41.22 H new ATOM 0 HD2 LYS A 47 22.997 3.430 -12.434 1.00 75.22 H new ATOM 0 HD3 LYS A 47 23.182 2.622 -13.978 1.00 75.22 H new ATOM 0 HE2 LYS A 47 25.655 2.168 -13.186 1.00 64.31 H new ATOM 0 HE3 LYS A 47 25.054 2.559 -11.587 1.00 64.31 H new ATOM 0 HZ1 LYS A 47 24.910 0.196 -12.023 1.00 52.12 H new ATOM 0 HZ2 LYS A 47 23.354 0.850 -11.838 1.00 52.12 H new ATOM 0 HZ3 LYS A 47 23.937 0.471 -13.387 1.00 52.12 H new ATOM 718 N TYR A 48 21.866 5.576 -11.682 1.00 54.25 N ATOM 719 CA TYR A 48 20.507 5.826 -12.134 1.00 22.41 C ATOM 720 C TYR A 48 19.490 5.407 -11.070 1.00 3.41 C ATOM 721 O TYR A 48 19.488 4.260 -10.626 1.00 14.44 O ATOM 722 CB TYR A 48 20.311 4.958 -13.379 1.00 14.41 C ATOM 723 CG TYR A 48 19.554 3.655 -13.116 1.00 63.21 C ATOM 724 CD1 TYR A 48 18.214 3.688 -12.789 1.00 11.53 C ATOM 725 CD2 TYR A 48 20.212 2.445 -13.206 1.00 42.04 C ATOM 726 CE1 TYR A 48 17.502 2.461 -12.541 1.00 40.53 C ATOM 727 CE2 TYR A 48 19.500 1.218 -12.959 1.00 64.00 C ATOM 728 CZ TYR A 48 18.180 1.287 -12.639 1.00 24.33 C ATOM 729 OH TYR A 48 17.508 0.128 -12.405 1.00 60.11 O ATOM 0 H TYR A 48 21.943 4.925 -10.900 1.00 54.25 H new ATOM 0 HA TYR A 48 20.358 6.887 -12.336 1.00 22.41 H new ATOM 0 HB2 TYR A 48 19.771 5.535 -14.130 1.00 14.41 H new ATOM 0 HB3 TYR A 48 21.287 4.720 -13.801 1.00 14.41 H new ATOM 0 HD1 TYR A 48 17.699 4.635 -12.719 1.00 11.53 H new ATOM 0 HD2 TYR A 48 21.261 2.419 -13.462 1.00 42.04 H new ATOM 0 HE1 TYR A 48 16.453 2.473 -12.283 1.00 40.53 H new ATOM 0 HE2 TYR A 48 20.003 0.265 -13.026 1.00 64.00 H new ATOM 0 HH TYR A 48 18.118 -0.631 -12.512 1.00 60.11 H new ATOM 739 N TYR A 49 18.651 6.361 -10.692 1.00 62.50 N ATOM 740 CA TYR A 49 17.632 6.105 -9.689 1.00 13.44 C ATOM 741 C TYR A 49 16.229 6.246 -10.284 1.00 22.02 C ATOM 742 O TYR A 49 16.073 6.326 -11.501 1.00 52.32 O ATOM 743 CB TYR A 49 17.825 7.174 -8.610 1.00 74.34 C ATOM 744 CG TYR A 49 18.567 6.677 -7.368 1.00 53.11 C ATOM 745 CD1 TYR A 49 18.331 5.406 -6.886 1.00 32.24 C ATOM 746 CD2 TYR A 49 19.472 7.500 -6.730 1.00 1.40 C ATOM 747 CE1 TYR A 49 19.029 4.938 -5.716 1.00 43.43 C ATOM 748 CE2 TYR A 49 20.171 7.033 -5.561 1.00 14.03 C ATOM 749 CZ TYR A 49 19.915 5.775 -5.112 1.00 13.15 C ATOM 750 OH TYR A 49 20.574 5.334 -4.007 1.00 64.32 O ATOM 0 H TYR A 49 18.656 7.311 -11.062 1.00 62.50 H new ATOM 0 HA TYR A 49 17.725 5.092 -9.297 1.00 13.44 H new ATOM 0 HB2 TYR A 49 18.375 8.012 -9.038 1.00 74.34 H new ATOM 0 HB3 TYR A 49 16.848 7.553 -8.310 1.00 74.34 H new ATOM 0 HD1 TYR A 49 17.623 4.762 -7.386 1.00 32.24 H new ATOM 0 HD2 TYR A 49 19.656 8.495 -7.108 1.00 1.40 H new ATOM 0 HE1 TYR A 49 18.853 3.946 -5.327 1.00 43.43 H new ATOM 0 HE2 TYR A 49 20.882 7.667 -5.052 1.00 14.03 H new ATOM 0 HH TYR A 49 21.175 6.037 -3.682 1.00 64.32 H new ATOM 760 N LEU A 50 15.245 6.271 -9.397 1.00 53.44 N ATOM 761 CA LEU A 50 13.860 6.401 -9.820 1.00 25.21 C ATOM 762 C LEU A 50 13.186 7.509 -9.009 1.00 51.33 C ATOM 763 O LEU A 50 13.801 8.095 -8.120 1.00 45.41 O ATOM 764 CB LEU A 50 13.145 5.051 -9.731 1.00 52.50 C ATOM 765 CG LEU A 50 13.608 3.980 -10.720 1.00 62.00 C ATOM 766 CD1 LEU A 50 14.568 2.994 -10.050 1.00 54.15 C ATOM 767 CD2 LEU A 50 12.413 3.271 -11.361 1.00 1.43 C ATOM 0 H LEU A 50 15.379 6.204 -8.388 1.00 53.44 H new ATOM 0 HA LEU A 50 13.807 6.696 -10.868 1.00 25.21 H new ATOM 0 HB2 LEU A 50 13.270 4.662 -8.720 1.00 52.50 H new ATOM 0 HB3 LEU A 50 12.078 5.217 -9.879 1.00 52.50 H new ATOM 0 HG LEU A 50 14.158 4.471 -11.522 1.00 62.00 H new ATOM 0 HD11 LEU A 50 14.882 2.243 -10.775 1.00 54.15 H new ATOM 0 HD12 LEU A 50 15.442 3.531 -9.681 1.00 54.15 H new ATOM 0 HD13 LEU A 50 14.064 2.505 -9.216 1.00 54.15 H new ATOM 0 HD21 LEU A 50 12.771 2.515 -12.060 1.00 1.43 H new ATOM 0 HD22 LEU A 50 11.814 2.794 -10.585 1.00 1.43 H new ATOM 0 HD23 LEU A 50 11.802 3.999 -11.895 1.00 1.43 H new ATOM 779 N PHE A 51 11.930 7.763 -9.345 1.00 52.43 N ATOM 780 CA PHE A 51 11.165 8.791 -8.660 1.00 10.23 C ATOM 781 C PHE A 51 9.673 8.668 -8.977 1.00 43.32 C ATOM 782 O PHE A 51 9.248 8.952 -10.096 1.00 32.50 O ATOM 783 CB PHE A 51 11.673 10.141 -9.169 1.00 41.41 C ATOM 784 CG PHE A 51 12.668 10.827 -8.230 1.00 32.52 C ATOM 785 CD1 PHE A 51 12.242 11.336 -7.043 1.00 40.41 C ATOM 786 CD2 PHE A 51 13.978 10.926 -8.582 1.00 33.32 C ATOM 787 CE1 PHE A 51 13.165 11.972 -6.171 1.00 42.24 C ATOM 788 CE2 PHE A 51 14.901 11.562 -7.710 1.00 71.41 C ATOM 789 CZ PHE A 51 14.475 12.072 -6.523 1.00 61.53 C ATOM 0 H PHE A 51 11.423 7.274 -10.083 1.00 52.43 H new ATOM 0 HA PHE A 51 11.289 8.690 -7.582 1.00 10.23 H new ATOM 0 HB2 PHE A 51 12.146 9.997 -10.140 1.00 41.41 H new ATOM 0 HB3 PHE A 51 10.821 10.803 -9.325 1.00 41.41 H new ATOM 0 HD1 PHE A 51 11.202 11.257 -6.764 1.00 40.41 H new ATOM 0 HD2 PHE A 51 14.316 10.521 -9.524 1.00 33.32 H new ATOM 0 HE1 PHE A 51 12.827 12.376 -5.228 1.00 42.24 H new ATOM 0 HE2 PHE A 51 15.941 11.641 -7.989 1.00 71.41 H new ATOM 0 HZ PHE A 51 15.177 12.556 -5.860 1.00 61.53 H new ATOM 799 N GLY A 52 8.920 8.246 -7.973 1.00 30.54 N ATOM 800 CA GLY A 52 7.485 8.082 -8.131 1.00 31.42 C ATOM 801 C GLY A 52 6.792 7.979 -6.771 1.00 15.13 C ATOM 802 O GLY A 52 6.599 8.986 -6.090 1.00 65.24 O ATOM 0 H GLY A 52 9.276 8.012 -7.046 1.00 30.54 H new ATOM 0 HA2 GLY A 52 7.078 8.926 -8.688 1.00 31.42 H new ATOM 0 HA3 GLY A 52 7.280 7.186 -8.716 1.00 31.42 H new ATOM 806 N ARG A 53 6.435 6.754 -6.415 1.00 31.31 N ATOM 807 CA ARG A 53 5.767 6.507 -5.148 1.00 70.33 C ATOM 808 C ARG A 53 5.997 5.062 -4.700 1.00 73.11 C ATOM 809 O ARG A 53 6.252 4.806 -3.524 1.00 53.23 O ATOM 810 CB ARG A 53 4.263 6.766 -5.259 1.00 3.22 C ATOM 811 CG ARG A 53 3.925 7.482 -6.568 1.00 2.41 C ATOM 812 CD ARG A 53 2.420 7.730 -6.685 1.00 12.15 C ATOM 813 NE ARG A 53 1.727 6.473 -7.045 1.00 53.34 N ATOM 814 CZ ARG A 53 0.402 6.383 -7.290 1.00 62.14 C ATOM 815 NH1 ARG A 53 -0.385 7.477 -7.215 1.00 42.21 N ATOM 816 NH2 ARG A 53 -0.112 5.208 -7.605 1.00 1.44 N ATOM 0 H ARG A 53 6.596 5.921 -6.982 1.00 31.31 H new ATOM 0 HA ARG A 53 6.189 7.191 -4.412 1.00 70.33 H new ATOM 0 HB2 ARG A 53 3.723 5.821 -5.207 1.00 3.22 H new ATOM 0 HB3 ARG A 53 3.931 7.369 -4.414 1.00 3.22 H new ATOM 0 HG2 ARG A 53 4.458 8.431 -6.615 1.00 2.41 H new ATOM 0 HG3 ARG A 53 4.265 6.883 -7.413 1.00 2.41 H new ATOM 0 HD2 ARG A 53 2.031 8.112 -5.741 1.00 12.15 H new ATOM 0 HD3 ARG A 53 2.226 8.491 -7.441 1.00 12.15 H new ATOM 0 HE ARG A 53 2.285 5.622 -7.112 1.00 53.34 H new ATOM 0 HH11 ARG A 53 0.020 8.381 -6.972 1.00 42.21 H new ATOM 0 HH12 ARG A 53 -1.385 7.400 -7.402 1.00 42.21 H new ATOM 0 HH21 ARG A 53 0.490 4.386 -7.660 1.00 1.44 H new ATOM 0 HH22 ARG A 53 -1.111 5.122 -7.793 1.00 1.44 H new ATOM 829 N ASN A 54 5.898 4.155 -5.661 1.00 11.10 N ATOM 830 CA ASN A 54 6.092 2.743 -5.380 1.00 33.31 C ATOM 831 C ASN A 54 7.590 2.442 -5.308 1.00 2.42 C ATOM 832 O ASN A 54 8.288 2.502 -6.319 1.00 3.33 O ATOM 833 CB ASN A 54 5.488 1.873 -6.485 1.00 11.44 C ATOM 834 CG ASN A 54 4.512 0.848 -5.904 1.00 25.32 C ATOM 835 OD1 ASN A 54 3.357 0.765 -6.287 1.00 10.44 O ATOM 836 ND2 ASN A 54 5.040 0.073 -4.961 1.00 24.14 N ATOM 0 H ASN A 54 5.686 4.371 -6.635 1.00 11.10 H new ATOM 0 HA ASN A 54 5.600 2.518 -4.434 1.00 33.31 H new ATOM 0 HB2 ASN A 54 4.971 2.504 -7.208 1.00 11.44 H new ATOM 0 HB3 ASN A 54 6.284 1.358 -7.023 1.00 11.44 H new ATOM 0 HD21 ASN A 54 4.470 -0.644 -4.512 1.00 24.14 H new ATOM 0 HD22 ASN A 54 6.015 0.195 -4.687 1.00 24.14 H new ATOM 843 N PRO A 55 8.052 2.117 -4.071 1.00 4.42 N ATOM 844 CA PRO A 55 9.455 1.808 -3.853 1.00 62.45 C ATOM 845 C PRO A 55 9.798 0.415 -4.385 1.00 71.45 C ATOM 846 O PRO A 55 10.962 0.116 -4.649 1.00 73.20 O ATOM 847 CB PRO A 55 9.659 1.937 -2.353 1.00 12.12 C ATOM 848 CG PRO A 55 8.272 1.858 -1.736 1.00 20.34 C ATOM 849 CD PRO A 55 7.255 2.036 -2.851 1.00 13.54 C ATOM 0 HA PRO A 55 10.122 2.481 -4.391 1.00 62.45 H new ATOM 0 HB2 PRO A 55 10.300 1.140 -1.976 1.00 12.12 H new ATOM 0 HB3 PRO A 55 10.144 2.881 -2.104 1.00 12.12 H new ATOM 0 HG2 PRO A 55 8.129 0.898 -1.239 1.00 20.34 H new ATOM 0 HG3 PRO A 55 8.147 2.631 -0.978 1.00 20.34 H new ATOM 0 HD2 PRO A 55 6.558 1.199 -2.888 1.00 13.54 H new ATOM 0 HD3 PRO A 55 6.662 2.939 -2.705 1.00 13.54 H new ATOM 857 N ASP A 56 8.763 -0.401 -4.528 1.00 3.43 N ATOM 858 CA ASP A 56 8.940 -1.755 -5.024 1.00 2.14 C ATOM 859 C ASP A 56 9.561 -1.705 -6.421 1.00 50.41 C ATOM 860 O ASP A 56 10.061 -2.712 -6.919 1.00 22.24 O ATOM 861 CB ASP A 56 7.599 -2.483 -5.128 1.00 55.22 C ATOM 862 CG ASP A 56 7.208 -3.299 -3.894 1.00 54.25 C ATOM 863 OD1 ASP A 56 7.644 -4.447 -3.723 1.00 41.25 O ATOM 864 OD2 ASP A 56 6.409 -2.702 -3.077 1.00 14.54 O ATOM 0 H ASP A 56 7.799 -0.150 -4.309 1.00 3.43 H new ATOM 0 HA ASP A 56 9.586 -2.288 -4.326 1.00 2.14 H new ATOM 0 HB2 ASP A 56 6.818 -1.748 -5.321 1.00 55.22 H new ATOM 0 HB3 ASP A 56 7.630 -3.149 -5.990 1.00 55.22 H new ATOM 870 N LEU A 57 9.508 -0.521 -7.015 1.00 24.41 N ATOM 871 CA LEU A 57 10.059 -0.326 -8.345 1.00 64.52 C ATOM 872 C LEU A 57 11.096 0.798 -8.303 1.00 61.04 C ATOM 873 O LEU A 57 12.198 0.651 -8.829 1.00 64.31 O ATOM 874 CB LEU A 57 8.939 -0.092 -9.360 1.00 73.32 C ATOM 875 CG LEU A 57 7.542 -0.551 -8.935 1.00 42.41 C ATOM 876 CD1 LEU A 57 6.470 0.029 -9.859 1.00 51.35 C ATOM 877 CD2 LEU A 57 7.466 -2.077 -8.856 1.00 4.32 C ATOM 0 H LEU A 57 9.092 0.312 -6.599 1.00 24.41 H new ATOM 0 HA LEU A 57 10.577 -1.225 -8.678 1.00 64.52 H new ATOM 0 HB2 LEU A 57 8.897 0.974 -9.586 1.00 73.32 H new ATOM 0 HB3 LEU A 57 9.202 -0.604 -10.286 1.00 73.32 H new ATOM 0 HG LEU A 57 7.346 -0.167 -7.934 1.00 42.41 H new ATOM 0 HD11 LEU A 57 5.487 -0.313 -9.535 1.00 51.35 H new ATOM 0 HD12 LEU A 57 6.507 1.118 -9.821 1.00 51.35 H new ATOM 0 HD13 LEU A 57 6.651 -0.304 -10.881 1.00 51.35 H new ATOM 0 HD21 LEU A 57 6.463 -2.376 -8.552 1.00 4.32 H new ATOM 0 HD22 LEU A 57 7.691 -2.504 -9.833 1.00 4.32 H new ATOM 0 HD23 LEU A 57 8.190 -2.440 -8.126 1.00 4.32 H new ATOM 889 N CYS A 58 10.706 1.896 -7.673 1.00 51.12 N ATOM 890 CA CYS A 58 11.588 3.045 -7.556 1.00 13.10 C ATOM 891 C CYS A 58 12.362 2.924 -6.242 1.00 63.02 C ATOM 892 O CYS A 58 11.995 2.137 -5.371 1.00 70.12 O ATOM 893 CB CYS A 58 10.815 4.363 -7.644 1.00 32.44 C ATOM 894 SG CYS A 58 9.778 4.381 -9.151 1.00 74.41 S ATOM 0 H CYS A 58 9.791 2.015 -7.238 1.00 51.12 H new ATOM 0 HA CYS A 58 12.289 3.055 -8.390 1.00 13.10 H new ATOM 0 HB2 CYS A 58 10.189 4.487 -6.760 1.00 32.44 H new ATOM 0 HB3 CYS A 58 11.511 5.202 -7.661 1.00 32.44 H new ATOM 0 HG CYS A 58 8.549 4.658 -8.829 1.00 74.41 H new ATOM 900 N ASP A 59 13.420 3.715 -6.141 1.00 10.43 N ATOM 901 CA ASP A 59 14.249 3.707 -4.948 1.00 25.23 C ATOM 902 C ASP A 59 13.751 4.780 -3.977 1.00 61.35 C ATOM 903 O ASP A 59 13.843 4.614 -2.762 1.00 63.22 O ATOM 904 CB ASP A 59 15.708 4.019 -5.289 1.00 30.42 C ATOM 905 CG ASP A 59 16.740 3.401 -4.343 1.00 34.41 C ATOM 906 OD1 ASP A 59 17.416 4.110 -3.584 1.00 11.43 O ATOM 907 OD2 ASP A 59 16.837 2.116 -4.407 1.00 30.13 O ATOM 0 H ASP A 59 13.722 4.366 -6.866 1.00 10.43 H new ATOM 0 HA ASP A 59 14.187 2.715 -4.502 1.00 25.23 H new ATOM 0 HB2 ASP A 59 15.911 3.671 -6.302 1.00 30.42 H new ATOM 0 HB3 ASP A 59 15.841 5.101 -5.291 1.00 30.42 H new ATOM 913 N PHE A 60 13.234 5.856 -4.551 1.00 12.32 N ATOM 914 CA PHE A 60 12.721 6.956 -3.752 1.00 13.21 C ATOM 915 C PHE A 60 11.191 6.972 -3.759 1.00 33.35 C ATOM 916 O PHE A 60 10.559 6.025 -4.225 1.00 32.25 O ATOM 917 CB PHE A 60 13.235 8.249 -4.388 1.00 53.12 C ATOM 918 CG PHE A 60 14.667 8.612 -3.991 1.00 21.53 C ATOM 919 CD1 PHE A 60 15.460 7.686 -3.388 1.00 3.05 C ATOM 920 CD2 PHE A 60 15.147 9.859 -4.241 1.00 1.35 C ATOM 921 CE1 PHE A 60 16.790 8.022 -3.019 1.00 13.43 C ATOM 922 CE2 PHE A 60 16.476 10.196 -3.872 1.00 24.33 C ATOM 923 CZ PHE A 60 17.270 9.270 -3.269 1.00 13.24 C ATOM 0 H PHE A 60 13.159 5.990 -5.559 1.00 12.32 H new ATOM 0 HA PHE A 60 13.052 6.851 -2.719 1.00 13.21 H new ATOM 0 HB2 PHE A 60 13.183 8.154 -5.473 1.00 53.12 H new ATOM 0 HB3 PHE A 60 12.573 9.068 -4.108 1.00 53.12 H new ATOM 0 HD1 PHE A 60 15.079 6.695 -3.190 1.00 3.05 H new ATOM 0 HD2 PHE A 60 14.517 10.594 -4.721 1.00 1.35 H new ATOM 0 HE1 PHE A 60 17.420 7.287 -2.540 1.00 13.43 H new ATOM 0 HE2 PHE A 60 16.857 11.187 -4.070 1.00 24.33 H new ATOM 0 HZ PHE A 60 18.281 9.526 -2.989 1.00 13.24 H new ATOM 933 N THR A 61 10.639 8.057 -3.236 1.00 45.31 N ATOM 934 CA THR A 61 9.196 8.209 -3.176 1.00 74.40 C ATOM 935 C THR A 61 8.816 9.690 -3.133 1.00 51.01 C ATOM 936 O THR A 61 9.176 10.400 -2.196 1.00 3.05 O ATOM 937 CB THR A 61 8.687 7.416 -1.970 1.00 71.24 C ATOM 938 OG1 THR A 61 9.698 7.599 -0.983 1.00 15.43 O ATOM 939 CG2 THR A 61 8.682 5.907 -2.222 1.00 34.41 C ATOM 0 H THR A 61 11.166 8.840 -2.850 1.00 45.31 H new ATOM 0 HA THR A 61 8.719 7.810 -4.071 1.00 74.40 H new ATOM 0 HB THR A 61 7.679 7.746 -1.718 1.00 71.24 H new ATOM 0 HG1 THR A 61 9.448 7.119 -0.166 1.00 15.43 H new ATOM 0 HG21 THR A 61 8.312 5.391 -1.336 1.00 34.41 H new ATOM 0 HG22 THR A 61 8.034 5.682 -3.069 1.00 34.41 H new ATOM 0 HG23 THR A 61 9.696 5.571 -2.441 1.00 34.41 H new ATOM 947 N ILE A 62 8.093 10.113 -4.160 1.00 22.31 N ATOM 948 CA ILE A 62 7.661 11.497 -4.251 1.00 73.14 C ATOM 949 C ILE A 62 6.661 11.789 -3.131 1.00 55.31 C ATOM 950 O ILE A 62 6.596 12.910 -2.629 1.00 12.22 O ATOM 951 CB ILE A 62 7.122 11.798 -5.651 1.00 52.52 C ATOM 952 CG1 ILE A 62 8.121 11.370 -6.728 1.00 3.34 C ATOM 953 CG2 ILE A 62 6.733 13.272 -5.783 1.00 44.54 C ATOM 954 CD1 ILE A 62 7.627 11.761 -8.122 1.00 13.03 C ATOM 0 H ILE A 62 7.796 9.521 -4.936 1.00 22.31 H new ATOM 0 HA ILE A 62 8.506 12.171 -4.108 1.00 73.14 H new ATOM 0 HB ILE A 62 6.216 11.211 -5.802 1.00 52.52 H new ATOM 0 HG12 ILE A 62 9.088 11.835 -6.537 1.00 3.34 H new ATOM 0 HG13 ILE A 62 8.272 10.291 -6.681 1.00 3.34 H new ATOM 0 HG21 ILE A 62 6.353 13.459 -6.787 1.00 44.54 H new ATOM 0 HG22 ILE A 62 5.960 13.511 -5.052 1.00 44.54 H new ATOM 0 HG23 ILE A 62 7.608 13.897 -5.604 1.00 44.54 H new ATOM 0 HD11 ILE A 62 8.356 11.445 -8.868 1.00 13.03 H new ATOM 0 HD12 ILE A 62 6.672 11.275 -8.319 1.00 13.03 H new ATOM 0 HD13 ILE A 62 7.501 12.842 -8.173 1.00 13.03 H new ATOM 966 N ASP A 63 5.905 10.761 -2.772 1.00 45.44 N ATOM 967 CA ASP A 63 4.912 10.894 -1.721 1.00 35.03 C ATOM 968 C ASP A 63 3.876 11.942 -2.133 1.00 72.10 C ATOM 969 O ASP A 63 3.847 13.041 -1.583 1.00 10.55 O ATOM 970 CB ASP A 63 5.554 11.354 -0.411 1.00 11.04 C ATOM 971 CG ASP A 63 4.570 11.654 0.722 1.00 53.23 C ATOM 972 OD1 ASP A 63 4.438 12.805 1.166 1.00 64.54 O ATOM 973 OD2 ASP A 63 3.912 10.634 1.157 1.00 74.52 O ATOM 0 H ASP A 63 5.961 9.833 -3.191 1.00 45.44 H new ATOM 0 HA ASP A 63 4.447 9.919 -1.572 1.00 35.03 H new ATOM 0 HB2 ASP A 63 6.248 10.584 -0.074 1.00 11.04 H new ATOM 0 HB3 ASP A 63 6.142 12.250 -0.608 1.00 11.04 H new ATOM 979 N HIS A 64 3.051 11.564 -3.098 1.00 75.02 N ATOM 980 CA HIS A 64 2.016 12.457 -3.591 1.00 12.44 C ATOM 981 C HIS A 64 0.802 11.640 -4.037 1.00 13.15 C ATOM 982 O HIS A 64 0.676 10.467 -3.687 1.00 51.53 O ATOM 983 CB HIS A 64 2.561 13.362 -4.698 1.00 32.13 C ATOM 984 CG HIS A 64 2.097 14.796 -4.604 1.00 35.25 C ATOM 985 ND1 HIS A 64 1.168 15.342 -5.473 1.00 24.12 N ATOM 986 CD2 HIS A 64 2.441 15.789 -3.734 1.00 70.23 C ATOM 987 CE1 HIS A 64 0.971 16.607 -5.133 1.00 44.34 C ATOM 988 NE2 HIS A 64 1.761 16.883 -4.056 1.00 64.51 N ATOM 0 H HIS A 64 3.078 10.651 -3.552 1.00 75.02 H new ATOM 0 HA HIS A 64 1.690 13.119 -2.789 1.00 12.44 H new ATOM 0 HB2 HIS A 64 3.650 13.341 -4.667 1.00 32.13 H new ATOM 0 HB3 HIS A 64 2.262 12.957 -5.665 1.00 32.13 H new ATOM 0 HD2 HIS A 64 3.147 15.700 -2.921 1.00 70.23 H new ATOM 0 HE1 HIS A 64 0.302 17.299 -5.623 1.00 44.34 H new ATOM 0 HE2 HIS A 64 1.820 17.782 -3.577 1.00 64.51 H new ATOM 996 N GLN A 65 -0.061 12.292 -4.802 1.00 14.04 N ATOM 997 CA GLN A 65 -1.261 11.641 -5.299 1.00 73.41 C ATOM 998 C GLN A 65 -1.260 11.622 -6.829 1.00 1.30 C ATOM 999 O GLN A 65 -1.713 10.657 -7.442 1.00 51.12 O ATOM 1000 CB GLN A 65 -2.520 12.324 -4.760 1.00 64.31 C ATOM 1001 CG GLN A 65 -2.921 13.508 -5.642 1.00 32.12 C ATOM 1002 CD GLN A 65 -4.134 14.238 -5.060 1.00 44.05 C ATOM 1003 OE1 GLN A 65 -5.201 14.290 -5.650 1.00 4.22 O ATOM 1004 NE2 GLN A 65 -3.911 14.797 -3.874 1.00 41.14 N ATOM 0 H GLN A 65 0.047 13.265 -5.090 1.00 14.04 H new ATOM 0 HA GLN A 65 -1.266 10.611 -4.942 1.00 73.41 H new ATOM 0 HB2 GLN A 65 -3.338 11.605 -4.716 1.00 64.31 H new ATOM 0 HB3 GLN A 65 -2.344 12.668 -3.741 1.00 64.31 H new ATOM 0 HG2 GLN A 65 -2.084 14.200 -5.731 1.00 32.12 H new ATOM 0 HG3 GLN A 65 -3.152 13.156 -6.647 1.00 32.12 H new ATOM 0 HE21 GLN A 65 -2.993 14.715 -3.436 1.00 41.14 H new ATOM 0 HE22 GLN A 65 -4.658 15.308 -3.402 1.00 41.14 H new ATOM 1013 N SER A 66 -0.745 12.701 -7.401 1.00 74.34 N ATOM 1014 CA SER A 66 -0.679 12.821 -8.848 1.00 31.30 C ATOM 1015 C SER A 66 0.477 11.978 -9.390 1.00 40.15 C ATOM 1016 O SER A 66 0.335 11.306 -10.411 1.00 34.35 O ATOM 1017 CB SER A 66 -0.516 14.282 -9.273 1.00 31.55 C ATOM 1018 OG SER A 66 -1.142 15.177 -8.357 1.00 24.42 O ATOM 0 H SER A 66 -0.370 13.499 -6.889 1.00 74.34 H new ATOM 0 HA SER A 66 -1.616 12.452 -9.265 1.00 31.30 H new ATOM 0 HB2 SER A 66 0.545 14.522 -9.347 1.00 31.55 H new ATOM 0 HB3 SER A 66 -0.944 14.421 -10.266 1.00 31.55 H new ATOM 0 HG SER A 66 -1.014 16.100 -8.662 1.00 24.42 H new ATOM 1024 N CYS A 67 1.596 12.042 -8.684 1.00 41.21 N ATOM 1025 CA CYS A 67 2.776 11.293 -9.082 1.00 1.51 C ATOM 1026 C CYS A 67 2.347 9.864 -9.417 1.00 64.41 C ATOM 1027 O CYS A 67 1.218 9.467 -9.132 1.00 44.41 O ATOM 1028 CB CYS A 67 3.858 11.326 -8.001 1.00 0.44 C ATOM 1029 SG CYS A 67 3.191 10.669 -6.428 1.00 65.23 S ATOM 0 H CYS A 67 1.711 12.601 -7.839 1.00 41.21 H new ATOM 0 HA CYS A 67 3.222 11.753 -9.964 1.00 1.51 H new ATOM 0 HB2 CYS A 67 4.717 10.734 -8.317 1.00 0.44 H new ATOM 0 HB3 CYS A 67 4.210 12.348 -7.858 1.00 0.44 H new ATOM 0 HG CYS A 67 4.118 10.699 -5.517 1.00 65.23 H new ATOM 1035 N SER A 68 3.272 9.128 -10.018 1.00 15.15 N ATOM 1036 CA SER A 68 3.003 7.751 -10.395 1.00 23.35 C ATOM 1037 C SER A 68 4.124 6.841 -9.886 1.00 41.45 C ATOM 1038 O SER A 68 5.193 7.319 -9.510 1.00 1.14 O ATOM 1039 CB SER A 68 2.855 7.614 -11.911 1.00 60.31 C ATOM 1040 OG SER A 68 2.240 6.381 -12.278 1.00 45.42 O ATOM 0 H SER A 68 4.208 9.460 -10.253 1.00 15.15 H new ATOM 0 HA SER A 68 2.061 7.448 -9.937 1.00 23.35 H new ATOM 0 HB2 SER A 68 2.261 8.444 -12.294 1.00 60.31 H new ATOM 0 