USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 99 SER OG : rot -116:sc= -2.3! USER MOD Set 1.2: A 106 THR OG1 : rot -94:sc= 0.58! USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 41 ASN :FLIP amide:sc= -0.913 F(o=-2!,f=-0.91) USER MOD Single : A 20 CYS SG : rot -56:sc= -27.2! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.127 USER MOD Single : A 42 THR OG1 : rot 180:sc= -3.27! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 106:sc= -3.52! USER MOD Single : A 49 THR OG1 : rot 115:sc= 1.41 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -131:sc= 0.704 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 77 GLN : amide:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 82 ASN :FLIP amide:sc= -7.92! C(o=-8.5!,f=-7.9!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -170:sc= -4.68! USER MOD Single : A 85 MET CE :methyl 172:sc= -5.68! (180deg=-6.09!) USER MOD Single : A 89 SER OG : rot 18:sc= 0.63! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.7!) USER MOD Single : A 95 GLN : amide:sc= -4.14 K(o=-4.1,f=-11!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -68:sc= 1.05 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -7:sc= 0.64 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.991! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -8.206 -5.844 -1.728 1.00 0.00 N ATOM 160 CA PRO A 12 -6.917 -6.327 -1.228 1.00 0.00 C ATOM 161 C PRO A 12 -6.462 -5.511 -0.001 1.00 0.00 C ATOM 162 O PRO A 12 -7.204 -5.322 0.937 1.00 0.00 O ATOM 163 CB PRO A 12 -5.965 -6.112 -2.402 1.00 0.00 C ATOM 164 CG PRO A 12 -6.895 -6.155 -3.650 1.00 0.00 C ATOM 165 CD PRO A 12 -8.262 -5.590 -3.175 1.00 0.00 C ATOM 0 HA PRO A 12 -6.957 -7.366 -0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.444 -5.158 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.202 -6.889 -2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.486 -5.557 -4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.001 -7.173 -4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.366 -4.529 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.102 -6.100 -3.647 1.00 0.00 H new ATOM 173 N VAL A 13 -5.246 -5.024 0.005 1.00 0.00 N ATOM 174 CA VAL A 13 -4.771 -4.223 1.171 1.00 0.00 C ATOM 175 C VAL A 13 -5.120 -2.751 0.924 1.00 0.00 C ATOM 176 O VAL A 13 -4.506 -2.108 0.099 1.00 0.00 O ATOM 177 CB VAL A 13 -3.254 -4.371 1.303 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.821 -3.952 2.708 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.862 -5.831 1.063 1.00 0.00 C ATOM 0 H VAL A 13 -4.565 -5.147 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.248 -4.573 2.087 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.761 -3.736 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.740 -4.057 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.101 -2.913 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.313 -4.587 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.781 -5.938 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.355 -6.466 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.171 -6.131 0.061 1.00 0.00 H new ATOM 189 N PRO A 14 -6.108 -2.259 1.632 1.00 0.00 N ATOM 190 CA PRO A 14 -6.552 -0.882 1.469 1.00 0.00 C ATOM 191 C PRO A 14 -5.479 0.098 1.941 1.00 0.00 C ATOM 192 O PRO A 14 -5.101 0.107 3.095 1.00 0.00 O ATOM 193 CB PRO A 14 -7.801 -0.777 2.340 1.00 0.00 C ATOM 194 CG PRO A 14 -7.600 -1.906 3.396 1.00 0.00 C ATOM 195 CD PRO A 14 -6.837 -3.033 2.649 1.00 0.00 C ATOM 0 HA PRO A 14 -6.751 -0.634 0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.882 0.203 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.710 -0.928 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.030 -1.546 4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.557 -2.264 3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.165 -3.582 3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.513 -3.763 2.204 1.00 0.00 H new ATOM 203 N LEU A 15 -5.000 0.935 1.059 1.00 0.00 N ATOM 204 CA LEU A 15 -3.970 1.929 1.464 1.00 0.00 C ATOM 205 C LEU A 15 -4.560 3.336 1.331 1.00 0.00 C ATOM 206 O LEU A 15 -4.102 4.123 0.529 1.00 0.00 O ATOM 207 CB LEU A 15 -2.733 1.806 0.570 1.00 0.00 C ATOM 208 CG LEU A 15 -2.254 0.354 0.559 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.837 -0.042 -0.858 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.056 0.211 1.497 1.00 0.00 C ATOM 0 H LEU A 15 -5.278 0.971 0.078 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.675 1.743 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.970 2.130 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.940 2.459 0.936 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.063 -0.296 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.496 -1.077 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.689 0.062 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.028 0.607 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.711 -0.823 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.250 0.864 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.351 0.490 2.509 1.00 0.00 H new ATOM 222 N PRO A 16 -5.566 3.604 2.129 1.00 0.00 N ATOM 223 CA PRO A 16 -6.236 4.896 2.136 1.00 0.00 C ATOM 224 C PRO A 16 -5.262 6.010 2.517 1.00 0.00 C ATOM 225 O PRO A 16 -5.378 7.120 2.034 1.00 0.00 O ATOM 226 CB PRO A 16 -7.363 4.745 3.159 1.00 0.00 C ATOM 227 CG PRO A 16 -6.890 3.551 4.043 1.00 0.00 C ATOM 228 CD PRO A 16 -6.103 2.624 3.078 1.00 0.00 C ATOM 0 HA PRO A 16 -6.624 5.172 1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.496 5.653 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.318 4.535 2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.259 3.893 4.864 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.737 3.029 4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.316 2.069 3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.747 1.890 2.594 1.00 0.00 H new ATOM 236 N GLU A 17 -4.279 5.734 3.340 1.00 0.00 N ATOM 237 CA GLU A 17 -3.296 6.807 3.675 1.00 0.00 C ATOM 238 C GLU A 17 -2.875 7.439 2.350 1.00 0.00 C ATOM 239 O GLU A 17 -2.565 8.610 2.256 1.00 0.00 O ATOM 240 CB GLU A 17 -2.077 6.198 4.374 1.00 0.00 C ATOM 241 CG GLU A 17 -1.787 6.974 5.660 1.00 0.00 C ATOM 242 CD GLU A 17 -0.287 6.922 5.960 1.00 0.00 C ATOM 243 OE1 GLU A 17 0.440 6.376 5.147 1.00 0.00 O ATOM 244 OE2 GLU A 17 0.108 7.430 6.996 1.00 0.00 O ATOM 0 H GLU A 17 -4.118 4.831 3.785 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.732 7.548 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.262 5.149 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.211 6.231 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.112 8.009 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.350 6.547 6.490 1.00 0.00 H new ATOM 251 N LEU A 18 -2.919 6.643 1.318 1.00 0.00 N ATOM 252 CA LEU A 18 -2.589 7.112 -0.050 1.00 0.00 C ATOM 253 C LEU A 18 -3.907 7.176 -0.829 1.00 0.00 C ATOM 254 O LEU A 18 -4.393 6.164 -1.294 1.00 0.00 O ATOM 255 CB LEU A 18 -1.660 6.093 -0.709 1.00 0.00 C ATOM 256 CG LEU A 18 -0.705 6.800 -1.666 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.694 6.848 -1.049 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.656 6.025 -2.982 1.00 0.00 C ATOM 0 H LEU A 18 -3.178 5.658 1.372 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.098 8.085 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.094 5.558 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.247 5.350 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.052 7.817 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.376 7.353 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.657 7.392 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.047 5.833 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.024 6.523 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.304 5.011 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.654 5.987 -3.419 1.00 0.00 H new ATOM 270 N PRO A 19 -4.473 8.352 -0.917 1.00 0.00 N ATOM 271 CA PRO A 19 -5.751 8.537 -1.588 1.00 0.00 C ATOM 272 C PRO A 19 -5.641 8.276 -3.092 1.00 0.00 C ATOM 273 O PRO A 19 -4.567 8.238 -3.657 1.00 0.00 O ATOM 274 CB PRO A 19 -6.128 9.986 -1.307 1.00 0.00 C ATOM 275 CG PRO A 19 -4.756 10.671 -1.021 1.00 0.00 C ATOM 276 CD PRO A 19 -3.872 9.573 -0.362 1.00 0.00 C ATOM 0 HA PRO A 19 -6.504 7.837 -1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.634 10.441 -2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.802 10.067 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.302 11.040 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.876 11.528 -0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.821 9.674 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.925 9.600 0.726 1.00 0.00 H new ATOM 284 N CYS A 20 -6.763 8.082 -3.731 1.00 0.00 N ATOM 285 CA CYS A 20 -6.767 7.802 -5.194 1.00 0.00 C ATOM 286 C CYS A 20 -6.824 9.115 -5.989 1.00 0.00 C ATOM 287 O CYS A 20 -5.836 9.810 -6.119 1.00 0.00 O ATOM 288 CB CYS A 20 -7.987 6.939 -5.520 1.00 0.00 C ATOM 289 SG CYS A 20 -7.846 5.357 -4.654 1.00 0.00 S ATOM 0 H CYS A 20 -7.686 8.106 -3.297 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.853 7.276 -5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.901 7.452 -5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.054 6.774 -6.595 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.723 4.785 -4.974 1.00 0.00 H new ATOM 295 N GLU A 21 -7.966 9.458 -6.531 1.00 0.00 N ATOM 296 CA GLU A 21 -8.069 10.719 -7.320 1.00 0.00 C ATOM 297 C GLU A 21 -8.806 11.777 -6.498 1.00 0.00 C ATOM 298 O GLU A 21 -9.805 12.322 -6.924 1.00 0.00 O ATOM 299 CB GLU A 21 -8.843 10.447 -8.614 1.00 0.00 C ATOM 300 CG GLU A 21 -8.090 11.057 -9.798 1.00 0.00 C ATOM 301 CD GLU A 21 -9.073 11.363 -10.928 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.995 12.129 -10.694 1.00 0.00 O ATOM 303 OE2 GLU A 21 -8.891 10.826 -12.008 1.00 0.00 O ATOM 0 H GLU A 21 -8.829 8.919 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.069 11.080 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.963 9.373 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.844 10.873 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.582 11.970 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.322 10.367 -10.148 1.00 0.00 H new ATOM 310 N LYS A 22 -8.326 12.067 -5.320 1.00 0.00 N ATOM 311 CA LYS A 22 -9.006 13.085 -4.472 1.00 0.00 C ATOM 312 C LYS A 22 -10.472 12.692 -4.296 1.00 0.00 C ATOM 313 O LYS A 22 -11.308 13.503 -3.952 1.00 0.00 O ATOM 314 CB LYS A 22 -8.921 14.455 -5.148 1.00 0.00 C ATOM 315 CG LYS A 22 -7.494 14.694 -5.644 1.00 0.00 C ATOM 316 CD LYS A 22 -6.886 15.884 -4.896 1.00 0.00 C ATOM 317 CE LYS A 22 -6.936 17.127 -5.785 1.00 0.00 C ATOM 318 NZ LYS A 22 -5.559 17.669 -5.960 1.00 0.00 N ATOM 0 H LYS A 22 -7.494 11.644 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.520 13.134 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.620 14.504 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.208 15.237 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.888 13.802 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.498 14.889 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.434 16.064 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.855 15.664 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.366 16.876 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.581 17.882 -5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.593 18.514 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.165 17.923 -5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.956 16.948 -6.406 1.00 0.00 H new ATOM 332 N SER A 23 -10.789 11.448 -4.531 1.00 0.00 N ATOM 333 CA SER A 23 -12.200 10.994 -4.381 1.00 0.00 C ATOM 334 C SER A 23 -12.334 10.178 -3.096 1.00 0.00 C ATOM 335 O SER A 23 -11.468 10.198 -2.244 1.00 0.00 O ATOM 336 CB SER A 23 -12.585 10.125 -5.579 1.00 0.00 C ATOM 337 OG SER A 23 -14.000 10.103 -5.708 1.00 0.00 O ATOM 0 H SER A 23 -10.130 10.725 -4.821 1.00 0.00 H new ATOM 0 HA SER A 23 -12.860 11.860 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.132 10.518 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.205 9.112 -5.445 1.00 0.00 H new ATOM 0 HG SER A 23 -14.250 9.548 -6.476 1.00 0.00 H new ATOM 343 N ASP A 24 -13.411 9.458 -2.950 1.00 0.00 N ATOM 344 CA ASP A 24 -13.595 8.637 -1.721 1.00 0.00 C ATOM 345 C ASP A 24 -12.990 7.250 -1.943 1.00 0.00 C ATOM 346 O ASP A 24 -13.406 6.279 -1.346 1.00 0.00 O ATOM 347 CB ASP A 24 -15.088 8.499 -1.416 1.00 0.00 C ATOM 348 CG ASP A 24 -15.661 9.866 -1.035 1.00 0.00 C ATOM 349 OD1 ASP A 24 -15.003 10.857 -1.303 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.747 