HB3 SER A 68 3.837 7.683 -12.379 1.00 60.31 H new ATOM 0 HG SER A 68 2.162 6.332 -13.254 1.00 45.42 H new ATOM 1046 N ARG A 69 3.841 5.547 -9.893 1.00 1.13 N ATOM 1047 CA ARG A 69 4.812 4.567 -9.437 1.00 71.42 C ATOM 1048 C ARG A 69 6.224 4.988 -9.847 1.00 45.02 C ATOM 1049 O ARG A 69 7.126 5.043 -9.013 1.00 4.34 O ATOM 1050 CB ARG A 69 4.511 3.183 -10.017 1.00 43.24 C ATOM 1051 CG ARG A 69 3.364 2.510 -9.262 1.00 75.45 C ATOM 1052 CD ARG A 69 2.063 2.579 -10.066 1.00 64.32 C ATOM 1053 NE ARG A 69 1.180 1.450 -9.698 1.00 22.30 N ATOM 1054 CZ ARG A 69 1.338 0.187 -10.149 1.00 20.03 C ATOM 1055 NH1 ARG A 69 2.349 -0.119 -10.990 1.00 55.10 N ATOM 1056 NH2 ARG A 69 0.489 -0.744 -9.755 1.00 23.05 N ATOM 0 H ARG A 69 2.954 5.154 -10.207 1.00 1.13 H new ATOM 0 HA ARG A 69 4.746 4.516 -8.350 1.00 71.42 H new ATOM 0 HB2 ARG A 69 4.252 3.275 -11.072 1.00 43.24 H new ATOM 0 HB3 ARG A 69 5.403 2.559 -9.961 1.00 43.24 H new ATOM 0 HG2 ARG A 69 3.617 1.469 -9.062 1.00 75.45 H new ATOM 0 HG3 ARG A 69 3.225 2.996 -8.296 1.00 75.45 H new ATOM 0 HD2 ARG A 69 1.557 3.525 -9.874 1.00 64.32 H new ATOM 0 HD3 ARG A 69 2.283 2.546 -11.133 1.00 64.32 H new ATOM 0 HE ARG A 69 0.403 1.638 -9.064 1.00 22.30 H new ATOM 0 HH11 ARG A 69 3.001 0.606 -11.289 1.00 55.10 H new ATOM 0 HH12 ARG A 69 2.461 -1.076 -11.326 1.00 55.10 H new ATOM 0 HH21 ARG A 69 -0.272 -0.504 -9.119 1.00 23.05 H new ATOM 0 HH22 ARG A 69 0.594 -1.703 -10.086 1.00 23.05 H new ATOM 1069 N VAL A 70 6.373 5.274 -11.132 1.00 55.53 N ATOM 1070 CA VAL A 70 7.660 5.689 -11.663 1.00 40.30 C ATOM 1071 C VAL A 70 7.496 7.016 -12.408 1.00 24.23 C ATOM 1072 O VAL A 70 7.661 7.073 -13.625 1.00 63.33 O ATOM 1073 CB VAL A 70 8.247 4.580 -12.539 1.00 12.40 C ATOM 1074 CG1 VAL A 70 9.774 4.664 -12.579 1.00 31.30 C ATOM 1075 CG2 VAL A 70 7.785 3.202 -12.061 1.00 51.22 C ATOM 0 H VAL A 70 5.623 5.226 -11.822 1.00 55.53 H new ATOM 0 HA VAL A 70 8.371 5.856 -10.854 1.00 40.30 H new ATOM 0 HB VAL A 70 7.877 4.723 -13.554 1.00 12.40 H new ATOM 0 HG11 VAL A 70 10.166 3.865 -13.208 1.00 31.30 H new ATOM 0 HG12 VAL A 70 10.075 5.629 -12.988 1.00 31.30 H new ATOM 0 HG13 VAL A 70 10.171 4.559 -11.569 1.00 31.30 H new ATOM 0 HG21 VAL A 70 8.216 2.432 -12.700 1.00 51.22 H new ATOM 0 HG22 VAL A 70 8.112 3.045 -11.033 1.00 51.22 H new ATOM 0 HG23 VAL A 70 6.697 3.146 -12.109 1.00 51.22 H new ATOM 1085 N HIS A 71 7.174 8.050 -11.645 1.00 31.01 N ATOM 1086 CA HIS A 71 6.986 9.372 -12.217 1.00 42.32 C ATOM 1087 C HIS A 71 8.142 9.689 -13.169 1.00 32.53 C ATOM 1088 O HIS A 71 7.919 10.103 -14.305 1.00 44.22 O ATOM 1089 CB HIS A 71 6.820 10.422 -11.117 1.00 21.04 C ATOM 1090 CG HIS A 71 6.665 11.833 -11.632 1.00 4.00 C ATOM 1091 ND1 HIS A 71 5.582 12.633 -11.314 1.00 32.24 N ATOM 1092 CD2 HIS A 71 7.468 12.578 -12.445 1.00 23.10 C ATOM 1093 CE1 HIS A 71 5.735 13.804 -11.914 1.00 64.32 C ATOM 1094 NE2 HIS A 71 6.905 13.768 -12.615 1.00 71.53 N ATOM 0 H HIS A 71 7.039 7.999 -10.635 1.00 31.01 H new ATOM 0 HA HIS A 71 6.065 9.392 -12.800 1.00 42.32 H new ATOM 0 HB2 HIS A 71 5.947 10.168 -10.515 1.00 21.04 H new ATOM 0 HB3 HIS A 71 7.686 10.381 -10.456 1.00 21.04 H new ATOM 0 HD2 HIS A 71 8.403 12.254 -12.877 1.00 23.10 H new ATOM 0 HE1 HIS A 71 5.054 14.640 -11.858 1.00 64.32 H new ATOM 0 HE2 HIS A 71 7.284 14.530 -13.177 1.00 71.53 H new ATOM 1103 N ALA A 72 9.351 9.481 -12.669 1.00 61.40 N ATOM 1104 CA ALA A 72 10.542 9.738 -13.460 1.00 43.33 C ATOM 1105 C ALA A 72 11.712 8.933 -12.891 1.00 32.33 C ATOM 1106 O ALA A 72 11.530 8.128 -11.979 1.00 32.52 O ATOM 1107 CB ALA A 72 10.826 11.242 -13.482 1.00 34.30 C ATOM 0 H ALA A 72 9.531 9.137 -11.726 1.00 61.40 H new ATOM 0 HA ALA A 72 10.393 9.418 -14.491 1.00 43.33 H new ATOM 0 HB1 ALA A 72 11.720 11.435 -14.075 1.00 34.30 H new ATOM 0 HB2 ALA A 72 9.978 11.766 -13.922 1.00 34.30 H new ATOM 0 HB3 ALA A 72 10.983 11.598 -12.464 1.00 34.30 H new ATOM 1113 N ALA A 73 12.887 9.178 -13.452 1.00 74.10 N ATOM 1114 CA ALA A 73 14.086 8.485 -13.011 1.00 54.35 C ATOM 1115 C ALA A 73 15.301 9.388 -13.232 1.00 51.12 C ATOM 1116 O ALA A 73 15.371 10.109 -14.226 1.00 53.23 O ATOM 1117 CB ALA A 73 14.207 7.152 -13.753 1.00 0.51 C ATOM 0 H ALA A 73 13.034 9.847 -14.208 1.00 74.10 H new ATOM 0 HA ALA A 73 14.031 8.261 -11.946 1.00 54.35 H new ATOM 0 HB1 ALA A 73 15.106 6.632 -13.423 1.00 0.51 H new ATOM 0 HB2 ALA A 73 13.333 6.537 -13.540 1.00 0.51 H new ATOM 0 HB3 ALA A 73 14.268 7.337 -14.825 1.00 0.51 H new ATOM 1123 N LEU A 74 16.229 9.319 -12.289 1.00 35.02 N ATOM 1124 CA LEU A 74 17.438 10.121 -12.368 1.00 14.13 C ATOM 1125 C LEU A 74 18.552 9.294 -13.012 1.00 10.12 C ATOM 1126 O LEU A 74 18.516 8.065 -12.980 1.00 14.04 O ATOM 1127 CB LEU A 74 17.802 10.677 -10.990 1.00 4.32 C ATOM 1128 CG LEU A 74 19.076 11.522 -10.923 1.00 44.13 C ATOM 1129 CD1 LEU A 74 18.992 12.554 -9.797 1.00 20.43 C ATOM 1130 CD2 LEU A 74 20.316 10.635 -10.797 1.00 25.15 C ATOM 0 H LEU A 74 16.168 8.720 -11.466 1.00 35.02 H new ATOM 0 HA LEU A 74 17.278 10.991 -13.005 1.00 14.13 H new ATOM 0 HB2 LEU A 74 16.969 11.282 -10.633 1.00 4.32 H new ATOM 0 HB3 LEU A 74 17.908 9.841 -10.299 1.00 4.32 H new ATOM 0 HG LEU A 74 19.169 12.074 -11.858 1.00 44.13 H new ATOM 0 HD11 LEU A 74 19.910 13.141 -9.772 1.00 20.43 H new ATOM 0 HD12 LEU A 74 18.143 13.215 -9.972 1.00 20.43 H new ATOM 0 HD13 LEU A 74 18.862 12.042 -8.843 1.00 20.43 H new ATOM 0 HD21 LEU A 74 21.208 11.260 -10.751 1.00 25.15 H new ATOM 0 HD22 LEU A 74 20.245 10.037 -9.888 1.00 25.15 H new ATOM 0 HD23 LEU A 74 20.380 9.974 -11.662 1.00 25.15 H new ATOM 1142 N VAL A 75 19.516 10.002 -13.582 1.00 23.42 N ATOM 1143 CA VAL A 75 20.639 9.348 -14.233 1.00 3.35 C ATOM 1144 C VAL A 75 21.872 10.250 -14.139 1.00 21.41 C ATOM 1145 O VAL A 75 21.817 11.423 -14.504 1.00 71.10 O ATOM 1146 CB VAL A 75 20.271 8.986 -15.673 1.00 3.41 C ATOM 1147 CG1 VAL A 75 21.478 8.417 -16.421 1.00 24.35 C ATOM 1148 CG2 VAL A 75 19.093 8.011 -15.709 1.00 63.21 C ATOM 0 H VAL A 75 19.543 11.021 -13.607 1.00 23.42 H new ATOM 0 HA VAL A 75 20.881 8.412 -13.729 1.00 3.35 H new ATOM 0 HB VAL A 75 19.964 9.900 -16.180 1.00 3.41 H new ATOM 0 HG11 VAL A 75 21.189 8.168 -17.442 1.00 24.35 H new ATOM 0 HG12 VAL A 75 22.277 9.159 -16.441 1.00 24.35 H new ATOM 0 HG13 VAL A 75 21.830 7.518 -15.914 1.00 24.35 H new ATOM 0 HG21 VAL A 75 18.852 7.770 -16.744 1.00 63.21 H new ATOM 0 HG22 VAL A 75 19.360 7.098 -15.177 1.00 63.21 H new ATOM 0 HG23 VAL A 75 18.227 8.469 -15.232 1.00 63.21 H new ATOM 1158 N TYR A 76 22.956 9.667 -13.648 1.00 32.33 N ATOM 1159 CA TYR A 76 24.200 10.402 -13.502 1.00 2.45 C ATOM 1160 C TYR A 76 25.095 10.215 -14.728 1.00 43.33 C ATOM 1161 O TYR A 76 25.643 9.135 -14.942 1.00 60.05 O ATOM 1162 CB TYR A 76 24.901 9.807 -12.278 1.00 53.34 C ATOM 1163 CG TYR A 76 26.181 10.542 -11.876 1.00 14.35 C ATOM 1164 CD1 TYR A 76 26.107 11.683 -11.103 1.00 0.44 C ATOM 1165 CD2 TYR A 76 27.409 10.064 -12.285 1.00 11.30 C ATOM 1166 CE1 TYR A 76 27.312 12.375 -10.723 1.00 53.13 C ATOM 1167 CE2 TYR A 76 28.614 10.756 -11.906 1.00 15.03 C ATOM 1168 CZ TYR A 76 28.506 11.877 -11.144 1.00 15.34 C ATOM 1169 OH TYR A 76 29.643 12.531 -10.785 1.00 63.44 O ATOM 0 H TYR A 76 22.998 8.694 -13.346 1.00 32.33 H new ATOM 0 HA TYR A 76 24.004 11.469 -13.394 1.00 2.45 H new ATOM 0 HB2 TYR A 76 24.209 9.816 -11.436 1.00 53.34 H new ATOM 0 HB3 TYR A 76 25.142 8.764 -12.481 1.00 53.34 H new ATOM 0 HD1 TYR A 76 25.146 12.057 -10.783 1.00 0.44 H new ATOM 0 HD2 TYR A 76 27.467 9.171 -12.889 1.00 11.30 H new ATOM 0 HE1 TYR A 76 27.269 13.268 -10.118 1.00 53.13 H new ATOM 0 HE2 TYR A 76 29.581 10.393 -12.220 1.00 15.03 H new ATOM 0 HH TYR A 76 29.453 13.487 -10.686 1.00 63.44 H new ATOM 1179 N HIS A 77 25.216 11.284 -15.502 1.00 10.34 N ATOM 1180 CA HIS A 77 26.035 11.251 -16.701 1.00 42.43 C ATOM 1181 C HIS A 77 27.486 10.946 -16.324 1.00 20.31 C ATOM 1182 O HIS A 77 27.900 11.186 -15.191 1.00 24.31 O ATOM 1183 CB HIS A 77 25.890 12.552 -17.494 1.00 1.01 C ATOM 1184 CG HIS A 77 25.832 12.356 -18.990 1.00 44.22 C ATOM 1185 ND1 HIS A 77 26.956 12.102 -19.757 1.00 3.31 N ATOM 1186 CD2 HIS A 77 24.775 12.379 -19.852 1.00 24.32 C ATOM 1187 CE1 HIS A 77 26.581 11.980 -21.022 1.00 11.34 C ATOM 1188 NE2 HIS A 77 25.229 12.152 -21.078 1.00 40.45 N ATOM 0 H HIS A 77 24.760 12.178 -15.322 1.00 10.34 H new ATOM 0 HA HIS A 77 25.691 10.452 -17.358 1.00 42.43 H new ATOM 0 HB2 HIS A 77 24.984 13.064 -17.170 1.00 1.01 H new ATOM 0 HB3 HIS A 77 26.729 13.206 -17.256 1.00 1.01 H new ATOM 0 HD2 HIS A 77 23.744 12.553 -19.582 1.00 24.32 H new ATOM 0 HE1 HIS A 77 27.231 11.780 -21.861 1.00 11.34 H new ATOM 0 HE2 HIS A 77 24.660 12.113 -21.924 1.00 40.45 H new ATOM 1196 N LYS A 78 28.218 10.420 -17.295 1.00 43.41 N ATOM 1197 CA LYS A 78 29.614 10.079 -17.079 1.00 41.31 C ATOM 1198 C LYS A 78 30.493 10.958 -17.971 1.00 63.24 C ATOM 1199 O LYS A 78 31.526 11.459 -17.530 1.00 42.43 O ATOM 1200 CB LYS A 78 29.837 8.579 -17.282 1.00 53.22 C ATOM 1201 CG LYS A 78 29.813 8.218 -18.769 1.00 34.32 C ATOM 1202 CD LYS A 78 29.539 6.725 -18.966 1.00 4.23 C ATOM 1203 CE LYS A 78 30.669 5.879 -18.375 1.00 74.51 C ATOM 1204 NZ LYS A 78 30.144 4.585 -17.883 1.00 73.04 N ATOM 0 H LYS A 78 27.871 10.222 -18.233 1.00 43.41 H new ATOM 0 HA LYS A 78 29.901 10.283 -16.047 1.00 41.31 H new ATOM 0 HB2 LYS A 78 30.794 8.288 -16.849 1.00 53.22 H new ATOM 0 HB3 LYS A 78 29.065 8.018 -16.755 1.00 53.22 H new ATOM 0 HG2 LYS A 78 29.046 8.802 -19.277 1.00 34.32 H new ATOM 0 HG3 LYS A 78 30.767 8.480 -19.226 1.00 34.32 H new ATOM 0 HD2 LYS A 78 28.594 6.459 -18.492 1.00 4.23 H new ATOM 0 HD3 LYS A 78 29.434 6.508 -20.029 1.00 4.23 H new ATOM 0 HE2 LYS A 78 31.434 5.704 -19.131 1.00 74.51 H new ATOM 0 HE3 LYS A 78 31.146 6.419 -17.557 1.00 74.51 H new ATOM 0 HZ1 LYS A 78 30.584 4.357 -16.969 1.00 73.04 H new ATOM 0 HZ2 LYS A 78 29.113 4.651 -17.764 1.00 73.04 H new ATOM 0 HZ3 LYS A 78 30.366 3.836 -18.570 1.00 73.04 H new ATOM 1217 N HIS A 79 30.051 11.117 -19.210 1.00 42.21 N ATOM 1218 CA HIS A 79 30.785 11.926 -20.168 1.00 51.43 C ATOM 1219 C HIS A 79 30.602 13.408 -19.835 1.00 1.41 C ATOM 1220 O HIS A 79 31.281 14.264 -20.400 1.00 43.11 O ATOM 1221 CB HIS A 79 30.368 11.585 -21.600 1.00 74.11 C ATOM 1222 CG HIS A 79 30.054 10.124 -21.816 1.00 72.43 C ATOM 1223 ND1 HIS A 79 31.019 9.192 -22.156 1.00 70.13 N ATOM 1224 CD2 HIS A 79 28.874 9.444 -21.736 1.00 52.24 C ATOM 1225 CE1 HIS A 79 30.435 8.009 -22.274 1.00 71.42 C ATOM 1226 NE2 HIS A 79 29.105 8.167 -22.014 1.00 43.10 N ATOM 0 H HIS A 79 29.194 10.699 -19.572 1.00 42.21 H new ATOM 0 HA HIS A 79 31.849 11.702 -20.098 1.00 51.43 H new ATOM 0 HB2 HIS A 79 29.492 12.177 -21.863 1.00 74.11 H new ATOM 0 HB3 HIS A 79 31.167 11.879 -22.280 1.00 74.11 H new ATOM 0 HD1 HIS A 79 32.011 9.384 -22.293 1.00 70.13 H new ATOM 0 HD2 HIS A 79 27.914 9.872 -21.488 1.00 52.24 H new ATOM 0 HE1 HIS A 79 30.926 7.082 -22.531 1.00 71.42 H new ATOM 1234 N LEU A 80 29.681 13.666 -18.918 1.00 51.42 N ATOM 1235 CA LEU A 80 29.400 15.030 -18.503 1.00 0.14 C ATOM 1236 C LEU A 80 29.720 15.181 -17.014 1.00 40.21 C ATOM 1237 O LEU A 80 30.063 16.270 -16.557 1.00 14.34 O ATOM 1238 CB LEU A 80 27.965 15.416 -18.865 1.00 75.23 C ATOM 1239 CG LEU A 80 27.573 15.239 -20.334 1.00 3.31 C ATOM 1240 CD1 LEU A 80 26.123 15.666 -20.570 1.00 43.41 C ATOM 1241 CD2 LEU A 80 28.546 15.980 -21.253 1.00 41.34 C ATOM 0 H LEU A 80 29.120 12.954 -18.451 1.00 51.42 H new ATOM 0 HA LEU A 80 30.039 15.731 -19.040 1.00 0.14 H new ATOM 0 HB2 LEU A 80 27.285 14.822 -18.254 1.00 75.23 H new ATOM 0 HB3 LEU A 80 27.811 16.460 -18.592 1.00 75.23 H new ATOM 0 HG LEU A 80 27.640 14.179 -20.581 1.00 3.31 H new ATOM 0 HD11 LEU A 80 25.870 15.530 -21.622 1.00 43.41 H new ATOM 0 HD12 LEU A 80 25.460 15.057 -19.956 1.00 43.41 H new ATOM 0 HD13 LEU A 80 26.004 16.716 -20.301 1.00 43.41 H new ATOM 0 HD21 LEU A 80 28.245 15.838 -22.291 1.00 41.34 H new ATOM 0 HD22 LEU A 80 28.534 17.043 -21.014 1.00 41.34 H new ATOM 0 HD23 LEU A 80 29.553 15.587 -21.110 1.00 41.34 H new ATOM 1253 N LYS A 81 29.597 14.072 -16.300 1.00 11.34 N ATOM 1254 CA LYS A 81 29.869 14.068 -14.872 1.00 73.32 C ATOM 1255 C LYS A 81 28.785 14.869 -14.148 1.00 72.14 C ATOM 1256 O LYS A 81 29.067 15.560 -13.171 1.00 22.12 O ATOM 1257 CB LYS A 81 31.289 14.565 -14.596 1.00 20.14 C ATOM 1258 CG LYS A 81 32.327 13.645 -15.241 1.00 44.35 C ATOM 1259 CD LYS A 81 32.663 14.108 -16.661 1.00 13.33 C ATOM 1260 CE LYS A 81 33.123 15.567 -16.667 1.00 10.41 C ATOM 1261 NZ LYS A 81 34.022 15.822 -17.814 1.00 44.24 N ATOM 0 H LYS A 81 29.313 13.170 -16.683 1.00 11.34 H new ATOM 0 HA LYS A 81 29.830 13.052 -14.480 1.00 73.32 H new ATOM 0 HB2 LYS A 81 31.405 15.578 -14.982 1.00 20.14 H new ATOM 0 HB3 LYS A 81 31.459 14.613 -13.520 1.00 20.14 H new ATOM 0 HG2 LYS A 81 33.233 13.632 -14.635 1.00 44.35 H new ATOM 0 HG3 LYS A 81 31.946 12.624 -15.268 1.00 44.35 H new ATOM 0 HD2 LYS A 81 33.446 13.474 -17.078 1.00 13.33 H new ATOM 0 HD3 LYS A 81 31.787 13.996 -17.301 1.00 13.33 H new ATOM 0 HE2 LYS A 81 32.257 16.227 -16.722 1.00 10.41 H new ATOM 0 HE3 LYS A 81 33.639 15.796 -15.735 1.00 10.41 H new ATOM 0 HZ1 LYS A 81 34.325 16.817 -17.803 1.00 44.24 H new ATOM 0 HZ2 LYS A 81 34.856 15.205 -17.745 1.00 44.24 H new ATOM 0 HZ3 LYS A 81 33.517 15.624 -18.701 1.00 44.24 H new ATOM 1274 N ARG A 82 27.567 14.750 -14.657 1.00 20.35 N ATOM 1275 CA ARG A 82 26.439 15.454 -14.071 1.00 3.33 C ATOM 1276 C ARG A 82 25.272 14.492 -13.845 1.00 34.04 C ATOM 1277 O ARG A 82 25.443 13.276 -13.913 1.00 33.21 O ATOM 1278 CB ARG A 82 25.978 16.602 -14.972 1.00 25.32 C ATOM 1279 CG ARG A 82 26.980 16.847 -16.103 1.00 34.24 C ATOM 1280 CD ARG A 82 26.395 17.787 -17.159 1.00 35.42 C ATOM 1281 NE ARG A 82 27.420 18.762 -17.593 1.00 20.55 N ATOM 1282 CZ ARG A 82 27.663 19.933 -16.967 1.00 61.01 C ATOM 1283 NH1 ARG A 82 26.955 20.286 -15.873 1.00 71.52 N ATOM 1284 NH2 ARG A 82 28.604 20.729 -17.441 1.00 74.44 N ATOM 0 H ARG A 82 27.337 14.177 -15.469 1.00 20.35 H new ATOM 0 HA ARG A 82 26.765 15.865 -13.116 1.00 3.33 H new ATOM 0 HB2 ARG A 82 25.000 16.369 -15.392 1.00 25.32 H new ATOM 0 HB3 ARG A 82 25.863 17.510 -14.380 1.00 25.32 H new ATOM 0 HG2 ARG A 82 27.896 17.276 -15.696 1.00 34.24 H new ATOM 0 HG3 ARG A 82 27.251 15.898 -16.566 1.00 34.24 H new ATOM 0 HD2 ARG A 82 26.043 17.211 -18.015 1.00 35.42 H new ATOM 0 HD3 ARG A 82 25.531 18.312 -16.752 1.00 35.42 H new ATOM 0 HE ARG A 82 27.978 18.535 -18.416 1.00 20.55 H new ATOM 0 HH11 ARG A 82 26.230 19.666 -15.513 1.00 71.52 H new ATOM 0 HH12 ARG A 82 27.146 21.173 -15.406 1.00 71.52 H new ATOM 0 HH21 ARG A 82 29.134 20.455 -18.268 1.00 74.44 H new ATOM 0 HH22 ARG A 82 28.800 21.617 -16.980 1.00 74.44 H new ATOM 1297 N VAL A 83 24.111 15.073 -13.580 1.00 35.22 N ATOM 1298 CA VAL A 83 22.915 14.282 -13.343 1.00 72.22 C ATOM 1299 C VAL A 83 21.875 14.604 -14.418 1.00 15.02 C ATOM 1300 O VAL A 83 22.014 15.584 -15.148 1.00 1.11 O ATOM 1301 CB VAL A 83 22.401 14.523 -11.922 1.00 72.43 C ATOM 1302 CG1 VAL A 83 21.151 13.686 -11.643 1.00 14.35 C ATOM 1303 CG2 VAL A 83 23.493 14.239 -10.889 1.00 11.11 C ATOM 0 H VAL A 83 23.973 16.082 -13.524 1.00 35.22 H new ATOM 0 HA VAL A 83 23.140 13.218 -13.416 1.00 72.22 H new ATOM 0 HB VAL A 83 22.126 15.574 -11.838 1.00 72.43 H new ATOM 0 HG11 VAL A 83 20.806 13.875 -10.627 1.00 14.35 H new ATOM 0 HG12 VAL A 83 20.366 13.957 -12.349 1.00 14.35 H new ATOM 0 HG13 VAL A 83 21.389 12.628 -11.754 1.00 14.35 H new ATOM 0 HG21 VAL A 83 23.102 14.418 -9.887 1.00 11.11 H new ATOM 0 HG22 VAL A 83 23.813 13.200 -10.974 1.00 11.11 H new ATOM 0 HG23 VAL A 83 24.344 14.896 -11.069 1.00 11.11 H new ATOM 1313 N PHE A 84 20.855 13.761 -14.481 1.00 32.53 N ATOM 1314 CA PHE A 84 19.791 13.943 -15.454 1.00 3.21 C ATOM 1315 C PHE A 84 18.450 13.461 -14.898 1.00 22.43 C ATOM 1316 O PHE A 84 18.409 12.562 -14.059 1.00 3.13 O ATOM 1317 CB PHE A 84 20.155 13.100 -16.678 1.00 5.43 C ATOM 1318 CG PHE A 84 21.013 13.838 -17.708 1.00 72.24 C ATOM 1319 CD1 PHE A 84 22.365 13.876 -17.566 1.00 73.11 C ATOM 1320 CD2 PHE A 84 20.423 14.455 -18.767 1.00 13.10 C ATOM 1321 CE1 PHE A 84 23.160 14.560 -18.523 1.00 4.22 C ATOM 1322 CE2 PHE A 84 21.218 15.139 -19.724 1.00 3.45 C ATOM 1323 CZ PHE A 84 22.570 15.178 -19.581 1.00 63.43 C ATOM 0 H PHE A 84 20.743 12.949 -13.874 1.00 32.53 H new ATOM 0 HA PHE A 84 19.691 15.000 -15.702 1.00 3.21 H new ATOM 0 HB2 PHE A 84 20.688 12.209 -16.347 1.00 5.43 H new ATOM 0 HB3 PHE A 84 19.238 12.762 -17.160 1.00 5.43 H new ATOM 0 HD1 PHE A 84 22.834 13.386 -16.725 1.00 73.11 H new ATOM 0 HD2 PHE A 84 19.349 14.425 -18.880 1.00 13.10 H new ATOM 0 HE1 PHE A 84 24.234 14.590 -18.411 1.00 4.22 H new ATOM 0 HE2 PHE A 84 20.749 15.628 -20.565 1.00 3.45 H new ATOM 0 HZ PHE A 84 23.175 15.700 -20.308 1.00 63.43 H new ATOM 1333 N LEU A 85 17.386 14.079 -15.388 1.00 33.23 N ATOM 1334 CA LEU A 85 16.046 13.723 -14.950 1.00 44.52 C ATOM 1335 C LEU A 85 15.201 13.344 -16.167 1.00 72.14 C ATOM 1336 O LEU A 85 14.795 14.210 -16.940 1.00 53.42 O ATOM 1337 CB LEU A 85 15.442 14.849 -14.108 1.00 32.30 C ATOM 1338 CG LEU A 85 13.988 14.653 -13.672 1.00 3.13 C ATOM 1339 CD1 LEU A 85 13.637 13.167 -13.586 1.00 71.43 C ATOM 1340 CD2 LEU A 85 13.707 15.385 -12.358 1.00 21.01 C ATOM 0 H LEU A 85 17.424 14.824 -16.084 1.00 33.23 H new ATOM 0 HA LEU A 85 16.077 12.850 -14.298 1.00 44.52 H new ATOM 0 HB2 LEU A 85 16.054 14.977 -13.215 1.00 32.30 H new ATOM 0 HB3 LEU A 85 15.509 15.777 -14.676 1.00 32.30 H new ATOM 0 HG LEU A 85 13.341 15.093 -14.431 1.00 3.13 H new ATOM 0 HD11 LEU A 85 12.598 13.056 -13.274 1.00 71.43 H new ATOM 0 HD12 LEU A 85 13.774 12.704 -14.563 1.00 71.43 H new ATOM 0 HD13 LEU A 85 14.288 12.681 -12.859 1.00 71.43 H new ATOM 0 HD21 LEU A 85 12.667 15.230 -12.070 1.00 21.01 H new ATOM 0 HD22 LEU A 85 14.361 14.996 -11.578 1.00 21.01 H new ATOM 0 HD23 LEU A 85 13.892 16.451 -12.489 1.00 21.01 H new ATOM 1352 N ILE A 86 14.960 12.048 -16.300 1.00 65.30 N ATOM 1353 CA ILE A 86 14.171 11.543 -17.410 1.00 75.22 C ATOM 1354 C ILE A 86 12.698 11.484 -16.998 1.00 3.41 C ATOM 1355 O ILE A 86 12.311 10.651 -16.180 1.00 65.34 O ATOM 1356 CB ILE A 86 14.726 10.203 -17.898 1.00 2.24 C ATOM 1357 CG1 ILE A 86 16.206 10.060 -17.538 1.00 5.13 C ATOM 1358 CG2 ILE A 86 14.481 10.021 -19.397 1.00 35.53 C ATOM 1359 CD1 ILE A 86 16.901 9.057 -18.461 1.00 34.31 C ATOM 0 H ILE A 86 15.298 11.332 -15.657 1.00 65.30 H new