9.896 -0.482 1.00 0.00 O ATOM 0 H ASP A 24 -14.171 9.403 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.098 9.123 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.612 8.103 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.240 7.790 -0.602 1.00 0.00 H new ATOM 355 N ALA A 25 -12.010 7.148 -2.802 1.00 0.00 N ATOM 356 CA ALA A 25 -11.384 5.824 -3.061 1.00 0.00 C ATOM 357 C ALA A 25 -9.978 5.798 -2.458 1.00 0.00 C ATOM 358 O ALA A 25 -9.273 6.787 -2.459 1.00 0.00 O ATOM 359 CB ALA A 25 -11.298 5.595 -4.570 1.00 0.00 C ATOM 0 H ALA A 25 -11.618 7.925 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.986 5.038 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.840 4.626 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.300 5.616 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.693 6.380 -5.023 1.00 0.00 H new ATOM 365 N TYR A 26 -9.564 4.673 -1.943 1.00 0.00 N ATOM 366 CA TYR A 26 -8.203 4.585 -1.342 1.00 0.00 C ATOM 367 C TYR A 26 -7.290 3.780 -2.270 1.00 0.00 C ATOM 368 O TYR A 26 -7.700 3.332 -3.320 1.00 0.00 O ATOM 369 CB TYR A 26 -8.280 3.901 0.028 1.00 0.00 C ATOM 370 CG TYR A 26 -9.461 2.964 0.078 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.447 1.775 -0.659 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.570 3.285 0.869 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.543 0.907 -0.606 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.665 2.417 0.923 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.651 1.229 0.185 1.00 0.00 C ATOM 376 OH TYR A 26 -12.733 0.373 0.239 1.00 0.00 O ATOM 0 H TYR A 26 -10.109 3.811 -1.912 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.799 5.589 -1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.360 3.348 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.369 4.652 0.813 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.591 1.527 -1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.580 4.203 1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.534 -0.011 -1.175 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.521 2.664 1.534 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.416 0.746 0.835 1.00 0.00 H new ATOM 386 N PHE A 27 -6.050 3.601 -1.904 1.00 0.00 N ATOM 387 CA PHE A 27 -5.124 2.839 -2.791 1.00 0.00 C ATOM 388 C PHE A 27 -5.000 1.383 -2.330 1.00 0.00 C ATOM 389 O PHE A 27 -3.986 0.972 -1.811 1.00 0.00 O ATOM 390 CB PHE A 27 -3.742 3.495 -2.771 1.00 0.00 C ATOM 391 CG PHE A 27 -3.511 4.203 -4.083 1.00 0.00 C ATOM 392 CD1 PHE A 27 -4.589 4.775 -4.768 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.219 4.284 -4.618 1.00 0.00 C ATOM 394 CE1 PHE A 27 -4.377 5.429 -5.986 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.008 4.938 -5.837 1.00 0.00 C ATOM 396 CZ PHE A 27 -3.087 5.510 -6.521 1.00 0.00 C ATOM 0 H PHE A 27 -5.640 3.946 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.529 2.851 -3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.674 4.203 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.971 2.742 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.585 4.711 -4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.387 3.842 -4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.209 5.871 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.012 5.001 -6.250 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.924 6.014 -7.462 1.00 0.00 H new ATOM 406 N VAL A 28 -6.012 0.591 -2.534 1.00 0.00 N ATOM 407 CA VAL A 28 -5.919 -0.842 -2.127 1.00 0.00 C ATOM 408 C VAL A 28 -4.729 -1.478 -2.850 1.00 0.00 C ATOM 409 O VAL A 28 -4.164 -0.894 -3.753 1.00 0.00 O ATOM 410 CB VAL A 28 -7.204 -1.586 -2.506 1.00 0.00 C ATOM 411 CG1 VAL A 28 -8.235 -1.435 -1.386 1.00 0.00 C ATOM 412 CG2 VAL A 28 -7.773 -1.007 -3.804 1.00 0.00 C ATOM 0 H VAL A 28 -6.896 0.868 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.785 -0.906 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.977 -2.642 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.148 -1.965 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.834 -1.854 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.459 -0.379 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.687 -1.539 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.997 0.051 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.042 -1.120 -4.604 1.00 0.00 H new ATOM 422 N LEU A 29 -4.338 -2.663 -2.467 1.00 0.00 N ATOM 423 CA LEU A 29 -3.180 -3.315 -3.142 1.00 0.00 C ATOM 424 C LEU A 29 -3.663 -4.511 -3.959 1.00 0.00 C ATOM 425 O LEU A 29 -3.703 -5.625 -3.477 1.00 0.00 O ATOM 426 CB LEU A 29 -2.172 -3.802 -2.093 1.00 0.00 C ATOM 427 CG LEU A 29 -0.774 -3.940 -2.719 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.061 -4.911 -1.886 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.877 -4.483 -4.148 1.00 0.00 C ATOM 0 H LEU A 29 -4.769 -3.206 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.703 -2.589 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.137 -3.101 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.493 -4.762 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.305 -2.956 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.052 -5.010 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.154 -4.531 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.427 -5.886 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.122 -4.574 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.355 -5.462 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.470 -3.799 -4.755 1.00 0.00 H new ATOM 441 N ARG A 30 -4.009 -4.299 -5.195 1.00 0.00 N ATOM 442 CA ARG A 30 -4.466 -5.437 -6.033 1.00 0.00 C ATOM 443 C ARG A 30 -3.248 -6.063 -6.708 1.00 0.00 C ATOM 444 O ARG A 30 -2.231 -5.423 -6.890 1.00 0.00 O ATOM 445 CB ARG A 30 -5.448 -4.935 -7.095 1.00 0.00 C ATOM 446 CG ARG A 30 -6.859 -5.421 -6.753 1.00 0.00 C ATOM 447 CD ARG A 30 -7.629 -4.299 -6.053 1.00 0.00 C ATOM 448 NE ARG A 30 -8.192 -3.373 -7.074 1.00 0.00 N ATOM 449 CZ ARG A 30 -9.161 -3.770 -7.852 1.00 0.00 C ATOM 450 NH1 ARG A 30 -10.377 -3.853 -7.387 1.00 0.00 N ATOM 451 NH2 ARG A 30 -8.913 -4.086 -9.094 1.00 0.00 N ATOM 0 H ARG A 30 -3.995 -3.391 -5.660 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.969 -6.179 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.427 -3.846 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.154 -5.300 -8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.381 -5.723 -7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.807 -6.298 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.431 -4.718 -5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.968 -3.755 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.820 -2.428 -7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.570 -3.608 -6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.135 -4.163 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.962 -4.023 -9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.671 -4.396 -9.702 1.00 0.00 H new ATOM 465 N ASP A 31 -3.332 -7.310 -7.071 1.00 0.00 N ATOM 466 CA ASP A 31 -2.166 -7.970 -7.721 1.00 0.00 C ATOM 467 C ASP A 31 -2.517 -8.310 -9.171 1.00 0.00 C ATOM 468 O ASP A 31 -3.124 -9.325 -9.451 1.00 0.00 O ATOM 469 CB ASP A 31 -1.817 -9.252 -6.962 1.00 0.00 C ATOM 470 CG ASP A 31 -2.987 -10.235 -7.053 1.00 0.00 C ATOM 471 OD1 ASP A 31 -4.037 -9.926 -6.515 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.812 -11.279 -7.659 1.00 0.00 O ATOM 0 H ASP A 31 -4.154 -7.900 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.309 -7.296 -7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.917 -9.702 -7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.602 -9.022 -5.918 1.00 0.00 H new ATOM 477 N GLY A 32 -2.140 -7.472 -10.097 1.00 0.00 N ATOM 478 CA GLY A 32 -2.456 -7.752 -11.526 1.00 0.00 C ATOM 479 C GLY A 32 -1.997 -9.166 -11.884 1.00 0.00 C ATOM 480 O GLY A 32 -1.517 -9.904 -11.046 1.00 0.00 O ATOM 0 H GLY A 32 -1.628 -6.607 -9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.528 -7.652 -11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.960 -7.024 -12.168 1.00 0.00 H new ATOM 484 N ALA A 33 -2.139 -9.551 -13.122 1.00 0.00 N ATOM 485 CA ALA A 33 -1.709 -10.917 -13.532 1.00 0.00 C ATOM 486 C ALA A 33 -0.215 -10.901 -13.865 1.00 0.00 C ATOM 487 O ALA A 33 0.213 -11.441 -14.867 1.00 0.00 O ATOM 488 CB ALA A 33 -2.503 -11.354 -14.766 1.00 0.00 C ATOM 0 H ALA A 33 -2.534 -8.978 -13.868 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.893 -11.617 -12.717 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.188 -12.354 -15.066 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.567 -11.364 -14.529 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.320 -10.656 -15.583 1.00 0.00 H new ATOM 494 N ALA A 34 0.580 -10.286 -13.036 1.00 0.00 N ATOM 495 CA ALA A 34 2.044 -10.235 -13.305 1.00 0.00 C ATOM 496 C ALA A 34 2.773 -9.726 -12.060 1.00 0.00 C ATOM 497 O ALA A 34 3.778 -10.275 -11.650 1.00 0.00 O ATOM 498 CB ALA A 34 2.313 -9.287 -14.477 1.00 0.00 C ATOM 0 H ALA A 34 0.279 -9.816 -12.182 1.00 0.00 H new ATOM 0 HA ALA A 34 2.404 -11.233 -13.554 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.384 -9.248 -14.675 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.793 -9.648 -15.364 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.954 -8.289 -14.227 1.00 0.00 H new ATOM 504 N GLY A 35 2.279 -8.681 -11.455 1.00 0.00 N ATOM 505 CA GLY A 35 2.947 -8.141 -10.237 1.00 0.00 C ATOM 506 C GLY A 35 1.900 -7.523 -9.309 1.00 0.00 C ATOM 507 O GLY A 35 0.735 -7.865 -9.355 1.00 0.00 O ATOM 0 H GLY A 35 1.442 -8.178 -11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.481 -8.938 -9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.687 -7.391 -10.518 1.00 0.00 H new ATOM 511 N VAL A 36 2.306 -6.614 -8.466 1.00 0.00 N ATOM 512 CA VAL A 36 1.335 -5.974 -7.534 1.00 0.00 C ATOM 513 C VAL A 36 1.216 -4.484 -7.867 1.00 0.00 C ATOM 514 O VAL A 36 1.942 -3.963 -8.690 1.00 0.00 O ATOM 515 CB VAL A 36 1.824 -6.142 -6.094 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.242 -7.595 -5.863 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.024 -5.223 -5.852 1.00 0.00 C ATOM 0 H VAL A 36 3.268 -6.287 -8.382 1.00 0.00 H new ATOM 0 HA VAL A 36 0.359 -6.448 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 36 1.020 -5.881 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.590 -7.715 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.389 -8.251 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.045 -7.856 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.373 -5.342 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.827 -5.484 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.728 -4.187 -6.016 1.00 0.00 H new ATOM 527 N PHE A 37 0.304 -3.795 -7.235 1.00 0.00 N ATOM 528 CA PHE A 37 0.140 -2.340 -7.521 1.00 0.00 C ATOM 529 C PHE A 37 -0.981 -1.771 -6.646 1.00 0.00 C ATOM 530 O PHE A 37 -1.879 -2.479 -6.236 1.00 0.00 O ATOM 531 CB PHE A 37 -0.221 -2.156 -8.998 1.00 0.00 C ATOM 532 CG PHE A 37 -1.637 -2.625 -9.225 1.00 0.00 C ATOM 533 CD1 PHE A 37 -1.976 -3.962 -8.987 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.611 -1.721 -9.659 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.292 -4.395 -9.187 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.928 -2.153 -9.857 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.268 -3.491 -9.621 1.00 0.00 C ATOM 0 H PHE A 37 -0.333 -4.175 -6.535 1.00 0.00 H new ATOM 0 HA PHE A 37 1.070 -1.815 -7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.123 -1.108 -9.281 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.467 -2.722 -9.626 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.223 -4.659 -8.649 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.348 -0.690 -9.842 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.554 -5.427 -9.006 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.681 -1.455 -10.191 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.284 -3.825 -9.774 1.00 0.00 H new ATOM 547 N LEU A 38 -0.943 -0.497 -6.362 1.00 0.00 N ATOM 548 CA LEU A 38 -2.014 0.108 -5.517 1.00 0.00 C ATOM 549 C LEU A 38 -3.142 0.621 -6.412 1.00 0.00 C ATOM 550 O LEU A 38 -3.032 1.664 -7.023 1.00 0.00 O ATOM 551 CB LEU A 38 -1.443 1.279 -4.705 1.00 0.00 C ATOM 552 CG LEU A 38 -0.078 0.916 -4.103 1.00 0.00 C ATOM 553 CD1 LEU A 38 -0.031 -0.571 -3.735 1.00 0.00 C ATOM 554 CD2 LEU A 38 1.025 1.226 -5.116 1.00 0.00 C ATOM 0 H LEU A 38 -0.220 0.149 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.399 -0.650 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.341 2.155 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.137 1.546 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 38 0.074 1.506 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.944 -0.810 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.809 -0.790 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.194 -1.172 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.994 0.968 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.861 0.643 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.007 2.288 -5.360 1.00 0.00 H new ATOM 566 N ALA A 39 -4.232 -0.095 -6.489 1.00 0.00 N ATOM 567 CA ALA A 39 -5.358 0.372 -7.342 1.00 0.00 C ATOM 568 C ALA A 39 -6.285 1.256 -6.510 1.00 0.00 C ATOM 569 O ALA A 39 -6.480 1.038 -5.326 1.00 0.00 O ATOM 570 CB ALA A 39 -6.150 -0.824 -7.877 1.00 0.00 C ATOM 0 H ALA A 39 -4.389 -0.977 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.956 0.937 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.971 -0.468 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.493 -1.459 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.551 -1.398 -7.042 1.00 0.00 H new ATOM 576 N ALA A 40 -6.859 2.252 -7.120 1.00 0.00 N ATOM 577 CA ALA A 40 -7.775 3.150 -6.372 1.00 0.00 C ATOM 578 C ALA A 40 -9.122 2.448 -6.193 1.00 0.00 C ATOM 579 O ALA A 40 -9.542 1.672 -7.029 1.00 0.00 O ATOM 580 CB ALA A 40 -7.966 4.448 -7.158 1.00 0.00 C ATOM 0 H ALA A 40 -6.733 2.483 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.353 3.383 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.638 5.109 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.002 4.939 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.394 4.222 -8.135 1.00 0.00 H new ATOM 586 N ASN A 41 -9.801 2.707 -5.111 1.00 0.00 N ATOM 587 CA ASN A 41 -11.118 2.048 -4.886 1.00 0.00 C ATOM 588 C ASN A 41 -12.140 2.616 -5.872 1.00 0.00 C ATOM 589 O ASN A 41 -13.228 2.096 -6.022 1.00 0.00 O ATOM 590 CB ASN A 41 -11.584 2.310 -3.454 1.00 0.00 C ATOM 591 CG ASN A 41 -13.044 1.875 -3.306 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.995 2.686 -3.679 1.00 0.00 O flip ATOM 593 ND2 ASN A 41 -13.321 0.784 -2.845 1.00 0.00 N flip ATOM 0 H ASN A 41 -9.502 3.345 -4.374 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.021 0.973 -5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.957 1.763 -2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.483 3.369 -3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.577 0.150 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.297 0.503 -2.750 1.00 0.00 H new ATOM 600 N THR A 42 -11.796 3.677 -6.547 1.00 0.00 N ATOM 601 CA THR A 42 -12.742 4.278 -7.526 1.00 0.00 C ATOM 602 C THR A 42 -12.515 3.654 -8.904 1.00 0.00 C ATOM 603 O THR A 42 -13.250 3.909 -9.837 1.00 0.00 O ATOM 604 CB THR A 42 -12.503 5.788 -7.604 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.204 6.085 -7.114 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.549 6.517 -6.760 1.00 0.00 C ATOM 0 H THR A 42 -10.899 4.154 -6.462 1.00 0.00 H new ATOM 0 HA THR A 42 -13.766 4.088 -7.206 1.00 0.00 H new ATOM 0 HB THR A 42 -12.585 6.116 -8.640 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.048 7.051 -7.165 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.377 7.592 -6.817 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.545 6.288 -7.138 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.471 6.191 -5.723 1.00 0.00 H new ATOM 614 N PHE A 43 -11.504 2.834 -9.038 1.00 0.00 N ATOM 615 CA PHE A 43 -11.225 2.186 -10.350 1.00 0.00 C ATOM 616 C PHE A 43 -12.551 1.770 -11.003 1.00 0.00 C ATOM 617 O PHE A 43 -13.443 1.303 -10.325 1.00 0.00 O ATOM 618 CB PHE A 43 -10.362 0.947 -10.112 1.00 0.00 C ATOM 619 CG PHE A 43 -9.920 0.376 -11.438 1.00 0.00 C ATOM 620 CD1 PHE A 43 -10.782 -0.449 -12.169 1.00 0.00 C ATOM 621 CD2 PHE A 43 -8.647 0.676 -11.938 1.00 0.00 C ATOM 622 CE1 PHE A 43 -10.371 -0.974 -13.401 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.236 0.152 -13.168 1.00 0.00 C ATOM 624 CZ PHE A 43 -9.098 -0.673 -13.900 1.00 0.00 C ATOM 0 H PHE A 43 -10.858 2.586 -8.289 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.702 2.881 -11.007 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.492 1.207 -9.509 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.926 0.200 -9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.764 -0.681 -11.784 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.982 1.313 -11.373 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.036 -1.611 -13.966 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.254 0.384 -13.553 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.781 -1.077 -14.850 1.00 0.00 H new ATOM 634 N PRO A 44 -12.644 1.945 -12.300 1.00 0.00 N ATOM 635 CA PRO A 44 -11.571 2.507 -13.111 1.00 0.00 C ATOM 636 C PRO A 44 -11.536 4.038 -13.004 1.00 0.00 C ATOM 637 O PRO A 44 -10.622 4.671 -13.494 1.00 0.00 O ATOM 638 CB PRO A 44 -11.927 2.094 -14.532 1.00 0.00 C ATOM 639 CG PRO A 44 -13.483 1.966 -14.499 1.00 0.00 C ATOM 640 CD PRO A 44 -13.854 1.563 -13.041 1.00 0.00 C ATOM 0 HA PRO A 44 -10.590 2.154 -12.792 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.601 2.838 -15.259 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.453 1.152 -14.806 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.957 2.908 -14.775 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.827 1.215 -15.210 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.736 2.094 -12.683 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.066 0.497 -12.954 1.00 0.00 H new ATOM 648 N LYS A 45 -12.519 4.642 -12.382 1.00 0.00 N ATOM 649 CA LYS A 45 -12.522 6.130 -12.265 1.00 0.00 C ATOM 650 C LYS A 45 -11.110 6.610 -11.925 1.00 0.00 C ATOM 651 O LYS A 45 -10.634 7.595 -12.453 1.00 0.00 O ATOM 652 CB LYS A 45 -13.497 6.558 -11.164 1.00 0.00 C ATOM 653 CG LYS A 45 -13.208 8.002 -10.760 1.00 0.00 C ATOM 654 CD LYS A 45 -14.324 8.515 -9.847 1.00 0.00 C ATOM 655 CE LYS A 45 -14.291 10.044 -9.811 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.045 10.585 -10.977 1.00 0.00 N ATOM 0 H LYS A 45 -13.315 4.170 -11.953 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.838 6.572 -13.210 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.524 6.467 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.398 5.901 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.249 8.061 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.133 8.630 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.292 8.170 -10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.199 8.114 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.730 10.406 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.260 10.397 -9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.023 11.624 -10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.608 10.250 -11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.032 10.259 -10.934 1.00 0.00 H new ATOM 670 N SER A 46 -10.435 5.913 -11.056 1.00 0.00 N ATOM 671 CA SER A 46 -9.053 6.320 -10.693 1.00 0.00 C ATOM 672 C SER A 46 -8.067 5.333 -11.317 1.00 0.00 C ATOM 673 O SER A 46 -7.881 4.236 -10.830 1.00 0.00 O ATOM 674 CB SER A 46 -8.899 6.309 -9.172 1.00 0.00 C ATOM 675 OG SER A 46 -7.516 6.340 -8.841 1.00 0.00 O ATOM 0 H SER A 46 -10.782 5.079 -10.582 1.00 0.00 H new ATOM 0 HA SER A 46 -8.853 7.325 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.409 7.169 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.365 5.417 -8.754 1.00 0.00 H new ATOM 0 HG SER A 46 -7.279 7.231 -8.510 1.00 0.00 H new ATOM 681 N ARG A 47 -7.437 5.710 -12.395 1.00 0.00 N ATOM 682 CA ARG A 47 -6.469 4.786 -13.049 1.00 0.00 C ATOM 683 C ARG A 47 -5.078 5.001 -12.454 1.00 0.00 C ATOM 684 O ARG A 47 -4.074 4.748 -13.088 1.00 0.00 O ATOM 685 CB ARG A 47 -6.429 5.065 -14.553 1.00 0.00 C ATOM 686 CG ARG A 47 -7.009 3.867 -15.306 1.00 0.00 C ATOM 687 CD ARG A 47 -6.971 4.144 -16.810 1.00 0.00 C ATOM 688 NE ARG A 47 -6.135 3.110 -17.484 1.00 0.00 N ATOM 689 CZ ARG A 47 -6.349 2.815 -18.738 1.00 0.00 C ATOM 690 NH1 ARG A 47 -6.872 3.704 -19.538 1.00 0.00 N ATOM 691 NH2 ARG A 47 -6.037 1.632 -19.191 1.00 0.00 N ATOM 0 H ARG A 47 -7.550 6.616 -12.850 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.782 3.756 -12.880 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.000 5.964 -14.783 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.403 5.248 -14.873 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.437 2.968 -15.076 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.034 3.684 -14.985 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.982 4.133 -17.218 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.562 5.137 -16.998 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.397 2.633 -16.966 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.114 4.629 -19.184 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.039 3.473 -20.517 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.626 0.938 -18.566 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.204 1.401 -20.170 1.00 0.00 H new ATOM 705 N GLU A 48 -5.012 5.462 -11.234 1.00 0.00 N ATOM 706 CA GLU A 48 -3.687 5.686 -10.595 1.00 0.00 C ATOM 707 C GLU A 48 -3.223 4.383 -9.945 1.00 0.00 C ATOM 708 O GLU A 48 -2.817 4.356 -8.800 1.00 0.00 O ATOM 709 CB GLU A 48 -3.810 6.780 -9.533 1.00 0.00 C ATOM 710 CG GLU A 48 -4.613 7.952 -10.099 1.00 0.00 C ATOM 711 CD GLU A 48 -4.682 9.074 -9.061 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.654 8.765 -7.880 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.762 10.222 -9.464 1.00 0.00 O ATOM 0 H GLU A 48 -5.819 5.693 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.961 5.999 -11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.301 6.385 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.820 7.118 -9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.147 8.317 -11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.619 7.624 -10.362 1.00 0.00 H new ATOM 720 N THR A 49 -3.284 3.302 -10.671 1.00 0.00 N ATOM 721 CA THR A 49 -2.853 1.994 -10.104 1.00 0.00 C ATOM 722 C THR A 49 -1.559 1.546 -10.786 1.00 0.00 C ATOM 723 O THR A 49 -1.485 1.449 -11.995 1.00 0.00 O ATOM 724 CB THR A 49 -3.945 0.944 -10.343 1.00 0.00 C ATOM 725 OG1 THR A 49 -3.706 0.289 -11.581 1.00 0.00 O ATOM 726 CG2 THR A 49 -5.317 1.623 -10.380 1.00 0.00 C ATOM 0 H THR A 49 -3.615 3.268 -11.635 1.00 0.00 H new ATOM 0 HA THR A 49 -2.683 2.102 -9.033 1.00 0.00 H new ATOM 0 HB THR A 49 -3.928 0.214 -9.534 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.502 -0.656 -11.417 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.090 0.873 -10.550 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.501 2.124 -9.430 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.339 2.356 -11.187 1.00 0.00 H new ATOM 734 N ARG A 50 -0.538 1.275 -10.022 1.00 0.00 N ATOM 735 CA ARG A 50 0.752 0.835 -10.628 1.00 0.00 C ATOM 736 C ARG A 50 1.683 0.329 -9.525 1.00 0.00 C ATOM 737 O ARG A 50 1.353 0.366 -8.356 1.00 0.00 O ATOM 738 CB ARG A 50 1.407 2.016 -11.346 1.00 0.00 C ATOM 739 CG ARG A 50 1.799 1.596 -12.764 1.00 0.00 C ATOM 740 CD ARG A 50 2.450 2.779 -13.483 1.00 0.00 C ATOM 741 NE ARG A 50 1.396 3.739 -13.916 1.00 0.00 N ATOM 742 CZ ARG A 50 1.145 4.800 -13.200 1.00 0.00 C ATOM 743 NH1 ARG A 50 1.913 5.851 -13.299 1.00 0.00 N ATOM 744 NH2 ARG A 50 0.128 4.811 -12.381 1.00 0.00 N ATOM 0 H ARG A 50 -0.540 1.339 -9.004 1.00 0.00 H new ATOM 0 HA ARG A 50 0.565 0.034 -11.344 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.719 2.860 -11.382 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.288 2.346 -10.796 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.490 0.754 -12.728 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.918 1.263 -13.313 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.159 3.275 -12.820 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.014 2.427 -14.347 1.00 0.00 H new ATOM 0 HE ARG A 50 0.870 3.566 -14.773 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.709 5.843 -13.936 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.717 6.681 -12.739 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.471 3.989 -12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.067 5.641 -11.822 1.00 0.00 H new ATOM 758 N ALA A 51 2.844 -0.147 -9.884 1.00 0.00 N ATOM 759 CA ALA A 51 3.789 -0.653 -8.851 1.00 0.00 C ATOM 760 C ALA A 51 3.895 0.376 -7.718 1.00 0.00 C ATOM 761 O ALA A 51 3.849 1.566 -7.962 1.00 0.00 O ATOM 762 CB ALA A 51 5.163 -0.873 -9.479 1.00 0.00 C ATOM 0 H ALA A 51 3.178 -0.207 -10.846 1.00 0.00 H new ATOM 0 HA ALA A 51 3.424 -1.599 -8.451 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.854 -1.243 