ATOM 0 HA ILE A 86 14.238 12.219 -18.262 1.00 75.22 H new ATOM 0 HB ILE A 86 14.190 9.404 -17.385 1.00 2.24 H new ATOM 0 HG12 ILE A 86 16.698 11.030 -17.613 1.00 5.13 H new ATOM 0 HG13 ILE A 86 16.302 9.734 -16.502 1.00 5.13 H new ATOM 0 HG21 ILE A 86 14.885 9.061 -19.718 1.00 35.53 H new ATOM 0 HG22 ILE A 86 13.410 10.049 -19.597 1.00 35.53 H new ATOM 0 HG23 ILE A 86 14.973 10.824 -19.946 1.00 35.53 H new ATOM 0 HD11 ILE A 86 17.952 8.974 -18.183 1.00 34.31 H new ATOM 0 HD12 ILE A 86 16.423 8.082 -18.365 1.00 34.31 H new ATOM 0 HD13 ILE A 86 16.824 9.399 -19.493 1.00 34.31 H new ATOM 1371 N ASP A 87 11.917 12.381 -17.583 1.00 21.34 N ATOM 1372 CA ASP A 87 10.496 12.442 -17.286 1.00 71.32 C ATOM 1373 C ASP A 87 9.803 11.212 -17.877 1.00 0.02 C ATOM 1374 O ASP A 87 9.303 11.256 -19.000 1.00 14.45 O ATOM 1375 CB ASP A 87 9.857 13.687 -17.905 1.00 23.23 C ATOM 1376 CG ASP A 87 8.355 13.834 -17.656 1.00 11.31 C ATOM 1377 OD1 ASP A 87 7.527 13.321 -18.423 1.00 40.44 O ATOM 1378 OD2 ASP A 87 8.040 14.519 -16.609 1.00 23.02 O ATOM 0 H ASP A 87 12.241 13.071 -18.261 1.00 21.34 H new ATOM 0 HA ASP A 87 10.379 12.477 -16.203 1.00 71.32 H new ATOM 0 HB2 ASP A 87 10.363 14.570 -17.514 1.00 23.23 H new ATOM 0 HB3 ASP A 87 10.032 13.670 -18.981 1.00 23.23 H new ATOM 1384 N LEU A 88 9.796 10.143 -17.094 1.00 0.32 N ATOM 1385 CA LEU A 88 9.173 8.904 -17.525 1.00 72.41 C ATOM 1386 C LEU A 88 7.676 9.138 -17.739 1.00 61.15 C ATOM 1387 O LEU A 88 6.863 8.813 -16.876 1.00 22.44 O ATOM 1388 CB LEU A 88 9.484 7.776 -16.539 1.00 13.13 C ATOM 1389 CG LEU A 88 10.966 7.466 -16.320 1.00 71.11 C ATOM 1390 CD1 LEU A 88 11.148 6.104 -15.646 1.00 55.43 C ATOM 1391 CD2 LEU A 88 11.746 7.565 -17.632 1.00 62.44 C ATOM 0 H LEU A 88 10.212 10.110 -16.163 1.00 0.32 H new ATOM 0 HA LEU A 88 9.586 8.583 -18.481 1.00 72.41 H new ATOM 0 HB2 LEU A 88 9.040 8.029 -15.576 1.00 13.13 H new ATOM 0 HB3 LEU A 88 8.991 6.869 -16.888 1.00 13.13 H new ATOM 0 HG LEU A 88 11.376 8.217 -15.644 1.00 71.11 H new ATOM 0 HD11 LEU A 88 12.211 5.908 -15.502 1.00 55.43 H new ATOM 0 HD12 LEU A 88 10.645 6.107 -14.679 1.00 55.43 H new ATOM 0 HD13 LEU A 88 10.718 5.326 -16.276 1.00 55.43 H new ATOM 0 HD21 LEU A 88 12.797 7.340 -17.449 1.00 62.44 H new ATOM 0 HD22 LEU A 88 11.342 6.851 -18.350 1.00 62.44 H new ATOM 0 HD23 LEU A 88 11.656 8.574 -18.034 1.00 62.44 H new ATOM 1403 N ASN A 89 7.357 9.701 -18.896 1.00 24.41 N ATOM 1404 CA ASN A 89 5.973 9.982 -19.235 1.00 12.23 C ATOM 1405 C ASN A 89 5.196 10.306 -17.957 1.00 55.44 C ATOM 1406 O ASN A 89 4.165 9.694 -17.681 1.00 41.02 O ATOM 1407 CB ASN A 89 5.311 8.772 -19.897 1.00 13.32 C ATOM 1408 CG ASN A 89 5.964 7.468 -19.434 1.00 13.41 C ATOM 1409 OD1 ASN A 89 5.396 6.692 -18.684 1.00 33.42 O ATOM 1410 ND2 ASN A 89 7.186 7.272 -19.921 1.00 55.52 N ATOM 0 H ASN A 89 8.034 9.970 -19.610 1.00 24.41 H new ATOM 0 HA ASN A 89 5.959 10.824 -19.928 1.00 12.23 H new ATOM 0 HB2 ASN A 89 4.248 8.757 -19.655 1.00 13.32 H new ATOM 0 HB3 ASN A 89 5.390 8.858 -20.981 1.00 13.32 H new ATOM 0 HD21 ASN A 89 7.706 6.431 -19.671 1.00 55.52 H new ATOM 0 HD22 ASN A 89 7.603 7.963 -20.545 1.00 55.52 H new ATOM 1417 N SER A 90 5.719 11.269 -17.212 1.00 61.23 N ATOM 1418 CA SER A 90 5.087 11.682 -15.971 1.00 22.33 C ATOM 1419 C SER A 90 3.644 12.115 -16.237 1.00 21.11 C ATOM 1420 O SER A 90 3.358 12.742 -17.256 1.00 3.34 O ATOM 1421 CB SER A 90 5.868 12.817 -15.306 1.00 42.13 C ATOM 1422 OG SER A 90 5.078 13.523 -14.353 1.00 73.44 O ATOM 0 H SER A 90 6.574 11.775 -17.444 1.00 61.23 H new ATOM 0 HA SER A 90 5.084 10.831 -15.289 1.00 22.33 H new ATOM 0 HB2 SER A 90 6.751 12.409 -14.814 1.00 42.13 H new ATOM 0 HB3 SER A 90 6.220 13.510 -16.070 1.00 42.13 H new ATOM 0 HG SER A 90 5.367 14.459 -14.317 1.00 73.44 H new ATOM 1428 N THR A 91 2.773 11.763 -15.303 1.00 74.11 N ATOM 1429 CA THR A 91 1.366 12.107 -15.424 1.00 2.41 C ATOM 1430 C THR A 91 1.209 13.492 -16.056 1.00 73.43 C ATOM 1431 O THR A 91 0.406 13.673 -16.970 1.00 72.24 O ATOM 1432 CB THR A 91 0.732 11.998 -14.036 1.00 74.52 C ATOM 1433 OG1 THR A 91 -0.234 13.045 -14.012 1.00 50.10 O ATOM 1434 CG2 THR A 91 1.707 12.364 -12.916 1.00 31.14 C ATOM 0 H THR A 91 3.014 11.243 -14.459 1.00 74.11 H new ATOM 0 HA THR A 91 0.846 11.419 -16.090 1.00 2.41 H new ATOM 0 HB THR A 91 0.369 10.982 -13.882 1.00 74.52 H new ATOM 0 HG1 THR A 91 -0.694 13.046 -13.147 1.00 50.10 H new ATOM 0 HG21 THR A 91 1.206 12.270 -11.952 1.00 31.14 H new ATOM 0 HG22 THR A 91 2.565 11.692 -12.946 1.00 31.14 H new ATOM 0 HG23 THR A 91 2.046 13.391 -13.050 1.00 31.14 H new ATOM 1442 N HIS A 92 1.988 14.433 -15.544 1.00 71.13 N ATOM 1443 CA HIS A 92 1.945 15.795 -16.047 1.00 41.44 C ATOM 1444 C HIS A 92 3.226 16.095 -16.828 1.00 63.33 C ATOM 1445 O HIS A 92 3.200 16.202 -18.053 1.00 63.04 O ATOM 1446 CB HIS A 92 1.699 16.787 -14.909 1.00 2.51 C ATOM 1447 CG HIS A 92 1.067 16.172 -13.683 1.00 62.54 C ATOM 1448 ND1 HIS A 92 -0.247 16.408 -13.319 1.00 22.43 N ATOM 1449 CD2 HIS A 92 1.582 15.326 -12.745 1.00 14.44 C ATOM 1450 CE1 HIS A 92 -0.501 15.731 -12.208 1.00 63.24 C ATOM 1451 NE2 HIS A 92 0.634 15.062 -11.854 1.00 31.21 N ATOM 0 H HIS A 92 2.653 14.279 -14.786 1.00 71.13 H new ATOM 0 HA HIS A 92 1.107 15.905 -16.735 1.00 41.44 H new ATOM 0 HB2 HIS A 92 2.648 17.242 -14.626 1.00 2.51 H new ATOM 0 HB3 HIS A 92 1.057 17.589 -15.273 1.00 2.51 H new ATOM 0 HD1 HIS A 92 -0.908 17.002 -13.820 1.00 22.43 H new ATOM 0 HD2 HIS A 92 2.589 14.937 -12.730 1.00 14.44 H new ATOM 0 HE1 HIS A 92 -1.441 15.712 -11.677 1.00 63.24 H new ATOM 1459 N GLY A 93 4.317 16.221 -16.087 1.00 21.11 N ATOM 1460 CA GLY A 93 5.606 16.506 -16.694 1.00 60.43 C ATOM 1461 C GLY A 93 6.624 16.944 -15.640 1.00 3.02 C ATOM 1462 O GLY A 93 6.261 17.220 -14.498 1.00 14.33 O ATOM 0 H GLY A 93 4.335 16.131 -15.071 1.00 21.11 H new ATOM 0 HA2 GLY A 93 5.972 15.619 -17.212 1.00 60.43 H new ATOM 0 HA3 GLY A 93 5.494 17.289 -17.444 1.00 60.43 H new ATOM 1466 N THR A 94 7.880 16.994 -16.060 1.00 54.04 N ATOM 1467 CA THR A 94 8.953 17.394 -15.166 1.00 40.15 C ATOM 1468 C THR A 94 9.639 18.657 -15.689 1.00 45.53 C ATOM 1469 O THR A 94 9.685 18.889 -16.896 1.00 43.15 O ATOM 1470 CB THR A 94 9.905 16.206 -15.009 1.00 14.40 C ATOM 1471 OG1 THR A 94 9.067 15.148 -14.552 1.00 14.52 O ATOM 1472 CG2 THR A 94 10.907 16.406 -13.871 1.00 1.25 C ATOM 0 H THR A 94 8.178 16.764 -17.008 1.00 54.04 H new ATOM 0 HA THR A 94 8.570 17.655 -14.179 1.00 40.15 H new ATOM 0 HB THR A 94 10.444 16.046 -15.943 1.00 14.40 H new ATOM 0 HG1 THR A 94 8.881 14.535 -15.293 1.00 14.52 H new ATOM 0 HG21 THR A 94 11.558 15.535 -13.803 1.00 1.25 H new ATOM 0 HG22 THR A 94 11.508 17.294 -14.067 1.00 1.25 H new ATOM 0 HG23 THR A 94 10.370 16.532 -12.931 1.00 1.25 H new ATOM 1480 N PHE A 95 10.156 19.442 -14.755 1.00 21.44 N ATOM 1481 CA PHE A 95 10.838 20.676 -15.106 1.00 20.40 C ATOM 1482 C PHE A 95 12.165 20.802 -14.355 1.00 31.04 C ATOM 1483 O PHE A 95 12.414 20.068 -13.400 1.00 20.51 O ATOM 1484 CB PHE A 95 9.920 21.827 -14.693 1.00 12.45 C ATOM 1485 CG PHE A 95 8.959 22.283 -15.793 1.00 32.33 C ATOM 1486 CD1 PHE A 95 8.045 21.413 -16.301 1.00 23.34 C ATOM 1487 CD2 PHE A 95 9.018 23.558 -16.263 1.00 22.34 C ATOM 1488 CE1 PHE A 95 7.153 21.835 -17.322 1.00 4.34 C ATOM 1489 CE2 PHE A 95 8.126 23.980 -17.284 1.00 4.25 C ATOM 1490 CZ PHE A 95 7.213 23.110 -17.791 1.00 52.25 C ATOM 0 H PHE A 95 10.116 19.247 -13.755 1.00 21.44 H new ATOM 0 HA PHE A 95 11.054 20.691 -16.174 1.00 20.40 H new ATOM 0 HB2 PHE A 95 9.340 21.521 -13.822 1.00 12.45 H new ATOM 0 HB3 PHE A 95 10.533 22.675 -14.386 1.00 12.45 H new ATOM 0 HD1 PHE A 95 7.998 20.401 -15.928 1.00 23.34 H new ATOM 0 HD2 PHE A 95 9.743 24.249 -15.860 1.00 22.34 H new ATOM 0 HE1 PHE A 95 6.428 21.144 -17.726 1.00 4.34 H new ATOM 0 HE2 PHE A 95 8.173 24.992 -17.658 1.00 4.25 H new ATOM 0 HZ PHE A 95 6.534 23.432 -18.567 1.00 52.25 H new ATOM 1500 N LEU A 96 12.981 21.739 -14.814 1.00 24.21 N ATOM 1501 CA LEU A 96 14.276 21.971 -14.197 1.00 65.21 C ATOM 1502 C LEU A 96 14.329 23.400 -13.654 1.00 43.34 C ATOM 1503 O LEU A 96 15.207 24.178 -14.027 1.00 71.50 O ATOM 1504 CB LEU A 96 15.404 21.643 -15.179 1.00 13.55 C ATOM 1505 CG LEU A 96 16.825 21.919 -14.684 1.00 0.24 C ATOM 1506 CD1 LEU A 96 17.043 21.334 -13.287 1.00 74.52 C ATOM 1507 CD2 LEU A 96 17.863 21.411 -15.686 1.00 51.24 C ATOM 0 H LEU A 96 12.771 22.347 -15.606 1.00 24.21 H new ATOM 0 HA LEU A 96 14.419 21.302 -13.348 1.00 65.21 H new ATOM 0 HB2 LEU A 96 15.332 20.589 -15.446 1.00 13.55 H new ATOM 0 HB3 LEU A 96 15.241 22.215 -16.093 1.00 13.55 H new ATOM 0 HG LEU A 96 16.955 22.998 -14.605 1.00 0.24 H new ATOM 0 HD11 LEU A 96 18.061 21.544 -12.959 1.00 74.52 H new ATOM 0 HD12 LEU A 96 16.337 21.785 -12.590 1.00 74.52 H new ATOM 0 HD13 LEU A 96 16.887 20.256 -13.316 1.00 74.52 H new ATOM 0 HD21 LEU A 96 18.864 21.620 -15.310 1.00 51.24 H new ATOM 0 HD22 LEU A 96 17.743 20.336 -15.821 1.00 51.24 H new ATOM 0 HD23 LEU A 96 17.722 21.915 -16.642 1.00 51.24 H new ATOM 1519 N GLY A 97 13.379 23.704 -12.783 1.00 32.22 N ATOM 1520 CA GLY A 97 13.306 25.026 -12.185 1.00 51.31 C ATOM 1521 C GLY A 97 12.365 25.935 -12.978 1.00 50.42 C ATOM 1522 O GLY A 97 11.325 26.352 -12.471 