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.082 -1.603 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.535 0.070 -9.880 1.00 0.00 H new ATOM 768 N PRO A 52 4.018 -0.113 -6.510 1.00 0.00 N ATOM 769 CA PRO A 52 4.110 0.744 -5.337 1.00 0.00 C ATOM 770 C PRO A 52 5.513 1.346 -5.192 1.00 0.00 C ATOM 771 O PRO A 52 6.499 0.639 -5.116 1.00 0.00 O ATOM 772 CB PRO A 52 3.819 -0.190 -4.170 1.00 0.00 C ATOM 773 CG PRO A 52 4.276 -1.587 -4.694 1.00 0.00 C ATOM 774 CD PRO A 52 4.066 -1.558 -6.237 1.00 0.00 C ATOM 0 HA PRO A 52 3.422 1.587 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.370 0.102 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.761 -0.187 -3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.321 -1.774 -4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.692 -2.385 -4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.882 -2.047 -6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.145 -2.060 -6.533 1.00 0.00 H new ATOM 782 N LEU A 53 5.606 2.647 -5.131 1.00 0.00 N ATOM 783 CA LEU A 53 6.938 3.292 -4.964 1.00 0.00 C ATOM 784 C LEU A 53 7.597 2.732 -3.699 1.00 0.00 C ATOM 785 O LEU A 53 6.952 2.556 -2.686 1.00 0.00 O ATOM 786 CB LEU A 53 6.757 4.807 -4.815 1.00 0.00 C ATOM 787 CG LEU A 53 7.582 5.530 -5.881 1.00 0.00 C ATOM 788 CD1 LEU A 53 7.300 7.028 -5.826 1.00 0.00 C ATOM 789 CD2 LEU A 53 9.072 5.290 -5.627 1.00 0.00 C ATOM 0 H LEU A 53 4.817 3.290 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 53 7.563 3.088 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.704 5.069 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.071 5.125 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 53 7.309 5.145 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.890 7.538 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.240 7.206 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.567 7.413 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.658 5.806 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.339 5.672 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.281 4.221 -5.671 1.00 0.00 H new ATOM 801 N VAL A 54 8.871 2.451 -3.741 1.00 0.00 N ATOM 802 CA VAL A 54 9.550 1.902 -2.535 1.00 0.00 C ATOM 803 C VAL A 54 9.391 2.882 -1.372 1.00 0.00 C ATOM 804 O VAL A 54 9.416 2.501 -0.219 1.00 0.00 O ATOM 805 CB VAL A 54 11.035 1.700 -2.838 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.647 0.758 -1.802 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.193 1.092 -4.232 1.00 0.00 C ATOM 0 H VAL A 54 9.469 2.578 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 54 9.102 0.946 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 54 11.545 2.663 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.705 0.616 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.536 1.190 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.136 -0.204 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.252 0.948 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.681 0.131 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.759 1.763 -4.973 1.00 0.00 H new ATOM 817 N GLU A 55 9.224 4.143 -1.665 1.00 0.00 N ATOM 818 CA GLU A 55 9.059 5.143 -0.574 1.00 0.00 C ATOM 819 C GLU A 55 7.639 5.053 -0.018 1.00 0.00 C ATOM 820 O GLU A 55 7.417 5.184 1.170 1.00 0.00 O ATOM 821 CB GLU A 55 9.306 6.549 -1.126 1.00 0.00 C ATOM 822 CG GLU A 55 8.408 6.788 -2.340 1.00 0.00 C ATOM 823 CD GLU A 55 8.458 8.266 -2.731 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.448 8.907 -2.420 1.00 0.00 O ATOM 825 OE2 GLU A 55 7.506 8.732 -3.336 1.00 0.00 O ATOM 0 H GLU A 55 9.195 4.523 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 55 9.776 4.938 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.101 7.294 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.353 6.661 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.736 6.169 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.383 6.496 -2.110 1.00 0.00 H new ATOM 832 N GLU A 56 6.673 4.819 -0.865 1.00 0.00 N ATOM 833 CA GLU A 56 5.271 4.710 -0.377 1.00 0.00 C ATOM 834 C GLU A 56 5.104 3.372 0.342 1.00 0.00 C ATOM 835 O GLU A 56 4.226 3.196 1.163 1.00 0.00 O ATOM 836 CB GLU A 56 4.309 4.779 -1.565 1.00 0.00 C ATOM 837 CG GLU A 56 3.661 6.165 -1.619 1.00 0.00 C ATOM 838 CD GLU A 56 4.593 7.136 -2.346 1.00 0.00 C ATOM 839 OE1 GLU A 56 5.412 6.671 -3.122 1.00 0.00 O ATOM 840 OE2 GLU A 56 4.472 8.327 -2.115 1.00 0.00 O ATOM 0 H GLU A 56 6.795 4.699 -1.871 1.00 0.00 H new ATOM 0 HA GLU A 56 5.051 5.529 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.846 4.581 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.542 4.011 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.702 6.110 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.460 6.524 -0.610 1.00 0.00 H new ATOM 847 N LEU A 57 5.952 2.428 0.037 1.00 0.00 N ATOM 848 CA LEU A 57 5.861 1.098 0.697 1.00 0.00 C ATOM 849 C LEU A 57 6.562 1.161 2.053 1.00 0.00 C ATOM 850 O LEU A 57 6.130 0.557 3.015 1.00 0.00 O ATOM 851 CB LEU A 57 6.539 0.050 -0.184 1.00 0.00 C ATOM 852 CG LEU A 57 6.079 -1.349 0.231 1.00 0.00 C ATOM 853 CD1 LEU A 57 4.553 -1.388 0.336 1.00 0.00 C ATOM 854 CD2 LEU A 57 6.533 -2.354 -0.820 1.00 0.00 C ATOM 0 H LEU A 57 6.706 2.523 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 57 4.815 0.827 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.294 0.228 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.622 0.129 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 57 6.512 -1.598 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.234 -2.387 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.221 -0.666 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.115 -1.139 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.209 -3.354 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.095 -2.095 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.620 -2.333 -0.898 1.00 0.00 H new ATOM 866 N TYR A 58 7.638 1.896 2.140 1.00 0.00 N ATOM 867 CA TYR A 58 8.358 2.005 3.438 1.00 0.00 C ATOM 868 C TYR A 58 7.480 2.763 4.433 1.00 0.00 C ATOM 869 O TYR A 58 7.354 2.385 5.580 1.00 0.00 O ATOM 870 CB TYR A 58 9.672 2.763 3.231 1.00 0.00 C ATOM 871 CG TYR A 58 10.635 2.410 4.339 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.585 3.099 5.556 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.579 1.394 4.147 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.479 2.772 6.583 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.472 1.067 5.174 1.00 0.00 C ATOM 876 CZ TYR A 58 12.422 1.756 6.391 1.00 0.00 C ATOM 877 OH TYR A 58 13.304 1.433 7.404 1.00 0.00 O ATOM 0 H TYR A 58 8.048 2.424 1.369 1.00 0.00 H new ATOM 0 HA TYR A 58 8.575 1.009 3.825 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.104 2.507 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.488 3.837 3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.857 3.883 5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.618 0.863 3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.441 3.303 7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.200 0.283 5.027 1.00 0.00 H new ATOM 0 HH TYR A 58 13.891 0.706 7.108 1.00 0.00 H new ATOM 887 N ARG A 59 6.864 3.830 3.998 1.00 0.00 N ATOM 888 CA ARG A 59 5.986 4.609 4.915 1.00 0.00 C ATOM 889 C ARG A 59 4.720 3.800 5.203 1.00 0.00 C ATOM 890 O ARG A 59 4.145 3.886 6.270 1.00 0.00 O ATOM 891 CB ARG A 59 5.604 5.934 4.254 1.00 0.00 C ATOM 892 CG ARG A 59 4.869 6.816 5.265 1.00 0.00 C ATOM 893 CD ARG A 59 3.556 7.306 4.651 1.00 0.00 C ATOM 894 NE ARG A 59 2.553 7.520 5.733 1.00 0.00 N ATOM 895 CZ ARG A 59 2.112 8.722 5.986 1.00 0.00 C ATOM 896 NH1 ARG A 59 1.338 9.326 5.128 1.00 0.00 N ATOM 897 NH2 ARG A 59 2.446 9.318 7.098 1.00 0.00 N ATOM 0 H ARG A 59 6.932 4.195 3.048 1.00 0.00 H new ATOM 0 HA ARG A 59 6.515 4.810 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.498 6.443 3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.970 5.750 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.669 6.254 6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.492 7.666 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.721 8.234 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.183 6.576 3.933 1.00 0.00 H new ATOM 0 HE ARG A 59 2.211 6.727 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.077 8.859 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.993 10.265 5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.051 8.844 7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.102 10.257 7.296 1.00 0.00 H new ATOM 911 N PHE A 60 4.285 3.012 4.258 1.00 0.00 N ATOM 912 CA PHE A 60 3.060 2.194 4.474 1.00 0.00 C ATOM 913 C PHE A 60 3.451 0.854 5.099 1.00 0.00 C ATOM 914 O PHE A 60 2.702 -0.101 5.061 1.00 0.00 O ATOM 915 CB PHE A 60 2.365 1.951 3.134 1.00 0.00 C ATOM 916 CG PHE A 60 1.651 3.209 2.703 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.369 4.398 2.532 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.268 3.187 2.478 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.706 5.566 2.136 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.394 4.354 2.082 1.00 0.00 C ATOM 921 CZ PHE A 60 0.324 5.544 1.911 1.00 0.00 C ATOM 0 H PHE A 60 4.726 2.900 3.345 1.00 0.00 H new ATOM 0 HA PHE A 60 2.380 2.723 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.096 1.659 2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.654 1.129 3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.435 4.415 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.286 2.270 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.260 6.484 2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.460 4.337 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.188 6.445 1.606 1.00 0.00 H new ATOM 931 N ARG A 61 4.620 0.778 5.674 1.00 0.00 N ATOM 932 CA ARG A 61 5.063 -0.498 6.301 1.00 0.00 C ATOM 933 C ARG A 61 4.089 -0.885 7.415 1.00 0.00 C ATOM 934 O ARG A 61 3.735 -2.037 7.571 1.00 0.00 O ATOM 935 CB ARG A 61 6.464 -0.317 6.890 1.00 0.00 C ATOM 936 CG ARG A 61 6.961 -1.653 7.448 1.00 0.00 C ATOM 937 CD ARG A 61 8.001 -2.248 6.498 1.00 0.00 C ATOM 938 NE ARG A 61 9.223 -2.617 7.267 1.00 0.00 N ATOM 939 CZ ARG A 61 10.332 -2.890 6.636 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.388 -3.914 5.829 1.00 0.00 N ATOM 941 NH2 ARG A 61 11.385 -2.140 6.812 1.00 0.00 N ATOM 0 H ARG A 61 5.288 1.546 5.736 1.00 0.00 H new ATOM 0 HA ARG A 61 5.084 -1.285 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.148 0.046 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.444 0.434 7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.397 -1.507 8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.125 -2.343 7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.593 -3.127 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.252 -1.528 5.719 1.00 0.00 H new ATOM 0 HE ARG A 61 9.193 -2.656 8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.565 -4.501 5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.255 -4.128 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.342 -1.340 7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.252 -2.354 6.319 1.00 0.00 H new ATOM 955 N ASP A 62 3.652 0.069 8.192 1.00 0.00 N ATOM 956 CA ASP A 62 2.701 -0.246 9.295 1.00 0.00 C ATOM 957 C ASP A 62 1.436 -0.879 8.710 1.00 0.00 C ATOM 958 O ASP A 62 0.718 -1.593 9.382 1.00 0.00 O ATOM 959 CB ASP A 62 2.333 1.041 10.034 1.00 0.00 C ATOM 960 CG ASP A 62 3.601 1.845 10.323 1.00 0.00 C ATOM 961 OD1 ASP A 62 4.435 1.352 11.065 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.718 2.941 9.799 1.00 0.00 O ATOM 0 H ASP A 62 3.912 1.052 8.110 1.00 0.00 H new ATOM 0 HA ASP A 62 3.168 -0.943 9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.643 1.633 9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.820 0.804 10.966 1.00 0.00 H new ATOM 967 N ARG A 63 1.159 -0.623 7.461 1.00 0.00 N ATOM 968 CA ARG A 63 -0.057 -1.208 6.831 1.00 0.00 C ATOM 969 C ARG A 63 0.354 -2.346 5.893 1.00 0.00 C ATOM 970 O ARG A 63 -0.473 -3.081 5.392 1.00 0.00 O ATOM 971 CB ARG A 63 -0.786 -0.127 6.031 1.00 0.00 C ATOM 972 CG ARG A 63 -2.278 -0.161 6.364 1.00 0.00 C ATOM 973 CD ARG A 63 -3.003 0.931 5.577 1.00 0.00 C ATOM 974 NE ARG A 63 -4.405 1.050 6.068 1.00 0.00 N ATOM 975 CZ ARG A 63 -5.084 -0.021 6.376 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.874 -1.134 5.727 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.970 0.019 7.332 1.00 0.00 N ATOM 0 H ARG A 63 1.723 -0.033 6.849 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.719 -1.595 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.373 0.854 6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.638 -0.288 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.694 -1.138 6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.426 -0.012 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.484 1.883 5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.998 0.692 4.514 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.835 1.970 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.180 -1.166 4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.404 -1.972 5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.133 0.888 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.500 -0.819 7.572 1.00 0.00 H new ATOM 991 N LEU A 64 1.628 -2.495 5.650 1.00 0.00 N ATOM 992 CA LEU A 64 2.096 -3.579 4.746 1.00 0.00 C ATOM 993 C LEU A 64 1.923 -4.938 5.435 1.00 0.00 C ATOM 994 O LEU A 64 2.504 -5.174 6.476 1.00 0.00 O ATOM 995 CB LEU A 64 3.578 -3.361 4.430 1.00 0.00 C ATOM 996 CG LEU A 64 3.842 -3.697 2.963 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.155 -3.052 2.517 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.941 -5.214 2.797 1.00 0.00 C ATOM 0 H LEU A 64 2.366 -1.909 6.041 1.00 0.00 H new ATOM 0 HA LEU A 64 1.512 -3.563 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.855 -2.327 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.194 -3.988 5.074 1.00 0.00 H new ATOM 0 HG LEU A 64 3.024 -3.315 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.342 -3.293 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.087 -1.970 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.973 -3.432 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.129 -5.454 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.759 -5.594 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.006 -5.676 3.113 1.00 0.00 H new ATOM 1010 N PRO A 65 1.138 -5.805 4.833 1.00 0.00 N ATOM 1011 CA PRO A 65 0.900 -7.138 5.374 1.00 0.00 C ATOM 1012 C PRO A 65 2.078 -8.075 5.058 1.00 0.00 C ATOM 1013 O PRO A 65 1.926 -9.279 5.028 1.00 0.00 O ATOM 1014 CB PRO A 65 -0.353 -7.615 4.654 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.308 -6.846 3.295 1.00 0.00 C ATOM 1016 CD PRO A 65 0.425 -5.503 3.583 1.00 0.00 C ATOM 0 HA PRO A 65 0.791 -7.129 6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.344 -8.695 4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.255 -7.379 5.219 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.221 -7.424 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.314 -6.667 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.109 -5.231 2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.273 -4.674 3.702 1.00 0.00 H new ATOM 1024 N GLU A 66 3.246 -7.530 4.815 1.00 0.00 N ATOM 1025 CA GLU A 66 4.437 -8.367 4.499 1.00 0.00 C ATOM 1026 C GLU A 66 4.259 -9.083 3.150 1.00 0.00 C ATOM 1027 O GLU A 66 5.149 -9.762 2.686 1.00 0.00 O ATOM 1028 CB GLU A 66 4.644 -9.385 5.623 1.00 0.00 C ATOM 1029 CG GLU A 66 5.550 -10.524 5.143 1.00 0.00 C ATOM 1030 CD GLU A 66 6.093 -11.288 6.353 1.00 0.00 C ATOM 1031 OE1 GLU A 66 7.002 -10.782 6.988 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.591 -12.366 6.621 1.00 0.00 O ATOM 0 H GLU A 66 3.423 -6.525 4.823 1.00 0.00 H new ATOM 0 HA GLU A 66 5.315 -7.726 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.090 -8.896 6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.682 -9.786 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.991 -11.199 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.374 -10.123 4.553 1.00 0.00 H new ATOM 1039 N LYS A 67 3.140 -8.925 2.494 1.00 0.00 N ATOM 1040 CA LYS A 67 2.954 -9.601 1.176 1.00 0.00 C ATOM 1041 C LYS A 67 3.933 -9.020 0.150 1.00 0.00 C ATOM 1042 O LYS A 67 4.001 -9.469 -0.977 1.00 0.00 O ATOM 1043 CB LYS A 67 1.519 -9.384 0.691 1.00 0.00 C ATOM 1044 CG LYS A 67 0.992 -10.678 0.065 1.00 0.00 C ATOM 1045 CD LYS A 67 -0.497 -10.524 -0.252 1.00 0.00 C ATOM 1046 CE LYS A 67 -1.239 -11.798 0.155 1.00 0.00 C ATOM 1047 NZ LYS A 67 -2.626 -11.453 0.575 1.00 0.00 N ATOM 0 H LYS A 67 2.351 -8.361 2.811 1.00 0.00 H new ATOM 0 HA LYS A 67 3.145 -10.668 1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.883 -9.085 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.489 -8.575 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.547 -10.906 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.144 -11.513 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.906 -9.666 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.635 -10.334 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.264 -12.499 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.713 -12.293 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.131 -12.319 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.592 -10.799 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.126 -10.999 -0.216 1.00 0.00 H new ATOM 1061 N LEU A 68 4.694 -8.028 0.530 1.00 0.00 N ATOM 1062 CA LEU A 68 5.668 -7.421 -0.422 1.00 0.00 C ATOM 1063 C LEU A 68 6.862 -6.875 0.363 1.00 0.00 C ATOM 1064 O LEU A 68 7.523 -5.948 -0.060 1.00 0.00 O ATOM 1065 CB LEU A 68 5.004 -6.268 -1.185 1.00 0.00 C ATOM 1066 CG LEU A 68 3.508 -6.540 -1.355 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.772 -6.197 -0.058 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.963 -5.672 -2.491 1.00 0.00 C ATOM 0 H LEU A 68 4.682 -7.611 1.461 1.00 0.00 H new ATOM 0 HA LEU A 68 5.999 -8.181 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.152 -5.332 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.473 -6.151 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 68 3.355 -7.593 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.707 -6.392 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.161 -6.811 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.923 -5.144 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.897 -5.863 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.118 -4.620 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.485 -5.914 -3.417 1.00 0.00 H new ATOM 1080 N ARG A 69 7.140 -7.439 1.506 1.00 0.00 N ATOM 1081 CA ARG A 69 8.289 -6.950 2.321 1.00 0.00 C ATOM 1082 C ARG A 69 9.495 -6.697 1.414 1.00 0.00 C ATOM 1083 O ARG A 69 10.009 -5.600 1.343 1.00 0.00 O ATOM 1084 CB ARG A 69 8.652 -8.003 3.370 1.00 0.00 C ATOM 1085 CG ARG A 69 9.613 -7.393 4.393 1.00 0.00 C ATOM 1086 CD ARG A 69 8.906 -7.270 5.744 1.00 0.00 C ATOM 1087 NE ARG A 69 9.608 -8.115 6.750 1.00 0.00 N ATOM 1088 CZ ARG A 69 10.904 -8.036 6.877 1.00 0.00 C ATOM 1089 NH1 ARG A 69 11.505 -6.885 6.740 1.00 0.00 N ATOM 1090 NH2 ARG A 69 11.600 -9.108 7.142 1.00 0.00 N ATOM 0 H ARG A 69 6.621 -8.218 1.912 1.00 0.00 H new ATOM 0 HA ARG A 69 8.010 -6.020 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.751 -8.360 3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.114 -8.866 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.502 -8.017 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.947 -6.412 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.898 -6.230 6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.866 -7.583 5.652 1.00 0.00 H new ATOM 0 HE ARG A 69 9.076 -8.755 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.961 -6.047 6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.518 -6.824 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.131 -10.007 7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.613 -9.047 7.241 1.00 0.00 H new ATOM 1104 N TYR A 70 9.951 -7.707 0.727 1.00 0.00 N ATOM 1105 CA TYR A 70 11.128 -7.533 -0.173 1.00 0.00 C ATOM 1106 C TYR A 70 11.009 -6.214 -0.943 1.00 0.00 C ATOM 1107 O TYR A 70 11.965 -5.476 -1.078 1.00 0.00 O ATOM 1108 CB TYR A 70 11.185 -8.696 -1.166 1.00 0.00 C ATOM 1109 CG TYR A 70 9.796 -8.992 -1.678 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.311 -8.326 -2.810 1.00 0.00 C ATOM 1111 CD2 TYR A 70 8.993 -9.934 -1.023 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.024 -8.601 -3.286 1.00 0.00 C ATOM 1113 CE2 TYR A 70 7.705 -10.207 -1.499 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.221 -9.541 -2.631 1.00 0.00 C ATOM 1115 OH TYR A 70 5.951 -9.812 -3.101 1.00 0.00 O ATOM 0 H TYR A 70 9.559 -8.648 0.749 1.00 0.00 H new ATOM 0 HA TYR A 70 12.037 -7.516 0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.844 -8.446 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.602 -9.580 -0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.930 -7.600 -3.316 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.367 -10.450 -0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.650 -8.087 -4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.085 -10.932 -0.993 1.00 0.00 H new ATOM 0 HH TYR A 70 5.312 -9.772 -2.359 1.00 0.00 H new ATOM 1125 N LEU A 71 9.845 -5.916 -1.451 1.00 0.00 N ATOM 1126 CA LEU A 71 9.668 -4.647 -2.214 1.00 0.00 C ATOM 1127 C LEU A 71 9.894 -3.452 -1.285 1.00 0.00 C ATOM 1128 O LEU A 71 10.574 -2.507 -1.631 1.00 0.00 O ATOM 1129 CB LEU A 71 8.247 -4.591 -2.785 1.00 0.00 C ATOM 1130 CG LEU A 71 8.179 -5.413 -4.073 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.715 -5.608 -4.476 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.918 -4.673 -5.189 1.00 0.00 C ATOM 0 H LEU A 71 9.009 -6.495 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 71 10.390 -4.610 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.536 -4.979 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.965 -3.557 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 71 8.645 -6.385 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.665 -6.194 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.186 -6.133 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.250 -4.636 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.870 -5.258 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.451 -3.702 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.960 -4.531 -4.903 1.00 0.00 H new ATOM 1144 N ALA A 72 9.332 -3.485 -0.108 1.00 0.00 N ATOM 1145 CA ALA A 72 9.518 -2.348 0.838 1.00 0.00 C ATOM 1146 C ALA A 72 10.948 -2.363 1.383 1.00 0.00 C ATOM 1147 O ALA A 72 11.385 -1.432 2.030 1.00 0.00 O ATOM 1148 CB ALA A 72 8.530 -2.481 1.998 1.00 0.00 C ATOM 0 H ALA A 72 8.753 -4.249 0.240 1.00 0.00 H new ATOM 0 HA ALA A 72 9.339 -1.409 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.666 -1.649 2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.511 -2.468 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.707 -3.421 2.521 1.00 0.00 H new ATOM 1154 N ASP A 73 11.681 -3.412 1.125 1.00 0.00 N ATOM 1155 CA ASP A 73 13.082 -3.482 1.628 1.00 0.00 C ATOM 1156 C ASP A 73 14.035 -3.002 0.533 1.00 0.00 C ATOM 1157 O ASP A 73 15.182 -2.691 0.786 1.00 0.00 O ATOM 1158 CB ASP A 73 13.419 -4.926 2.004 1.00 0.00 C ATOM 1159 CG ASP A 73 13.307 -5.098 3.521 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.003 -4.122 4.187 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.527 -6.202 3.990 1.00 0.00 O ATOM 0 H ASP A 73 11.371 -4.222 0.589 1.00 0.00 H new ATOM 0 HA ASP A 73 13.187 -2.847 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.740 -5.613 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.428 -5.173 1.673 1.00 0.00 H new ATOM 1166 N ALA A 74 13.568 -2.938 -0.683 1.00 0.00 N ATOM 1167 CA ALA A 74 14.444 -2.478 -1.797 1.00 0.00 C ATOM 1168 C ALA A 74 14.668 -0.967 -1.678 1.00 0.00 C ATOM 1169 O ALA A 74 13.885 -0.275 -1.057 1.00 0.00 O ATOM 1170 CB ALA A 74 13.769 -2.785 -3.134 1.00 0.00 C ATOM 0 H ALA A 74 12.616 -3.185 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 74 15.402 -2.995 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.409 -2.449 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.605 -3.859 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.812 -2.266 -3.186 1.00 0.00 H new ATOM 1176 N PRO A 75 15.732 -0.499 -2.280 1.00 0.00 N ATOM 1177 CA PRO A 75 16.070 0.918 -2.257 1.00 0.00 C ATOM 1178 C PRO A 75 14.855 1.757 -2.663 1.00 0.00 C ATOM 1179 O PRO A 75 13.936 1.270 -3.291 1.00 0.00 O ATOM 1180 CB PRO A 75 17.191 1.058 -3.283 1.00 0.00 C ATOM 1181 CG PRO A 75 17.829 -0.367 -3.323 1.00 0.00 C ATOM 1182 CD PRO A 75 16.667 -1.357 -3.025 1.00 0.00 C ATOM 0 HA PRO A 75 16.372 1.263 -1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.807 1.353 -4.259 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.917 1.814 -2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.275 -0.569 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.623 -0.461 -2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.222 -1.753 -3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.998 -2.212 -2.435 1.00 0.00 H new ATOM 1190 N GLN A 76 14.840 3.014 -2.309 1.00 0.00 N ATOM 1191 CA GLN A 76 13.680 3.874 -2.677 1.00 0.00 C ATOM 1192 C GLN A 76 14.180 5.226 -3.188 1.00 0.00 C ATOM 1193 O GLN A 76 13.594 6.256 -2.925 1.00 0.00 O ATOM 1194 CB GLN A 76 12.794 4.091 -1.448 1.00 0.00 C ATOM 1195 CG GLN A 76 13.602 4.786 -0.352 1.00 0.00 C ATOM 1196 CD GLN A 76 13.411 4.047 0.973 1.00 0.00 C ATOM 1197 OE1 GLN A 76 13.736 2.882 1.083 1.00 0.00 O ATOM 1198 NE2 GLN A 76 12.893 4.679 1.990 1.00 0.00 N ATOM 0 H GLN A 76 15.579 3.481 -1.783 1.00 0.00 H new ATOM 0 HA GLN A 76 13.104 3.383 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.927 4.696 -1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.417 3.135 -1.085 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.658 4.804 -0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.281 5.823 -0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.620 5.657 1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.761 4.195 2.878 1.00 0.00 H new ATOM 1207 N GLN A 77 15.249 5.229 -3.934 1.00 0.00 N ATOM 1208 CA GLN A 77 15.777 6.512 -4.475 1.00 0.00 C ATOM 1209 C GLN A 77 17.221 6.317 -4.946 1.00 0.00 C ATOM 1210 O GLN A 77 17.715 7.055 -5.776 1.00 0.00 O ATOM 1211 CB GLN A 77 15.756 7.598 -3.391 1.00 0.00 C ATOM 1212 CG GLN A 77 16.093 6.989 -2.026 1.00 0.00 C ATOM 1213 CD GLN A 77 14.983 7.325 -1.027 1.00 0.00 C ATOM 1214 OE1 GLN A 77 14.005 7.955 -1.378 1.00 0.00 O ATOM 1215 NE2 GLN A 77 15.094 6.929 0.210 1.00 0.00 N ATOM 0 H GLN A 77 15.780 4.398 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 77 15.147 6.820 -5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.474 8.380 -3.636 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.773 8.068 -3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.201 5.908 -2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.047 7.376 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.915 6.400 0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.360 7.148 0.883 1.00 0.00 H new ATOM 1224 N ASP A 78 17.904 5.340 -4.410 1.00 0.00 N ATOM 1225 CA ASP A 78 19.323 5.097 -4.809 1.00 0.00 C ATOM 1226 C ASP A 78 20.240 6.070 -4.054 1.00 0.00 C ATOM 1227 O ASP A 78 19.792 7.096 -3.579 1.00 0.00 O ATOM 1228 CB ASP A 78 19.484 5.300 -6.318 1.00 0.00 C ATOM 1229 CG ASP A 78 20.231 4.107 -6.913 1.00 0.00 C ATOM 1230 OD1 ASP A 78 20.096 3.020 -6.375 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.932 4.301 -7.892 1.00 0.00 O ATOM 0 H ASP A 78 17.538 4.696 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 78 19.596 4.072 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.506 5.403 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.031 6.222 -6.516 1.00 0.00 H new ATOM 1236 N PRO A 79 21.497 5.712 -3.961 1.00 0.00 N ATOM 1237 CA PRO A 79 22.492 6.524 -3.265 1.00 0.00 C ATOM 1238 C PRO A 79 22.499 7.964 -3.795 1.00 0.00 C ATOM 1239 O PRO A 79 23.042 8.855 -3.174 1.00 0.00 O ATOM 1240 CB PRO A 79 23.822 5.840 -3.569 1.00 0.00 C ATOM 1241 CG PRO A 79 23.412 4.367 -3.873 1.00 0.00 C ATOM 1242 CD PRO A 79 22.012 4.460 -4.541 1.00 0.00 C ATOM 0 HA PRO A 79 22.288 6.593 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.325 6.300 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.507 5.900 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.133 3.887 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.373 3.773 -2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.078 4.507 -5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.382 3.604 -4.297 1.00 0.00 H new ATOM 1250 N GLU A 80 21.911 8.202 -4.936 1.00 0.00 N ATOM 1251 CA GLU A 80 21.901 9.587 -5.488 1.00 0.00 C ATOM 1252 C GLU A 80 20.673 10.338 -4.968 1.00 0.00 C ATOM 1253 O GLU A 80 20.708 11.534 -4.757 1.00 0.00 O ATOM 1254 CB GLU A 80 21.853 9.526 -7.016 1.00 0.00 C ATOM 1255 CG GLU A 80 22.136 10.914 -7.591 1.00 0.00 C ATOM 1256 CD GLU A 80 20.823 11.557 -8.044 1.00 0.00 C ATOM 1257 OE1 GLU A 80 20.114 12.072 -7.195 1.00 0.00 O ATOM 1258 OE2 GLU A 80 20.548 11.521 -9.232 1.00 0.00 O ATOM 0 H GLU A 80 21.439 7.501 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 80 22.804 10.109 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.588 8.811 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.875 9.177 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.619 11.539 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.825 10.837 -8.432 1.00 0.00 H new ATOM 1265 N GLY A 81 19.587 9.646 -4.760 1.00 0.00 N ATOM 1266 CA GLY A 81 18.359 10.320 -4.252 1.00 0.00 C ATOM 1267 C GLY A 81 17.217 10.111 -5.244 1.00 0.00 C ATOM 1268 O GLY A 81 16.071 10.005 -4.859 1.00 0.00 O ATOM 0 H GLY A 81 19.497 8.643 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.086 9.916 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.546 11.385 -4.115 1.00 0.00 H new ATOM 1272 N ASN A 82 17.523 10.051 -6.516 1.00 0.00 N ATOM 1273 CA ASN A 82 16.450 9.841 -7.538 1.00 0.00 C ATOM 1274 C ASN A 82 15.463 8.804 -7.007 1.00 0.00 C ATOM 1275 O ASN A 82 15.688 7.618 -7.127 1.00 0.00 O ATOM 1276 CB ASN A 82 17.048 9.332 -8.860 1.00 0.00 C ATOM 1277 CG ASN A 82 18.461 8.782 -8.635 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.614 7.595 -8.115 1.00 0.00 O flip ATOM 1279 ND2 ASN A 82 19.436 9.440 -8.939 1.00 0.00 N flip ATOM 0 H ASN A 82 18.467 10.138 -6.891 1.00 0.00 H new ATOM 0 HA ASN A 82 15.948 10.791 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.411 8.553 -9.278 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.079 10.143 -9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.318 10.368 -9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 82 20.372 9.064 -8.788 1.00 0.00 H new ATOM 1286 N LYS A 83 14.385 9.249 -6.404 1.00 0.00 N ATOM 1287 CA LYS A 83 13.382 8.302 -5.835 1.00 0.00 C ATOM 1288 C LYS A 83 13.289 7.050 -6.692 1.00 0.00 C ATOM 1289 O LYS A 83 13.495 7.085 -7.886 1.00 0.00 O ATOM 1290 CB LYS A 83 12.021 8.973 -5.768 1.00 0.00 C ATOM 1291 CG LYS A 83 11.942 9.777 -4.475 1.00 0.00 C ATOM 1292 CD LYS A 83 11.941 11.268 -4.802 1.00 0.00 C ATOM 1293 CE LYS A 83 10.648 11.904 -4.289 1.00 0.00 C ATOM 1294 NZ LYS A 83 10.975 13.120 -3.491 1.00 0.00 N ATOM 0 H LYS A 83 14.159 10.236 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 83 13.700 8.020 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.877 9.625 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.228 8.226 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.038 9.514 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.788 9.535 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.803 11.752 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.028 11.415 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.003 12.168 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.098 11.191 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.096 13.553 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.575 12.855 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.483 13.802 -4.090 1.00 0.00 H new ATOM 1308 N THR A 84 12.995 5.942 -6.086 1.00 0.00 N ATOM 1309 CA THR A 84 12.908 4.681 -6.863 1.00 0.00 C ATOM 1310 C THR A 84 11.592 3.974 -6.558 1.00 0.00 C ATOM 1311 O THR A 84 11.251 3.729 -5.416 1.00 0.00 O ATOM 1312 CB THR A 84 14.088 3.787 -6.485 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.226 4.597 -6.233 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.399 2.840 -7.634 1.00 0.00 C ATOM 0 H THR A 84 12.811 5.853 -5.087 1.00 0.00 H new ATOM 0 HA THR A 84 12.943 4.900 -7.930 1.00 0.00 H new ATOM 0 HB THR A 84 13.836 3.212 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.019 4.028 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.241 2.203 -7.363 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.527 2.220 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.653 3.417 -8.523 1.00 0.00 H new ATOM 1322 N MET A 85 10.843 3.651 -7.573 1.00 0.00 N ATOM 1323 CA MET A 85 9.545 2.967 -7.335 1.00 0.00 C ATOM 1324 C MET A 85 9.657 1.489 -7.708 1.00 0.00 C ATOM 1325 O MET A 85 10.646 1.047 -8.254 1.00 0.00 O ATOM 1326 CB MET A 85 8.440 3.651 -8.155 1.00 0.00 C ATOM 1327 CG MET A 85 8.373 3.061 -9.560 1.00 0.00 C ATOM 1328 SD MET A 85 6.955 3.751 -10.442 1.00 0.00 S ATOM 1329 CE MET A 85 6.104 2.180 -10.724 1.00 0.00 C ATOM 0 H MET A 85 11.072 3.830 -8.551 1.00 0.00 H new ATOM 0 HA MET A 85 9.289 3.037 -6.278 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.479 3.526 -7.656 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.633 4.722 -8.213 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.293 3.281 -10.102 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.287 1.976 -9.506 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.114 2.372 -11.139 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.680 1.575 -11.424 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.004 1.645 -9.779 1.00 0.00 H new ATOM 1339 N VAL A 86 8.646 0.720 -7.414 1.00 0.00 N ATOM 1340 CA VAL A 86 8.693 -0.728 -7.748 1.00 0.00 C ATOM 1341 C VAL A 86 8.301 -0.930 -9.213 1.00 0.00 C ATOM 1342 O VAL A 86 7.580 -0.143 -9.789 1.00 0.00 O ATOM 1343 CB VAL A 86 7.714 -1.484 -6.850 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.526 -2.907 -7.379 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.269 -1.539 -5.425 1.00 0.00 C ATOM 0 H VAL A 86 7.790 1.033 -6.957 1.00 0.00 H new ATOM 0 HA VAL A 86 9.703 -1.106 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 86 6.753 -0.969 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.828 -3.444 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.130 -2.869 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.486 -3.423 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.572 -2.078 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.230 -2.053 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.401 -0.525 -5.047 1.00 0.00 H new ATOM 1355 N ARG A 87 8.767 -1.991 -9.813 1.00 0.00 N ATOM 1356 CA ARG A 87 8.420 -2.272 -11.235 1.00 0.00 C ATOM 1357 C ARG A 87 8.185 -3.775 -11.386 1.00 0.00 C ATOM 1358 O ARG A 87 8.175 -4.507 -10.417 1.00 0.00 O ATOM 1359 CB ARG A 87 9.571 -1.851 -12.152 1.00 0.00 C ATOM 1360 CG ARG A 87 10.129 -0.508 -11.687 1.00 0.00 C ATOM 1361 CD ARG A 87 9.195 0.608 -12.150 1.00 0.00 C ATOM 1362 NE ARG A 87 9.995 1.812 -12.511 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.808 2.399 -13.661 1.00 0.00 C ATOM 1364 NH1 ARG A 87 10.083 1.768 -14.768 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.347 3.620 -13.702 1.00 0.00 N ATOM 0 H ARG A 87 9.378 -2.681 -9.375 1.00 0.00 H new ATOM 0 HA ARG A 87 7.526 -1.713 -11.511 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.356 -2.607 -12.138 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.220 -1.774 -13.181 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.221 -0.495 -10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.129 -0.355 -12.094 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.612 0.275 -13.009 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.486 0.854 -11.360 1.00 0.00 H new ATOM 0 HE ARG A 87 10.689 2.177 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.445 0.815 -14.735 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.937 2.227 -15.667 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.133 4.114 -12.835 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.200 4.080 -14.601 1.00 0.00 H new ATOM 1379 N PHE A 88 8.009 -4.249 -12.587 1.00 0.00 N ATOM 1380 CA PHE A 88 7.790 -5.710 -12.774 1.00 0.00 C ATOM 1381 C PHE A 88 8.438 -6.168 -14.081 1.00 0.00 C ATOM 1382 O PHE A 88 8.113 -5.688 -15.148 1.00 0.00 O ATOM 1383 CB PHE A 88 6.294 -6.012 -12.823 1.00 0.00 C ATOM 1384 CG PHE A 88 6.097 -7.500 -12.995 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.436 -8.373 -11.955 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.580 -8.006 -14.194 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.258 -9.752 -12.113 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.401 -9.385 -14.352 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.741 -10.259 -13.311 1.00 0.00 C ATOM 0 H PHE A 88 8.007 -3.693 -13.442 1.00 0.00 H new ATOM 0 HA PHE A 88 8.240 -6.242 -11.936 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.811 -5.672 -11.907 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.828 -5.473 -13.648 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.835 -7.982 -11.031 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.319 -7.332 -14.997 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.520 -10.425 -11.310 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.001 -9.775 -15.276 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.604 -11.323 -13.433 1.00 0.00 H new ATOM 1399 N SER A 89 9.343 -7.102 -14.003 1.00 0.00 N ATOM 1400 CA SER A 89 10.005 -7.601 -15.239 1.00 0.00 C ATOM 1401 C SER A 89 9.327 -8.902 -15.672 1.00 0.00 C ATOM 1402 O SER A 89 9.067 -9.775 -14.867 1.00 0.00 O ATOM 1403 CB SER A 89 11.484 -7.864 -14.958 1.00 0.00 C ATOM 1404 OG SER A 89 12.160 -6.623 -14.805 1.00 0.00 O ATOM 0 H SER A 89 9.653 -7.542 -13.136 1.00 0.00 H new ATOM 0 HA SER A 89 9.919 -6.857 -16.031 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.593 -8.465 -14.055 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.926 -8.434 -15.775 1.00 0.00 H new ATOM 0 HG SER A 89 11.507 -5.914 -14.630 1.00 0.00 H new ATOM 1410 N ARG A 90 9.036 -9.039 -16.936 1.00 0.00 N ATOM 1411 CA ARG A 90 8.373 -10.285 -17.413 1.00 0.00 C ATOM 1412 C ARG A 90 9.441 -11.310 -17.790 1.00 0.00 C ATOM 1413 O ARG A 90 9.163 -12.483 -17.944 1.00 0.00 O ATOM 1414 CB ARG A 90 7.510 -9.970 -18.636 1.00 0.00 C ATOM 1415 CG ARG A 90 7.021 -11.275 -19.266 1.00 0.00 C ATOM 1416 CD ARG A 90 5.812 -10.990 -20.159 1.00 0.00 C ATOM 1417 NE ARG A 90 5.154 -12.276 -20.528 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.136 -12.709 -19.837 1.00 0.00 C ATOM 1419 NH1 ARG A 90 2.965 -12.151 -19.980 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.290 -13.700 -19.001 1.00 0.00 N ATOM 0 H ARG A 90 9.228 -8.344 -17.658 1.00 0.00 H new ATOM 0 HA ARG A 90 7.741 -10.689 -16.622 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.660 -9.353 -18.345 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.086 -9.397 -19.362 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.820 -11.730 -19.852 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.751 -11.988 -18.487 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.106 -10.344 -19.638 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.127 -10.459 -21.057 1.00 0.00 H new ATOM 0 HE ARG A 90 5.500 -12.817 -21.321 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.846 -11.376 -20.632 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.169 -12.490 -19.439 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.206 -14.135 -18.889 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.495 -14.039 -18.460 1.00 0.00 H new ATOM 1434 N LYS A 91 10.664 -10.879 -17.932 1.00 0.00 N ATOM 1435 CA LYS A 91 11.749 -11.832 -18.288 1.00 0.00 C ATOM 1436 C LYS A 91 11.889 -12.868 -17.173 1.00 0.00 C ATOM 1437 O LYS A 91 12.418 -13.944 -17.372 1.00 0.00 O ATOM 1438 CB LYS A 91 13.068 -11.072 -18.446 1.00 0.00 C ATOM 1439 CG LYS A 91 13.160 -10.496 -19.860 1.00 0.00 C ATOM 1440 CD LYS A 91 12.111 -9.396 -20.033 1.00 0.00 C ATOM 1441 CE LYS A 91 12.347 -8.297 -18.996 1.00 0.00 C ATOM 1442 NZ LYS A 91 12.539 -6.992 -19.690 1.00 0.00 N ATOM 0 H LYS A 91 10.957 -9.909 -17.817 1.00 0.00 H new ATOM 0 HA LYS A 91 11.506 -12.330 -19.227 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.128 -10.270 -17.711 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.909 -11.739 -18.259 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.157 -10.093 -20.036 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.001 -11.284 -20.596 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.168 -8.980 -21.039 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.110 -9.812 -19.916 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.499 -8.237 -18.314 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.224 -8.533 -18.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.700 -6.244 -18.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.362 -7.053 -20.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.690 -6.767 -20.247 1.00 0.00 H new ATOM 1456 N THR A 92 11.416 -12.550 -15.997 1.00 0.00 N ATOM 1457 CA THR A 92 11.520 -13.515 -14.867 1.00 0.00 C ATOM 1458 C THR A 92 10.304 -13.362 -13.952 1.00 0.00 C ATOM 1459 O THR A 92 10.280 -13.868 -12.848 1.00 0.00 O ATOM 1460 CB THR A 92 12.794 -13.229 -14.069 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.028 -11.828 -14.041 1.00 0.00 O ATOM 1462 CG2 THR A 92 13.981 -13.932 -14.727 1.00 0.00 C ATOM 0 H THR A 92 10.963 -11.664 -15.772 1.00 0.00 H new ATOM 0 HA THR A 92 11.555 -14.531 -15.260 1.00 0.00 H new ATOM 0 HB THR A 92 12.675 -13.600 -13.051 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.843 -11.643 -13.529 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.887 -13.727 -14.157 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.801 -15.007 -14.748 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.102 -13.564 -15.746 1.00 0.00 H new ATOM 1470 N LYS A 93 9.293 -12.667 -14.400 1.00 0.00 N ATOM 1471 CA LYS A 93 8.083 -12.482 -13.552 1.00 0.00 C ATOM 1472 C LYS A 93 8.513 -12.152 -12.122 1.00 0.00 C ATOM 1473 O LYS A 93 8.197 -12.863 -11.189 1.00 0.00 O ATOM 1474 CB LYS A 93 7.256 -13.769 -13.552 1.00 0.00 C ATOM 1475 CG LYS A 93 7.229 -14.359 -14.964 1.00 0.00 C ATOM 1476 CD LYS A 93 6.123 -15.413 -15.056 1.00 0.00 C ATOM 1477 CE LYS A 93 6.494 -16.620 -14.192 1.00 0.00 C ATOM 1478 NZ LYS A 93 7.343 -17.555 -14.982 1.00 0.00 N ATOM 0 H LYS A 93 9.254 -12.220 -15.316 1.00 0.00 H new ATOM 0 HA LYS A 93 7.481 -11.666 -13.950 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.684 -14.489 -12.854 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.241 -13.561 -13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.056 -13.570 -15.696 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.194 -14.807 -15.201 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.175 -14.991 -14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.986 -15.722 -16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.028 -16.292 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.592 -17.129 -13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.595 -18.375 -14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.818 -17.877 -15.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.210 -17.066 -15.284 1.00 0.00 H new ATOM 1492 N GLN A 94 9.235 -11.079 -11.940 1.00 0.00 N ATOM 1493 CA GLN A 94 9.686 -10.711 -10.568 1.00 0.00 C ATOM 1494 C GLN A 94 9.476 -9.212 -10.339 1.00 0.00 C ATOM 1495 O GLN A 94 8.873 -8.530 -11.144 1.00 0.00 O ATOM 1496 CB GLN A 94 11.171 -11.047 -10.412 1.00 0.00 C ATOM 1497 CG GLN A 94 11.344 -12.562 -10.293 1.00 0.00 C ATOM 1498 CD GLN A 94 12.768 -12.949 -10.700 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.025 -14.085 -11.046 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.712 -12.047 -10.671 1.00 0.00 N ATOM 0 H GLN A 94 9.531 -10.443 -12.681 1.00 0.00 H new ATOM 0 HA GLN A 94 9.105 -11.272 -9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.731 -10.673 -11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.575 -10.554 -9.528 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.148 -12.881 -9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.621 -13.072 -10.930 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.497 -11.093 -10.381 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.664 -12.296 -10.939 1.00 0.00 H new ATOM 1509 N GLN A 95 9.968 -8.696 -9.245 1.00 0.00 N ATOM 1510 CA GLN A 95 9.795 -7.243 -8.963 1.00 0.00 C ATOM 1511 C GLN A 95 11.149 -6.534 -9.041 1.00 0.00 C ATOM 1512 O GLN A 95 12.131 -6.981 -8.480 1.00 0.00 O ATOM 1513 CB GLN A 95 9.207 -7.056 -7.561 1.00 0.00 C ATOM 1514 CG GLN A 95 7.858 -6.343 -7.663 1.00 0.00 C ATOM 1515 CD GLN A 95 6.908 -7.170 -8.531 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.256 -8.242 -8.983 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.714 -6.712 -8.786 1.00 0.00 N ATOM 0 H GLN A 95 10.482 -9.218 -8.535 1.00 0.00 H new ATOM 0 HA GLN A 95 9.119 -6.816 -9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.083 -8.024 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.891 -6.475 -6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.432 -6.204 -6.669 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.991 -5.351 -8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.421 -5.812 -8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.073 -7.254 -9.365 1.00 0.00 H new ATOM 1526 N TYR A 96 11.204 -5.427 -9.728 1.00 0.00 N ATOM 1527 CA TYR A 96 12.484 -4.673 -9.840 1.00 0.00 C ATOM 1528 C TYR A 96 12.186 -3.179 -9.689 1.00 0.00 C ATOM 1529 O TYR A 96 11.281 -2.659 -10.300 1.00 0.00 O ATOM 1530 CB TYR A 96 13.128 -4.955 -11.206 1.00 0.00 C ATOM 1531 CG TYR A 96 12.452 -4.140 -12.285 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.807 -2.799 -12.474 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.477 -4.727 -13.100 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.187 -2.046 -13.479 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.856 -3.974 -14.104 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.212 -2.633 -14.293 1.00 0.00 C ATOM 1537 OH TYR A 96 10.602 -1.890 -15.284 1.00 0.00 O ATOM 0 H TYR A 96 10.413 -5.010 -10.219 1.00 0.00 H new ATOM 0 HA TYR A 96 13.177 -4.986 -9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.190 -4.714 -11.171 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.049 -6.017 -11.440 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.559 -2.345 -11.845 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.203 -5.762 -12.954 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.462 -1.012 -13.626 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.103 -4.427 -14.732 1.00 0.00 H new ATOM 0 HH TYR A 96 9.951 -2.448 -15.758 1.00 0.00 H new ATOM 1547 N VAL A 97 12.927 -2.483 -8.875 1.00 0.00 N ATOM 1548 CA VAL A 97 12.654 -1.026 -8.695 1.00 0.00 C ATOM 1549 C VAL A 97 13.440 -0.225 -9.727 1.00 0.00 C ATOM 1550 O VAL A 97 14.351 -0.725 -10.351 1.00 0.00 O ATOM 1551 CB VAL A 97 13.079 -0.582 -7.293 1.00 0.00 C ATOM 1552 CG1 VAL A 97 11.997 -0.961 -6.287 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.390 -1.272 -6.913 1.00 0.00 C ATOM 0 H VAL A 97 13.705 -2.854 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 97 11.586 -0.851 -8.825 1.00 0.00 H new ATOM 0 HB VAL A 97 13.221 0.499 -7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.301 -0.644 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.062 -0.468 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.854 -2.041 -6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.692 -0.955 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.249 -2.353 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.165 -1.000 -7.630 1.00 0.00 H new ATOM 1563 N SER A 98 13.092 1.015 -9.913 1.00 0.00 N ATOM 1564 CA SER A 98 13.817 1.858 -10.900 1.00 0.00 C ATOM 1565 C SER A 98 13.742 3.323 -10.458 1.00 0.00 C ATOM 1566 O SER A 98 12.671 3.860 -10.250 1.00 0.00 O ATOM 1567 CB SER A 98 13.173 1.696 -12.276 1.00 0.00 C ATOM 1568 OG SER A 98 14.035 0.937 -13.112 1.00 0.00 O ATOM 0 H SER A 98 12.332 1.484 -9.421 1.00 0.00 H new ATOM 0 HA SER A 98 14.861 1.549 -10.956 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.208 1.198 -12.182 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.986 2.674 -12.720 1.00 0.00 H new ATOM 0 HG SER A 98 14.839 1.460 -13.313 1.00 0.00 H new ATOM 1574 N SER A 99 14.864 3.976 -10.308 1.00 0.00 N ATOM 1575 CA SER A 99 14.833 5.403 -9.878 1.00 0.00 C ATOM 1576 C SER A 99 14.102 6.226 -10.942 1.00 0.00 C ATOM 1577 O SER A 99 13.831 5.753 -12.027 1.00 0.00 O ATOM 1578 CB SER A 99 16.260 5.932 -9.708 1.00 0.00 C ATOM 1579 OG SER A 99 16.589 6.775 -10.804 1.00 0.00 O ATOM 0 H SER A 99 15.794 3.586 -10.463 1.00 0.00 H new ATOM 0 HA SER A 99 14.313 5.484 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.345 6.485 -8.772 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.963 5.101 -9.652 1.00 0.00 H new ATOM 0 HG SER A 99 17.326 6.377 -11.313 1.00 0.00 H new ATOM 1585 N GLU A 100 13.780 7.454 -10.643 1.00 0.00 N ATOM 1586 CA GLU A 100 13.070 8.302 -11.642 1.00 0.00 C ATOM 1587 C GLU A 100 13.449 9.768 -11.423 1.00 0.00 C ATOM 1588 O GLU A 100 13.459 10.257 -10.311 1.00 0.00 O ATOM 1589 CB GLU A 100 11.558 8.134 -11.474 1.00 0.00 C ATOM 1590 CG GLU A 100 10.988 7.402 -12.690 1.00 0.00 C ATOM 1591 CD GLU A 100 9.511 7.080 -12.448 1.00 0.00 C ATOM 1592 OE1 GLU A 100 9.051 7.307 -11.341 1.00 0.00 O ATOM 1593 OE2 GLU A 100 8.867 6.613 -13.372 1.00 0.00 O ATOM 0 H GLU A 100 13.978 7.907 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 100 13.358 7.997 -12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.343 7.573 -10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.083 9.109 -11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.095 8.019 -13.582 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.547 6.483 -12.869 1.00 0.00 H new ATOM 1600 N LYS A 101 13.762 10.473 -12.475 1.00 0.00 N ATOM 1601 CA LYS A 101 14.140 11.905 -12.325 1.00 0.00 C ATOM 1602 C LYS A 101 13.187 12.783 -13.136 1.00 0.00 C ATOM 1603 O LYS A 101 13.327 12.925 -14.335 1.00 0.00 O ATOM 1604 CB LYS A 101 15.563 12.110 -12.813 1.00 0.00 C ATOM 1605 CG LYS A 101 16.384 12.623 -11.639 1.00 0.00 C ATOM 1606 CD LYS A 101 17.333 13.712 -12.121 1.00 0.00 C ATOM 1607 CE LYS A 101 18.772 13.193 -12.087 1.00 0.00 C ATOM 1608 NZ LYS A 101 19.693 14.252 -12.591 1.00 0.00 N ATOM 0 H LYS A 101 13.772 10.119 -13.431 1.00 0.00 H new ATOM 0 HA LYS A 101 14.074 12.184 -11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.977 11.175 -13.190 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.586 12.823 -13.637 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.725 13.016 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.949 11.805 -11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 101 17.069 14.015 -13.134 1.00 0.00 H new ATOM 0 HD3 LYS A 101 17.240 14.595 -11.489 1.00 0.00 H new ATOM 0 HE2 LYS A 101 19.045 12.912 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.861 12.296 -12.