1.00 10.43 O ATOM 0 H GLY A 97 12.652 23.057 -12.477 1.00 32.22 H new ATOM 0 HA2 GLY A 97 12.957 24.945 -11.156 1.00 51.31 H new ATOM 0 HA3 GLY A 97 14.301 25.469 -12.150 1.00 51.31 H new ATOM 1526 N HIS A 98 12.764 26.216 -14.210 1.00 50.00 N ATOM 1527 CA HIS A 98 11.969 27.068 -15.078 1.00 43.13 C ATOM 1528 C HIS A 98 12.003 26.520 -16.506 1.00 62.22 C ATOM 1529 O HIS A 98 11.643 27.219 -17.452 1.00 73.42 O ATOM 1530 CB HIS A 98 12.438 28.522 -14.990 1.00 22.30 C ATOM 1531 CG HIS A 98 13.467 28.899 -16.029 1.00 52.41 C ATOM 1532 ND1 HIS A 98 14.819 28.986 -15.748 1.00 42.53 N ATOM 1533 CD2 HIS A 98 13.327 29.210 -17.350 1.00 11.42 C ATOM 1534 CE1 HIS A 98 15.455 29.336 -16.857 1.00 31.11 C ATOM 1535 NE2 HIS A 98 14.528 29.475 -17.848 1.00 63.32 N ATOM 0 H HIS A 98 13.627 25.869 -14.628 1.00 50.00 H new ATOM 0 HA HIS A 98 10.930 27.061 -14.748 1.00 43.13 H new ATOM 0 HB2 HIS A 98 11.574 29.179 -15.094 1.00 22.30 H new ATOM 0 HB3 HIS A 98 12.856 28.699 -13.999 1.00 22.30 H new ATOM 0 HD2 HIS A 98 12.396 29.236 -17.898 1.00 11.42 H new ATOM 0 HE1 HIS A 98 16.520 29.485 -16.958 1.00 31.11 H new ATOM 0 HE2 HIS A 98 14.726 29.739 -18.813 1.00 63.32 H new ATOM 1543 N ILE A 99 12.440 25.274 -16.617 1.00 73.22 N ATOM 1544 CA ILE A 99 12.526 24.624 -17.914 1.00 35.52 C ATOM 1545 C ILE A 99 11.656 23.365 -17.907 1.00 33.23 C ATOM 1546 O ILE A 99 11.470 22.740 -16.864 1.00 2.15 O ATOM 1547 CB ILE A 99 13.986 24.360 -18.285 1.00 61.33 C ATOM 1548 CG1 ILE A 99 14.843 25.608 -18.062 1.00 33.30 C ATOM 1549 CG2 ILE A 99 14.101 23.834 -19.718 1.00 2.24 C ATOM 1550 CD1 ILE A 99 16.324 25.306 -18.299 1.00 32.34 C ATOM 0 H ILE A 99 12.738 24.697 -15.830 1.00 73.22 H new ATOM 0 HA ILE A 99 12.136 25.278 -18.694 1.00 35.52 H new ATOM 0 HB ILE A 99 14.371 23.583 -17.625 1.00 61.33 H new ATOM 0 HG12 ILE A 99 14.518 26.402 -18.735 1.00 33.30 H new ATOM 0 HG13 ILE A 99 14.701 25.974 -17.045 1.00 33.30 H new ATOM 0 HG21 ILE A 99 15.149 23.654 -19.957 1.00 2.24 H new ATOM 0 HG22 ILE A 99 13.543 22.902 -19.809 1.00 2.24 H new ATOM 0 HG23 ILE A 99 13.692 24.571 -20.410 1.00 2.24 H new ATOM 0 HD11 ILE A 99 16.911 26.210 -18.134 1.00 32.34 H new ATOM 0 HD12 ILE A 99 16.652 24.529 -17.608 1.00 32.34 H new ATOM 0 HD13 ILE A 99 16.466 24.964 -19.324 1.00 32.34 H new ATOM 1562 N ARG A 100 11.146 23.030 -19.083 1.00 14.13 N ATOM 1563 CA ARG A 100 10.300 21.857 -19.225 1.00 52.22 C ATOM 1564 C ARG A 100 11.078 20.719 -19.887 1.00 65.51 C ATOM 1565 O ARG A 100 11.870 20.951 -20.799 1.00 43.40 O ATOM 1566 CB ARG A 100 9.059 22.172 -20.063 1.00 32.41 C ATOM 1567 CG ARG A 100 9.389 22.163 -21.557 1.00 20.31 C ATOM 1568 CD ARG A 100 9.089 20.796 -22.176 1.00 45.15 C ATOM 1569 NE ARG A 100 7.712 20.377 -21.836 1.00 14.03 N ATOM 1570 CZ ARG A 100 6.602 20.882 -22.415 1.00 72.12 C ATOM 1571 NH1 ARG A 100 6.699 21.831 -23.371 1.00 31.51 N ATOM 1572 NH2 ARG A 100 5.420 20.434 -22.033 1.00 42.24 N ATOM 0 H ARG A 100 11.302 23.550 -19.946 1.00 14.13 H new ATOM 0 HA ARG A 100 9.984 21.553 -18.227 1.00 52.22 H new ATOM 0 HB2 ARG A 100 8.280 21.439 -19.855 1.00 32.41 H new ATOM 0 HB3 ARG A 100 8.663 23.147 -19.780 1.00 32.41 H new ATOM 0 HG2 ARG A 100 8.808 22.932 -22.066 1.00 20.31 H new ATOM 0 HG3 ARG A 100 10.441 22.409 -21.702 1.00 20.31 H new ATOM 0 HD2 ARG A 100 9.206 20.844 -23.259 1.00 45.15 H new ATOM 0 HD3 ARG A 100 9.803 20.058 -21.811 1.00 45.15 H new ATOM 0 HE ARG A 100 7.594 19.661 -21.119 1.00 14.03 H new ATOM 0 HH11 ARG A 100 7.616 22.171 -23.661 1.00 31.51 H new ATOM 0 HH12 ARG A 100 5.855 22.207 -23.803 1.00 31.51 H new ATOM 0 HH21 ARG A 100 5.356 19.717 -21.310 1.00 42.24 H new ATOM 0 HH22 ARG A 100 4.571 20.805 -22.460 1.00 42.24 H new ATOM 1585 N LEU A 101 10.826 19.512 -19.402 1.00 62.31 N ATOM 1586 CA LEU A 101 11.494 18.336 -19.935 1.00 53.32 C ATOM 1587 C LEU A 101 10.467 17.448 -20.641 1.00 11.13 C ATOM 1588 O LEU A 101 9.307 17.392 -20.236 1.00 12.04 O ATOM 1589 CB LEU A 101 12.275 17.618 -18.833 1.00 73.42 C ATOM 1590 CG LEU A 101 12.720 18.484 -17.653 1.00 65.52 C ATOM 1591 CD1 LEU A 101 13.341 17.627 -16.548 1.00 62.31 C ATOM 1592 CD2 LEU A 101 13.665 19.595 -18.115 1.00 14.41 C ATOM 0 H LEU A 101 10.168 19.323 -18.646 1.00 62.31 H new ATOM 0 HA LEU A 101 12.234 18.623 -20.682 1.00 53.32 H new ATOM 0 HB2 LEU A 101 11.659 16.805 -18.449 1.00 73.42 H new ATOM 0 HB3 LEU A 101 13.160 17.164 -19.279 1.00 73.42 H new ATOM 0 HG LEU A 101 11.838 18.965 -17.230 1.00 65.52 H new ATOM 0 HD11 LEU A 101 13.649 18.267 -15.721 1.00 62.31 H new ATOM 0 HD12 LEU A 101 12.607 16.903 -16.193 1.00 62.31 H new ATOM 0 HD13 LEU A 101 14.210 17.100 -16.942 1.00 62.31 H new ATOM 0 HD21 LEU A 101 13.967 20.196 -17.257 1.00 14.41 H new ATOM 0 HD22 LEU A 101 14.548 19.153 -18.577 1.00 14.41 H new ATOM 0 HD23 LEU A 101 13.155 20.228 -18.841 1.00 14.41 H new ATOM 1604 N GLU A 102 10.931 16.776 -21.684 1.00 32.11 N ATOM 1605 CA GLU A 102 10.067 15.893 -22.450 1.00 2.05 C ATOM 1606 C GLU A 102 9.848 14.580 -21.696 1.00 22.24 C ATOM 1607 O GLU A 102 10.715 14.141 -20.942 1.00 21.24 O ATOM 1608 CB GLU A 102 10.643 15.636 -23.843 1.00 65.52 C ATOM 1609 CG GLU A 102 11.157 16.932 -24.472 1.00 41.23 C ATOM 1610 CD GLU A 102 11.027 16.891 -25.996 1.00 44.13 C ATOM 1611 OE1 GLU A 102 10.218 16.117 -26.529 1.00 23.11 O ATOM 1612 OE2 GLU A 102 11.804 17.702 -26.632 1.00 31.13 O ATOM 0 H GLU A 102 11.894 16.825 -22.017 1.00 32.11 H new ATOM 0 HA GLU A 102 9.101 16.382 -22.577 1.00 2.05 H new ATOM 0 HB2 GLU A 102 11.456 14.913 -23.776 1.00 65.52 H new ATOM 0 HB3 GLU A 102 9.877 15.197 -24.482 1.00 65.52 H new ATOM 0 HG2 GLU A 102 10.595 17.779 -24.078 1.00 41.23 H new ATOM 0 HG3 GLU A 102 12.200 17.085 -24.196 1.00 41.23 H new ATOM 1620 N PRO A 103 8.654 13.974 -21.932 1.00 33.15 N ATOM 1621 CA PRO A 103 8.310 12.720 -21.283 1.00 72.35 C ATOM 1622 C PRO A 103 9.067 11.550 -21.915 1.00 42.14 C ATOM 1623 O PRO A 103 8.456 10.599 -22.400 1.00 13.20 O ATOM 1624 CB PRO A 103 6.802 12.601 -21.432 1.00 72.41 C ATOM 1625 CG PRO A 103 6.417 13.551 -22.555 1.00 23.24 C ATOM 1626 CD PRO A 103 7.603 14.465 -22.818 1.00 72.22 C ATOM 0 HA PRO A 103 8.596 12.698 -20.231 1.00 72.35 H new ATOM 0 HB2 PRO A 103 6.513 11.577 -21.670 1.00 72.41 H new ATOM 0 HB3 PRO A 103 6.296 12.868 -20.504 1.00 72.41 H new ATOM 0 HG2 PRO A 103 6.158 12.993 -23.455 1.00 23.24 H new ATOM 0 HG3 PRO A 103 5.539 14.135 -22.278 1.00 23.24 H new ATOM 0 HD2 PRO A 103 7.913 14.421 -23.862 1.00 72.22 H new ATOM 0 HD3 PRO A 103 7.357 15.505 -22.602 1.00 72.22 H new ATOM 1634 N HIS A 104 10.387 11.659 -21.890 1.00 24.22 N ATOM 1635 CA HIS A 104 11.235 10.622 -22.454 1.00 72.10 C ATOM 1636 C HIS A 104 12.667 11.144 -22.583 1.00 62.23 C ATOM 1637 O HIS A 104 13.621 10.439 -22.255 1.00 15.30 O ATOM 1638 CB HIS A 104 10.665 10.118 -23.781 1.00 63.35 C ATOM 1639 CG HIS A 104 9.857 8.848 -23.660 1.00 70.11 C ATOM 1640 ND1 HIS A 104 10.359 7.691 -23.090 1.00 0.23 N ATOM 1641 CD2 HIS A 104 8.578 8.566 -24.040 1.00 72.14 C ATOM 1642 CE1 HIS A 104 9.416 6.761 -23.131 1.00 43.21 C ATOM 1643 NE2 HIS A 104 8.313 7.305 -23.721 1.00 44.11 N ATOM 0 H HIS A 104 10.891 12.450 -21.488 1.00 24.22 H new ATOM 0 HA HIS A 104 11.259 9.762 -21.785 1.00 72.10 H new ATOM 0 HB2 HIS A 104 10.036 10.896 -24.214 1.00 63.35 H new ATOM 0 HB3 HIS A 104 11.487 9.949 -24.477 1.00 63.35 H new ATOM 0 HD2 HIS A 104 7.896 9.253 -24.519 1.00 72.14 H new ATOM 0 HE1 HIS A 104 9.505 5.750 -22.762 1.00 43.21 H new ATOM 0 HE2 HIS A 104 7.430 6.822 -23.889 1.00 44.11 H new ATOM 1651 N LYS A 105 12.773 12.374 -23.062 1.00 45.45 N ATOM 1652 CA LYS A 105 14.073 12.999 -23.239 1.00 44.13 C ATOM 1653 C LYS A 105 14.604 13.456 -21.879 1.00 41.11 C ATOM 1654 O LYS A 105 13.923 14.179 -21.154 1.00 34.12 O ATOM 1655 CB LYS A 105 13.992 14.121 -24.276 1.00 41.13 C ATOM 1656 CG LYS A 105 13.176 13.684 -25.495 1.00 24.43 C ATOM 1657 CD LYS A 105 13.750 14.280 -26.782 1.00 25.44 C ATOM 1658 CE LYS A 105 14.322 15.677 -26.532 1.00 33.35 C ATOM 1659 NZ LYS A 105 14.123 16.538 -27.719 1.00 31.04 N ATOM 0 H LYS A 105 11.980 12.955 -23.333 1.00 45.45 H new ATOM 0 HA LYS A 105 14.790 12.280 -23.636 1.00 44.13 H new ATOM 0 HB2 LYS A 105 13.537 15.004 -23.827 1.00 41.13 H new ATOM 0 HB3 LYS A 105 14.997 14.405 -24.589 1.00 41.13 H new ATOM 0 HG2 LYS A 105 13.173 12.596 -25.564 1.00 24.43 H new ATOM 0 HG3 LYS A 105 12.139 13.999 -25.375 1.00 24.43 H new ATOM 0 HD2 LYS A 105 14.531 13.628 -27.172 1.00 25.44 H new ATOM 0 HD3 LYS A 105 12.970 14.333 -27.542 1.00 25.44 H new ATOM 0 HE2 LYS A 105 13.837 16.125 -25.665 1.00 33.35 H new ATOM 0 HE3 LYS A 105 15.385 15.605 -26.301 1.00 33.35 H new ATOM 0 HZ1 LYS A 105 14.949 17.158 -27.841 1.00 31.04 H new ATOM 0 HZ2 LYS A 105 14.009 15.943 -28.564 1.00 31.04 H new ATOM 0 HZ3 LYS A 105 13.271 17.119 -27.587 1.00 31.04 H new ATOM 1672 N PRO A 106 15.848 13.004 -21.566 1.00 10.20 N ATOM 1673 CA PRO A 106 16.478 13.359 -20.306 1.00 30.13 C ATOM 1674 C PRO A 106 16.972 14.807 -20.328 1.00 70.10 C ATOM 1675 O PRO A 106 17.166 15.384 -21.397 1.00 22.22 O ATOM 1676 CB PRO A 106 17.602 12.351 -20.130 1.00 34.41 C ATOM 1677 CG PRO A 106 17.855 11.764 -21.509 1.00 50.22 C ATOM 1678 CD PRO A 106 16.685 12.147 -22.400 1.00 74.44 C ATOM 0 HA PRO A 106 15.787 13.316 -19.464 1.00 30.13 H new ATOM 0 HB2 PRO A 106 18.499 12.831 -19.739 1.00 34.41 H new ATOM 0 HB3 PRO A 106 17.321 11.573 -19.420 1.00 34.41 H new ATOM 0 HG2 PRO A 106 18.789 12.146 -21.921 1.00 50.22 H new ATOM 0 HG3 PRO A 106 17.952 10.680 -21.451 1.00 50.22 H new ATOM 0 HD2 PRO A 106 17.023 12.672 -23.293 1.00 74.44 H new ATOM 0 HD3 PRO A 106 16.138 11.266 -22.736 1.00 74.44 H new ATOM 1686 N GLN A 107 17.161 15.352 -19.136 1.00 2.35 N ATOM 1687 CA GLN A 107 17.629 16.722 -19.005 1.00 20.23 C ATOM 1688 C GLN A 107 18.656 16.826 -17.875 1.00 52.32 C ATOM 1689 O GLN A 107 18.317 16.653 -16.706 1.00 20.15 O ATOM 1690 CB GLN A 107 16.460 17.681 -18.773 1.00 73.12 C ATOM 1691 CG GLN A 107 16.933 18.969 -18.097 1.00 51.31 C ATOM 1692 CD GLN A 107 18.064 19.623 -18.893 1.00 63.34 C ATOM 1693 OE1 GLN A 107 18.039 19.697 -20.111 1.00 32.20 O ATOM 1694 NE2 GLN A 107 19.055 20.091 -18.140 1.00 45.14 N ATOM 0 H GLN A 107 16.999 14.870 -18.252 1.00 2.35 H new ATOM 0 HA GLN A 107 18.113 17.011 -19.938 1.00 20.23 H new ATOM 0 HB2 GLN A 107 15.986 17.919 -19.725 1.00 73.12 H new ATOM 0 HB3 GLN A 107 15.705 17.197 -18.153 1.00 73.12 H new ATOM 0 HG2 GLN A 107 16.098 19.664 -18.006 1.00 51.31 H new ATOM 0 HG3 GLN A 107 17.275 18.749 -17.086 1.00 51.31 H new ATOM 0 HE21 GLN A 107 19.013 19.996 -17.125 1.00 45.14 H new ATOM 0 HE22 GLN A 107 19.857 20.545 -18.577 1.00 45.14 H new ATOM 1703 N GLN A 108 19.890 17.109 -18.265 1.00 1.51 N ATOM 1704 CA GLN A 108 20.968 17.239 -17.300 1.00 4.24 C ATOM 1705 C GLN A 108 20.495 18.028 -16.077 1.00 52.55 C ATOM 1706 O GLN A 108 19.457 18.687 -16.124 1.00 11.05 O ATOM 1707 CB GLN A 108 22.196 17.896 -17.934 1.00 62.51 C ATOM 1708 CG GLN A 108 22.428 19.295 -17.361 1.00 33.15 C ATOM 1709 CD GLN A 108 23.619 19.975 -18.039 1.00 14.32 C ATOM 1710 OE1 GLN A 108 23.765 19.966 -19.250 1.00 55.10 O ATOM 1711 NE2 GLN A 108 24.459 20.564 -17.193 1.00 10.42 N ATOM 0 H GLN A 108 20.167 17.252 -19.236 1.00 1.51 H new ATOM 0 HA GLN A 108 21.258 16.240 -16.974 1.00 4.24 H new ATOM 0 HB2 GLN A 108 23.076 17.277 -17.758 1.00 62.51 H new ATOM 0 HB3 GLN A 108 22.062 17.959 -19.014 1.00 62.51 H new ATOM 0 HG2 GLN A 108 21.532 19.901 -17.498 1.00 33.15 H new ATOM 0 HG3 GLN A 108 22.606 19.227 -16.288 1.00 33.15 H new ATOM 0 HE21 GLN A 108 24.277 20.534 -16.190 1.00 10.42 H new ATOM 0 HE22 GLN A 108 25.285 21.046 -17.547 1.00 10.42 H new ATOM 1720 N ILE A 109 21.278 17.936 -15.013 1.00 44.22 N ATOM 1721 CA ILE A 109 20.952 18.633 -13.781 1.00 0.52 C ATOM 1722 C ILE A 109 22.234 19.199 -13.165 1.00 34.40 C ATOM 1723 O ILE A 109 23.079 18.446 -12.683 1.00 41.42 O ATOM 1724 CB ILE A 109 20.169 17.718 -12.838 1.00 72.52 C ATOM 1725 CG1 ILE A 109 19.047 16.993 -13.585 1.00 20.32 C ATOM 1726 CG2 ILE A 109 19.644 18.495 -11.629 1.00 72.33 C ATOM 1727 CD1 ILE A 109 17.947 17.970 -14.005 1.00 21.25 C ATOM 0 H ILE A 109 22.138 17.389 -14.978 1.00 44.22 H new ATOM 0 HA ILE A 109 20.295 19.479 -13.985 1.00 0.52 H new ATOM 0 HB ILE A 109 20.849 16.956 -12.459 1.00 72.52 H new ATOM 0 HG12 ILE A 109 19.454 16.497 -14.466 1.00 20.32 H new ATOM 0 HG13 ILE A 109 18.624 16.216 -12.948 1.00 20.32 H new ATOM 0 HG21 ILE A 109 19.091 17.821 -10.975 1.00 72.33 H new ATOM 0 HG22 ILE A 109 20.482 18.925 -11.081 1.00 72.33 H new ATOM 0 HG23 ILE A 109 18.984 19.293 -11.968 1.00 72.33 H new ATOM 0 HD11 ILE A 109 17.162 17.429 -14.534 1.00 21.25 H new ATOM 0 HD12 ILE A 109 17.526 18.446 -13.120 1.00 21.25 H new ATOM 0 HD13 ILE A 109 18.368 18.732 -14.661 1.00 21.25 H new ATOM 1739 N PRO A 110 22.340 20.554 -13.202 1.00 33.03 N ATOM 1740 CA PRO A 110 23.504 21.229 -12.653 1.00 72.42 C ATOM 1741 C PRO A 110 23.462 21.239 -11.124 1.00 34.22 C ATOM 1742 O PRO A 110 22.409 21.017 -10.527 1.00 3.13 O ATOM 1743 CB PRO A 110 23.472 22.623 -13.258 1.00 34.14 C ATOM 1744 CG PRO A 110 22.049 22.830 -13.751 1.00 50.43 C ATOM 1745 CD PRO A 110 21.358 21.477 -13.764 1.00 60.44 C ATOM 0 HA PRO A 110 24.438 20.724 -12.899 1.00 72.42 H new ATOM 0 HB2 PRO A 110 23.743 23.376 -12.518 1.00 34.14 H new ATOM 0 HB3 PRO A 110 24.186 22.710 -14.077 1.00 34.14 H new ATOM 0 HG2 PRO A 110 21.517 23.524 -13.100 1.00 50.43 H new ATOM 0 HG3 PRO A 110 22.051 23.267 -14.750 1.00 50.43 H new ATOM 0 HD2 PRO A 110 20.444 21.493 -13.170 1.00 60.44 H new ATOM 0 HD3 PRO A 110 21.075 21.186 -14.776 1.00 60.44 H new ATOM 1753 N ILE A 111 24.619 21.499 -10.533 1.00 70.55 N ATOM 1754 CA ILE A 111 24.728 21.541 -9.085 1.00 74.31 C ATOM 1755 C ILE A 111 23.950 22.747 -8.555 1.00 30.24 C ATOM 1756 O ILE A 111 23.842 23.767 -9.233 1.00 10.43 O ATOM 1757 CB ILE A 111 26.196 21.519 -8.657 1.00 43.21 C ATOM 1758 CG1 ILE A 111 26.955 20.390 -9.358 1.00 1.15 C ATOM 1759 CG2 ILE A 111 26.323 21.436 -7.135 1.00 15.25 C ATOM 1760 CD1 ILE A 111 26.271 19.042 -9.122 1.00 63.24 C ATOM 0 H ILE A 111 25.490 21.683 -11.031 1.00 70.55 H new ATOM 0 HA ILE A 111 24.279 20.652 -8.643 1.00 74.31 H new ATOM 0 HB ILE A 111 26.656 22.457 -8.967 1.00 43.21 H new ATOM 0 HG12 ILE A 111 27.009 20.592 -10.428 1.00 1.15 H new ATOM 0 HG13 ILE A 111 27.980 20.352 -8.989 1.00 1.15 H new ATOM 0 HG21 ILE A 111 27.377 21.422 -6.858 1.00 15.25 H new ATOM 0 HG22 ILE A 111 25.840 22.302 -6.682 1.00 15.25 H new ATOM 0 HG23 ILE A 111 25.842 20.525 -6.779 1.00 15.25 H new ATOM 0 HD11 ILE A 111 26.830 18.256 -9.631 1.00 63.24 H new ATOM 0 HD12 ILE A 111 26.240 18.832 -8.053 1.00 63.24 H new ATOM 0 HD13 ILE A 111 25.255 19.076 -9.514 1.00 63.24 H new ATOM 1772 N ASP A 112 23.428 22.590 -7.347 1.00 23.51 N ATOM 1773 CA ASP A 112 22.664 23.653 -6.718 1.00 32.04 C ATOM 1774 C ASP A 112 21.524 24.074 -7.647 1.00 14.12 C ATOM 1775 O ASP A 112 20.964 25.159 -7.497 1.00 2.25 O ATOM 1776 CB ASP A 112 23.539 24.880 -6.457 1.00 1.41 C ATOM 1777 CG ASP A 112 24.840 24.599 -5.702 1.00 33.31 C ATOM 1778 OD1 ASP A 112 25.866 25.255 -5.932 1.00 24.24 O ATOM 1779 OD2 ASP A 112 24.771 23.647 -4.834 1.00 12.13 O ATOM 0 H ASP A 112 23.520 21.742 -6.787 1.00 23.51 H new ATOM 0 HA ASP A 112 22.279 23.276 -5.770 1.00 32.04 H new ATOM 0 HB2 ASP A 112 23.784 25.342 -7.413 1.00 1.41 H new ATOM 0 HB3 ASP A 112 22.958 25.608 -5.891 1.00 1.41 H new ATOM 1785 N SER A 113 21.213 23.194 -8.587 1.00 30.53 N ATOM 1786 CA SER A 113 20.150 23.460 -9.540 1.00 55.43 C ATOM 1787 C SER A 113 18.792 23.413 -8.837 1.00 12.45 C ATOM 1788 O SER A 113 18.726 23.361 -7.609 1.00 61.44 O ATOM 1789 CB SER A 113 20.183 22.459 -10.697 1.00 11.42 C ATOM 1790 OG SER A 113 19.043 22.583 -11.543 1.00 34.34 O ATOM 0 H SER A 113 21.679 22.295 -8.709 1.00 30.53 H new ATOM 0 HA SER A 113 20.304 24.457 -9.953 1.00 55.43 H new ATOM 0 HB2 SER A 113 21.088 22.613 -11.284 1.00 11.42 H new ATOM 0 HB3 SER A 113 20.230 21.446 -10.298 1.00 11.42 H new ATOM 0 HG SER A 113 19.282 23.100 -12.340 1.00 34.34 H new ATOM 1796 N THR A 114 17.742 23.434 -9.644 1.00 54.21 N ATOM 1797 CA THR A 114 16.389 23.395 -9.114 1.00 62.42 C ATOM 1798 C THR A 114 15.426 22.819 -10.154 1.00 53.31 C ATOM 1799 O THR A 114 15.392 23.278 -11.295 1.00 61.31 O ATOM 1800 CB THR A 114 16.019 24.807 -8.658 1.00 55.23 C ATOM 1801 OG1 THR A 114 17.001 25.124 -7.676 1.00 42.12 O ATOM 1802 CG2 THR A 114 14.697 24.846 -7.889 1.00 14.22 C ATOM 0 H THR A 114 17.800 23.478 -10.661 1.00 54.21 H new ATOM 0 HA THR A 114 16.320 22.732 -8.252 1.00 62.42 H new ATOM 0 HB THR A 114 15.954 25.463 -9.526 1.00 55.23 H new ATOM 0 HG1 THR A 114 17.271 24.307 -7.208 1.00 42.12 H new ATOM 0 HG21 THR A 114 14.481 25.871 -7.588 1.00 14.22 H new ATOM 0 HG22 THR A 114 13.894 24.478 -8.527 1.00 14.22 H new ATOM 0 HG23 THR A 114 14.773 24.216 -7.003 1.00 14.22 H new ATOM 1810 N VAL A 115 14.666 21.824 -9.723 1.00 33.52 N ATOM 1811 CA VAL A 115 13.704 21.181 -10.602 1.00 61.32 C ATOM 1812 C VAL A 115 12.310 21.270 -9.978 1.00 71.43 C ATOM 1813 O VAL A 115 12.144 21.836 -8.899 1.00 30.41 O ATOM 1814 CB VAL A 115 14.139 19.743 -10.891 1.00 61.44 C ATOM 1815 CG1 VAL A 115 15.580 19.504 -10.436 1.00 30.40 C ATOM 1816 CG2 VAL A 115 13.185 18.740 -10.240 1.00 75.32 C ATOM 0 H VAL A 115 14.697 21.447 -8.776 1.00 33.52 H new ATOM 0 HA VAL A 115 13.663 21.693 -11.563 1.00 61.32 H new ATOM 0 HB VAL A 115 14.099 19.592 -11.970 1.00 61.44 H new ATOM 0 HG11 VAL A 115 15.864 18.474 -10.653 1.00 30.40 H new ATOM 0 HG12 VAL A 115 16.247 20.184 -10.967 1.00 30.40 H new ATOM 0 HG13 VAL A 115 15.657 19.683 -9.364 1.00 30.40 H new ATOM 0 HG21 VAL A 115 13.517 17.726 -10.461 1.00 75.32 H new ATOM 0 HG22 VAL A 115 13.178 18.892 -9.161 1.00 75.32 H new ATOM 0 HG23 VAL A 115 12.179 18.886 -10.634 1.00 75.32 H new ATOM 1826 N SER A 116 11.343 20.702 -10.684 1.00 42.04 N ATOM 1827 CA SER A 116 9.969 20.710 -10.213 1.00 53.03 C ATOM 1828 C SER A 116 9.114 19.781 -11.078 1.00 31.13 C ATOM 1829 O SER A 116 8.915 20.039 -12.264 1.00 22.02 O ATOM 1830 CB SER A 116 9.391 22.127 -10.225 1.00 32.40 C ATOM 1831 OG SER A 116 8.782 22.445 -11.474 1.00 31.55 O ATOM 0 H SER A 116 11.484 20.233 -11.579 1.00 42.04 H new ATOM 0 HA SER A 116 9.958 20.351 -9.184 1.00 53.03 H new ATOM 0 HB2 SER A 116 8.655 22.225 -9.427 1.00 32.40 H new ATOM 0 HB3 SER A 116 10.185 22.844 -10.016 1.00 32.40 H new ATOM 0 HG SER A 116 8.605 21.619 -11.972 1.00 31.55 H new ATOM 1837 N PHE A 117 8.631 18.719 -10.450 1.00 30.04 N ATOM 1838 CA PHE A 117 7.802 17.750 -11.146 1.00 41.14 C ATOM 1839 C PHE A 117 6.391 18.297 -11.373 1.00 3.44 C ATOM 1840 O PHE A 117 6.118 19.460 -11.077 1.00 73.41 O ATOM 1841 CB PHE A 117 7.718 16.510 -10.255 1.00 22.24 C ATOM 1842 CG PHE A 117 8.987 15.654 -10.258 1.00 13.22 C ATOM 1843 CD1 PHE A 117 10.202 16.240 -10.089 1.00 64.02 C ATOM 1844 CD2 PHE A 117 8.898 14.308 -10.429 1.00 64.11 C ATOM 1845 CE1 PHE A 117 11.380 15.446 -10.092 1.00 73.10 C ATOM 1846 CE2 PHE A 117 10.076 13.514 -10.432 1.00 34.11 C ATOM 1847 CZ PHE A 117 11.291 14.100 -10.263 1.00 64.43 C ATOM 0 H PHE A 117 8.798 18.508 -9.466 1.00 30.04 H new ATOM 0 HA PHE A 117 8.235 17.522 -12.120 1.00 41.14 H new ATOM 0 HB2 PHE A 117 7.506 16.823 -9.233 1.00 22.24 H new ATOM 0 HB3 PHE A 117 6.878 15.897 -10.581 1.00 22.24 H new ATOM 0 HD1 PHE A 117 10.272 17.309 -9.952 1.00 64.02 H new ATOM 0 HD2 PHE A 117 7.932 13.843 -10.562 1.00 64.11 H new ATOM 0 HE1 PHE A 117 12.346 15.911 -9.959 1.00 73.10 H new ATOM 0 HE2 PHE A 117 10.006 12.445 -10.569 1.00 34.11 H new ATOM 0 HZ PHE A 117 12.186 13.496 -10.265 1.00 64.43 H new ATOM 1922 N ALA A 123 11.032 21.350 -5.275 1.00 1.10 N ATOM 1923 CA ALA A 123 12.148 22.139 -5.770 1.00 15.25 C ATOM 1924 C ALA A 123 13.450 21.367 -5.550 1.00 50.00 C ATOM 1925 O ALA A 123 14.381 21.877 -4.929 1.00 31.05 O ATOM 1926 CB ALA A 123 12.155 23.503 -5.077 1.00 13.51 C ATOM 0 HA ALA A 123 12.047 22.317 -6.841 1.00 15.25 H new ATOM 0 HB1 ALA A 123 12.992 24.095 -5.448 1.00 13.51 H new ATOM 0 HB2 ALA A 123 11.221 24.023 -5.288 1.00 13.51 H new ATOM 0 HB3 ALA A 123 12.258 23.364 -4.001 1.00 13.51 H new ATOM 1932 N TYR A 124 13.474 20.150 -6.072 1.00 70.33 N ATOM 1933 CA TYR A 124 14.647 19.302 -5.941 1.00 51.02 C ATOM 1934 C TYR A 124 15.922 20.073 -6.289 1.00 60.44 C ATOM 1935 O TYR A 124 16.181 20.356 -7.458 1.00 14.40 O ATOM 1936 CB TYR A 124 14.461 18.166 -6.949 1.00 32.22 C ATOM 1937 CG TYR A 124 13.304 17.221 -6.615 1.00 4.31 C ATOM 1938 CD1 TYR A 124 12.560 17.420 -5.470 1.00 33.11 C ATOM 1939 CD2 TYR A 124 13.006 16.171 -7.459 1.00 30.34 C ATOM 1940 CE1 TYR A 124 11.471 16.531 -5.156 1.00 24.13 C ATOM 1941 CE2 TYR A 124 11.918 15.282 -7.144 1.00 74.33 C ATOM 1942 CZ TYR A 124 11.204 15.506 -6.008 1.00 60.34 C ATOM 1943 OH TYR A 124 10.176 14.666 -5.712 1.00 1.14 O ATOM 0 H TYR A 124 12.700 19.730 -6.587 1.00 70.33 H new ATOM 0 HA TYR A 124 14.747 18.940 -4.918 1.00 51.02 H new ATOM 0 HB2 TYR A 124 14.293 18.595 -7.937 1.00 32.22 H new ATOM 0 HB3 TYR A 124 15.384 17.589 -7.005 1.00 32.22 H new ATOM 0 HD1 TYR A 124 12.794 18.242 -4.810 1.00 33.11 H new ATOM 0 HD2 TYR A 124 13.588 16.016 -8.355 1.00 30.34 H new ATOM 0 HE1 TYR A 124 10.880 16.676 -4.264 1.00 24.13 H new ATOM 0 HE2 TYR A 124 11.674 14.456 -7.795 1.00 74.33 H new ATOM 0 HH TYR A 124 10.101 13.982 -6.410 1.00 1.14 H new ATOM 1953 N THR A 125 16.685 20.389 -5.254 1.00 2.43 N ATOM 1954 CA THR A 125 17.927 21.122 -5.435 1.00 60.44 C ATOM 1955 C THR A 125 19.120 20.163 -5.411 1.00 15.50 C ATOM 1956 O THR A 125 19.669 19.877 -4.348 1.00 52.23 O ATOM 1957 CB THR A 125 17.998 22.207 -4.359 1.00 54.15 C ATOM 1958 OG1 THR A 125 17.202 23.267 -4.883 1.00 32.12 O ATOM 1959 CG2 THR A 125 19.395 22.817 -4.234 1.00 40.41 C ATOM 0 H THR A 125 16.468 20.151 -4.286 1.00 2.43 H new ATOM 0 HA THR A 125 17.960 21.609 -6.410 1.00 60.44 H new ATOM 0 HB THR A 125 17.699 21.787 -3.399 1.00 54.15 H new ATOM 0 HG1 THR A 125 16.271 22.971 -4.957 1.00 32.12 H new ATOM 0 HG21 THR A 125 19.390 23.581 -3.457 1.00 40.41 H new ATOM 0 HG22 THR A 125 20.110 22.037 -3.972 1.00 40.41 H new ATOM 0 HG23 THR A 125 19.682 23.268 -5.184 1.00 40.41 H new ATOM 1967 N LEU A 126 19.485 19.694 -6.595 1.00 11.21 N ATOM 1968 CA LEU A 126 20.602 18.774 -6.723 1.00 3.12 C ATOM 1969 C LEU A 126 21.882 19.463 -6.245 1.00 40.20 C ATOM 1970 O LEU A 126 22.399 20.355 -6.917 1.00 21.35 O ATOM 1971 CB LEU A 126 20.691 18.235 -8.152 1.00 21.52 C ATOM 1972 CG LEU A 126 21.954 17.440 -8.491 1.00 75.53 C ATOM 1973 CD1 LEU A 126 23.086 18.370 -8.930 1.00 31.10 C ATOM 1974 CD2 LEU A 126 22.368 16.544 -7.322 1.00 61.44 C ATOM 0 H LEU A 126 19.027 19.934 -7.474 1.00 11.21 H new ATOM 0 HA LEU A 126 20.452 17.902 -6.087 1.00 3.12 H new ATOM 0 HB2 LEU A 126 19.825 17.598 -8.334 1.00 21.52 H new ATOM 0 HB3 LEU A 126 20.619 19.076 -8.842 1.00 21.52 H new ATOM 0 HG LEU A 126 21.730 16.786 -9.334 1.00 75.53 H new ATOM 0 HD11 LEU A 126 23.972 17.780 -9.165 1.00 31.10 H new ATOM 0 HD12 LEU A 126 22.777 18.928 -9.814 1.00 31.10 H new ATOM 0 HD13 LEU A 126 23.318 19.067 -8.124 1.00 31.10 H new ATOM 0 HD21 LEU A 126 23.268 15.990 -7.589 1.00 61.44 H new ATOM 0 HD22 LEU A 126 22.568 17.159 -6.445 1.00 61.44 H new ATOM 0 HD23 LEU A 126 21.564 15.843 -7.098 1.00 61.44 H new ATOM 1986 N ARG A 127 22.356 19.024 -5.088 1.00 61.15 N ATOM 1987 CA ARG A 127 23.566 19.587 -4.513 1.00 14.30 C ATOM 1988 C ARG A 127 24.771 18.705 -4.842 1.00 62.33 C ATOM 1989 O ARG A 127 24.651 17.740 -5.596 1.00 22.01 O ATOM 1990 CB ARG A 127 23.441 19.723 -2.994 1.00 63.01 C ATOM 1991 CG ARG A 127 23.794 21.141 -2.540 1.00 32.24 C ATOM 1992 CD ARG A 127 22.686 22.128 -2.914 1.00 64.14 C ATOM 1993 NE ARG A 127 21.566 22.021 -1.953 1.00 63.21 N ATOM 1994 CZ ARG A 127 21.502 22.699 -0.787 1.00 72.44 C ATOM 1995 NH1 ARG A 127 22.495 23.540 -0.428 1.00 72.31 N ATOM 1996 NH2 ARG A 127 20.453 22.526 -0.004 1.00 44.40 N ATOM 0 H ARG A 127 21.924 18.285 -4.533 1.00 61.15 H new ATOM 0 HA ARG A 127 23.709 20.577 -4.945 1.00 14.30 H new ATOM 0 HB2 ARG A 127 22.424 19.481 -2.686 1.00 63.01 H new ATOM 0 HB3 ARG A 127 24.101 19.006 -2.505 1.00 63.01 H new ATOM 0 HG2 ARG A 127 23.948 21.153 -1.461 1.00 32.24 H new ATOM 0 HG3 ARG A 127 24.732 21.451 -3.000 1.00 32.24 H new ATOM 0 HD2 ARG A 127 23.079 23.145 -2.915 1.00 64.14 H new ATOM 0 HD3 ARG A 127 22.330 21.922 -3.924 1.00 64.14 H new ATOM 0 HE ARG A 127 20.794 21.396 -2.186 1.00 63.21 H new ATOM 0 HH11 ARG A 127 23.302 23.667 -1.039 1.00 72.31 H new ATOM 0 HH12 ARG A 127 22.439 24.048 0.455 1.00 72.31 H new ATOM 0 HH21 ARG A 127 19.708 21.888 -0.284 1.00 44.40 H new ATOM 0 HH22 ARG A 127 20.388 23.030 0.880 1.00 44.40 H new ATOM 2009 N GLU A 128 25.906 19.067 -4.261 1.00 75.43 N ATOM 2010 CA GLU A 128 27.132 18.320 -4.484 1.00 32.44 C ATOM 2011 C GLU A 128 28.111 18.552 -3.331 1.00 61.32 C ATOM 2012 O GLU A 128 28.714 19.619 -3.230 1.00 13.25 O ATOM 2013 CB GLU A 128 27.766 18.693 -5.825 1.00 74.32 C ATOM 2014 CG GLU A 128 29.244 18.300 -5.861 1.00 50.33 C ATOM 2015 CD GLU A 128 29.804 18.403 -7.282 1.00 31.24 C ATOM 2016 OE1 GLU A 128 30.113 17.375 -7.902 1.00 24.43 O ATOM 2017 OE2 GLU A 128 29.912 19.604 -7.739 1.00 63.04 O ATOM 0 H GLU A 128 26.002 19.868 -3.636 1.00 75.43 H new ATOM 0 HA GLU A 128 26.886 17.259 -4.519 1.00 32.44 H new ATOM 0 HB2 GLU A 128 27.233 18.194 -6.634 1.00 74.32 H new ATOM 0 HB3 GLU A 128 27.667 19.766 -5.992 1.00 74.32 H new ATOM 0 HG2 GLU A 128 29.813 18.948 -5.194 1.00 50.33 H new ATOM 0 HG3 GLU A 128 29.362 17.281 -5.493 1.00 50.33 H new ATOM 2025 N LYS A 129 28.240 17.535 -2.492 1.00 35.40 N ATOM 2026 CA LYS A 129 29.135 17.614 -1.351 1.00 4.53 C ATOM 2027 C LYS A 129 30.391 18.393 -1.747 1.00 64.14 C ATOM 2028 O LYS A 129 31.309 17.834 -2.347 1.00 11.33 O ATOM 2029 CB LYS A 129 29.426 16.217 -0.799 1.00 43.31 C ATOM 2030 CG LYS A 129 28.145 15.548 -0.297 1.00 41.31 C ATOM 2031 CD LYS A 129 28.459 14.242 0.435 1.00 62.24 C ATOM 2032 CE LYS A 129 27.334 13.871 1.402 1.00 35.01 C ATOM 2033 NZ LYS A 129 27.598 14.434 2.745 1.00 11.11 N ATOM 0 H LYS A 129 27.739 16.651 -2.580 1.00 35.40 H new ATOM 0 HA LYS A 129 28.664 18.161 -0.535 1.00 4.53 H new ATOM 0 HB2 LYS A 129 29.881 15.603 -1.576 1.00 43.31 H new ATOM 0 HB3 LYS A 129 30.147 16.287 0.015 1.00 43.31 H new ATOM 0 HG2 LYS A 129 27.615 16.226 0.372 1.00 41.31 H new ATOM 0 HG3 LYS A 129 27.482 15.347 -1.138 1.00 41.31 H new ATOM 0 HD2 LYS A 129 28.600 13.440 -0.289 1.00 62.24 H new ATOM 0 HD3 LYS A 129 29.395 14.344 0.983 1.00 62.24 H new ATOM 0 HE2 LYS A 129 26.383 14.247 1.024 1.00 35.01 H new ATOM 0 HE3 LYS A 129 27.245 12.787 1.467 1.00 35.01 H new ATOM 0 HZ1 LYS A 129 26.824 14.173 3.389 1.00 11.11 H new ATOM 0 HZ2 LYS A 129 28.495 14.055 3.110 1.00 11.11 H new ATOM 0 HZ3 LYS A 129 27.660 15.470 2.681 1.00 11.11 H new ATOM 2046 N PRO A 130 30.392 19.704 -1.388 1.00 4.45 N ATOM 2047 CA PRO A 130 31.521 20.565 -1.699 1.00 54.24 C ATOM 2048 C PRO A 130 32.704 20.275 -0.774 1.00 61.22 C ATOM 2049 O PRO A 130 32.757 19.222 -0.140 1.00 1.30 O ATOM 2050 CB PRO A 130 30.987 21.981 -1.555 1.00 11.13 C ATOM 2051 CG PRO A 130 29.721 21.866 -0.721 1.00 3.33 C ATOM 2052 CD PRO A 130 29.323 20.400 -0.677 1.00 4.01 C ATOM 0 HA PRO A 130 31.911 20.401 -2.704 1.00 54.24 H new ATOM 0 HB2 PRO A 130 31.718 22.627 -1.068 1.00 11.13 H new ATOM 0 HB3 PRO A 130 30.774 22.419 -2.530 1.00 11.13 H new ATOM 0 HG2 PRO A 130 29.892 22.245 0.286 1.00 3.33 H new ATOM 0 HG3 PRO A 130 28.922 22.466 -1.156 1.00 3.33 H new ATOM 0 HD2 PRO A 130 29.233 20.045 0.350 1.00 4.01 H new ATOM 0 HD3 PRO A 130 28.358 20.237 -1.156 1.00 4.01 H new