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 20.672 13.901 -12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.436 14.499 -13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 19.614 15.096 -11.988 1.00 0.00 H new ATOM 1622 N ASP A 102 12.218 13.373 -12.494 1.00 0.00 N ATOM 1623 CA ASP A 102 11.257 14.241 -13.231 1.00 0.00 C ATOM 1624 C ASP A 102 10.357 13.371 -14.111 1.00 0.00 C ATOM 1625 O ASP A 102 9.586 13.868 -14.908 1.00 0.00 O ATOM 1626 CB ASP A 102 12.030 15.226 -14.110 1.00 0.00 C ATOM 1627 CG ASP A 102 11.254 16.542 -14.207 1.00 0.00 C ATOM 1628 OD1 ASP A 102 10.373 16.748 -13.389 1.00 0.00 O ATOM 1629 OD2 ASP A 102 11.554 17.319 -15.099 1.00 0.00 O ATOM 0 H ASP A 102 12.050 13.292 -11.491 1.00 0.00 H new ATOM 0 HA ASP A 102 10.645 14.793 -12.518 1.00 0.00 H new ATOM 0 HB2 ASP A 102 13.020 15.405 -13.690 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.177 14.804 -15.104 1.00 0.00 H new ATOM 1634 N GLY A 103 10.446 12.076 -13.972 1.00 0.00 N ATOM 1635 CA GLY A 103 9.595 11.178 -14.801 1.00 0.00 C ATOM 1636 C GLY A 103 10.365 10.755 -16.052 1.00 0.00 C ATOM 1637 O GLY A 103 9.837 10.750 -17.146 1.00 0.00 O ATOM 0 H GLY A 103 11.071 11.602 -13.320 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.306 10.299 -14.224 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.675 11.690 -15.083 1.00 0.00 H new ATOM 1641 N LYS A 104 11.613 10.401 -15.901 1.00 0.00 N ATOM 1642 CA LYS A 104 12.415 9.979 -17.084 1.00 0.00 C ATOM 1643 C LYS A 104 13.032 8.602 -16.825 1.00 0.00 C ATOM 1644 O LYS A 104 13.729 8.062 -17.662 1.00 0.00 O ATOM 1645 CB LYS A 104 13.529 10.999 -17.334 1.00 0.00 C ATOM 1646 CG LYS A 104 14.473 11.032 -16.130 1.00 0.00 C ATOM 1647 CD LYS A 104 15.384 12.257 -16.229 1.00 0.00 C ATOM 1648 CE LYS A 104 16.844 11.818 -16.104 1.00 0.00 C ATOM 1649 NZ LYS A 104 17.622 12.341 -17.262 1.00 0.00 N ATOM 0 H LYS A 104 12.111 10.386 -15.011 1.00 0.00 H new ATOM 0 HA LYS A 104 11.767 9.924 -17.959 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.082 10.735 -18.236 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.101 11.987 -17.500 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.898 11.067 -15.205 1.00 0.00 H new ATOM 0 HG3 LYS A 104 15.072 10.122 -16.099 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.226 12.765 -17.180 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.139 12.970 -15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.268 12.189 -15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.906 10.730 -16.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.615 12.042 -17.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.223 11.967 -18.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.573 13.380 -17.273 1.00 0.00 H new ATOM 1663 N ALA A 105 12.780 8.033 -15.672 1.00 0.00 N ATOM 1664 CA ALA A 105 13.345 6.687 -15.346 1.00 0.00 C ATOM 1665 C ALA A 105 14.781 6.831 -14.831 1.00 0.00 C ATOM 1666 O ALA A 105 15.169 6.184 -13.882 1.00 0.00 O ATOM 1667 CB ALA A 105 13.336 5.801 -16.594 1.00 0.00 C ATOM 0 H ALA A 105 12.204 8.446 -14.938 1.00 0.00 H new ATOM 0 HA ALA A 105 12.731 6.226 -14.572 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.749 4.823 -16.349 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.312 5.684 -16.950 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.940 6.265 -17.374 1.00 0.00 H new ATOM 1673 N THR A 106 15.568 7.677 -15.447 1.00 0.00 N ATOM 1674 CA THR A 106 16.984 7.879 -15.007 1.00 0.00 C ATOM 1675 C THR A 106 17.878 6.765 -15.565 1.00 0.00 C ATOM 1676 O THR A 106 18.997 7.006 -15.973 1.00 0.00 O ATOM 1677 CB THR A 106 17.081 7.883 -13.477 1.00 0.00 C ATOM 1678 OG1 THR A 106 17.258 6.554 -13.009 1.00 0.00 O ATOM 1679 CG2 THR A 106 15.812 8.485 -12.868 1.00 0.00 C ATOM 0 H THR A 106 15.286 8.244 -16.247 1.00 0.00 H new ATOM 0 HA THR A 106 17.321 8.843 -15.389 1.00 0.00 H new ATOM 0 HB THR A 106 17.935 8.490 -13.176 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.386 6.169 -12.779 1.00 0.00 H new ATOM 0 HG21 THR A 106 15.893 8.482 -11.781 1.00 0.00 H new ATOM 0 HG22 THR A 106 15.690 9.509 -13.220 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.948 7.893 -13.169 1.00 0.00 H new ATOM 1687 N GLY A 107 17.406 5.548 -15.581 1.00 0.00 N ATOM 1688 CA GLY A 107 18.241 4.431 -16.103 1.00 0.00 C ATOM 1689 C GLY A 107 18.584 3.478 -14.957 1.00 0.00 C ATOM 1690 O GLY A 107 19.255 2.482 -15.143 1.00 0.00 O ATOM 0 H GLY A 107 16.478 5.280 -15.255 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.705 3.897 -16.887 1.00 0.00 H new ATOM 0 HA3 GLY A 107 19.154 4.823 -16.551 1.00 0.00 H new ATOM 1694 N TRP A 108 18.127 3.774 -13.769 1.00 0.00 N ATOM 1695 CA TRP A 108 18.423 2.886 -12.610 1.00 0.00 C ATOM 1696 C TRP A 108 17.331 1.823 -12.496 1.00 0.00 C ATOM 1697 O TRP A 108 16.156 2.113 -12.597 1.00 0.00 O ATOM 1698 CB TRP A 108 18.453 3.719 -11.327 1.00 0.00 C ATOM 1699 CG TRP A 108 19.118 2.941 -10.236 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.450 2.926 -10.001 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.517 2.071 -9.227 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.707 2.107 -8.919 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.550 1.556 -8.408 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.192 1.678 -8.944 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.283 0.690 -7.348 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 16.922 0.804 -7.878 1.00 0.00 C ATOM 1707 CH2 TRP A 108 17.967 0.313 -7.082 1.00 0.00 C ATOM 0 H TRP A 108 17.561 4.594 -13.552 1.00 0.00 H new ATOM 0 HA TRP A 108 19.390 2.405 -12.756 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.989 4.652 -11.500 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.438 3.985 -11.031 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.193 3.467 -10.568 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.639 1.931 -8.543 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.380 2.051 -9.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.090 0.314 -6.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 15.904 0.509 -7.670 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.753 -0.357 -6.263 1.00 0.00 H new ATOM 1718 N SER A 109 17.709 0.595 -12.286 1.00 0.00 N ATOM 1719 CA SER A 109 16.690 -0.482 -12.165 1.00 0.00 C ATOM 1720 C SER A 109 17.260 -1.632 -11.329 1.00 0.00 C ATOM 1721 O SER A 109 18.037 -2.433 -11.810 1.00 0.00 O ATOM 1722 CB SER A 109 16.326 -0.996 -13.557 1.00 0.00 C ATOM 1723 OG SER A 109 17.297 -1.945 -13.977 1.00 0.00 O ATOM 0 H SER A 109 18.678 0.290 -12.193 1.00 0.00 H new ATOM 0 HA SER A 109 15.798 -0.087 -11.679 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.337 -1.454 -13.541 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.282 -0.167 -14.263 1.00 0.00 H new ATOM 0 HG SER A 109 18.030 -1.973 -13.327 1.00 0.00 H new ATOM 1729 N ALA A 110 16.886 -1.722 -10.080 1.00 0.00 N ATOM 1730 CA ALA A 110 17.414 -2.821 -9.224 1.00 0.00 C ATOM 1731 C ALA A 110 16.506 -4.044 -9.347 1.00 0.00 C ATOM 1732 O ALA A 110 15.325 -3.928 -9.604 1.00 0.00 O ATOM 1733 CB ALA A 110 17.456 -2.360 -7.766 1.00 0.00 C ATOM 0 H ALA A 110 16.239 -1.083 -9.618 1.00 0.00 H new ATOM 0 HA ALA A 110 18.421 -3.082 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.842 -3.165 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.105 -1.489 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.450 -2.097 -7.438 1.00 0.00 H new ATOM 1739 N PHE A 111 17.051 -5.217 -9.172 1.00 0.00 N ATOM 1740 CA PHE A 111 16.218 -6.449 -9.292 1.00 0.00 C ATOM 1741 C PHE A 111 16.234 -7.227 -7.980 1.00 0.00 C ATOM 1742 O PHE A 111 17.247 -7.341 -7.329 1.00 0.00 O ATOM 1743 CB PHE A 111 16.781 -7.339 -10.404 1.00 0.00 C ATOM 1744 CG PHE A 111 16.809 -6.579 -11.705 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.897 -5.753 -12.007 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.750 -6.705 -12.612 1.00 0.00 C ATOM 1747 CE1 PHE A 111 17.928 -5.052 -13.216 1.00 0.00 C ATOM 1748 CE2 PHE A 111 15.781 -6.002 -13.821 1.00 0.00 C ATOM 1749 CZ PHE A 111 16.870 -5.177 -14.123 1.00 0.00 C ATOM 0 H PHE A 111 18.034 -5.376 -8.952 1.00 0.00 H new ATOM 0 HA PHE A 111 15.194 -6.159 -9.527 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.787 -7.669 -10.144 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.169 -8.235 -10.509 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.713 -5.657 -11.306 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.911 -7.344 -12.379 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.768 -4.414 -13.450 1.00 0.00 H new ATOM 0 HE2 PHE A 111 14.964 -6.096 -14.521 1.00 0.00 H new ATOM 0 HZ PHE A 111 16.894 -4.636 -15.057 1.00 0.00 H new ATOM 1759 N TYR A 112 15.121 -7.780 -7.591 1.00 0.00 N ATOM 1760 CA TYR A 112 15.092 -8.562 -6.326 1.00 0.00 C ATOM 1761 C TYR A 112 15.416 -10.024 -6.630 1.00 0.00 C ATOM 1762 O TYR A 112 14.591 -10.758 -7.135 1.00 0.00 O ATOM 1763 CB TYR A 112 13.704 -8.472 -5.692 1.00 0.00 C ATOM 1764 CG TYR A 112 13.776 -8.961 -4.267 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.726 -8.423 -3.391 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.894 -9.952 -3.821 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.795 -8.876 -2.068 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.963 -10.406 -2.498 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.913 -9.867 -1.622 1.00 0.00 C ATOM 1770 OH TYR A 112 13.981 -10.313 -0.318 1.00 0.00 O ATOM 0 H TYR A 112 14.234 -7.725 -8.092 1.00 0.00 H new ATOM 0 HA TYR A 112 15.830 -8.156 -5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.345 -7.443 -5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.993 -9.072 -6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.406 -7.658 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.161 -10.366 -4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.528 -8.461 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.284 -11.172 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 112 13.299 -11.001 -0.172 1.00 0.00 H new ATOM 1780 N VAL A 113 16.607 -10.457 -6.320 1.00 0.00 N ATOM 1781 CA VAL A 113 16.971 -11.869 -6.584 1.00 0.00 C ATOM 1782 C VAL A 113 16.630 -12.685 -5.339 1.00 0.00 C ATOM 1783 O VAL A 113 15.676 -12.395 -4.654 1.00 0.00 O ATOM 1784 CB VAL A 113 18.469 -11.966 -6.898 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.738 -13.234 -7.710 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.903 -10.748 -7.721 1.00 0.00 C ATOM 0 H VAL A 113 17.341 -9.890 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 113 16.419 -12.255 -7.441 1.00 0.00 H new ATOM 0 HB VAL A 113 19.029 -11.997 -5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.803 -13.304 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.430 -14.107 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.173 -13.196 -8.642 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.968 -10.819 -7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.339 -10.719 -8.653 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.711 -9.838 -7.153 1.00 0.00 H new ATOM 1796 N ASP A 114 17.411 -13.671 -5.011 1.00 0.00 N ATOM 1797 CA ASP A 114 17.117 -14.469 -3.785 1.00 0.00 C ATOM 1798 C ASP A 114 17.370 -13.554 -2.608 1.00 0.00 C ATOM 1799 O ASP A 114 18.467 -13.495 -2.088 1.00 0.00 O ATOM 1800 CB ASP A 114 18.046 -15.683 -3.714 1.00 0.00 C ATOM 1801 CG ASP A 114 17.213 -16.966 -3.718 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.088 -16.918 -4.186 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.715 -17.976 -3.251 1.00 0.00 O ATOM 0 H ASP A 114 18.238 -13.961 -5.533 1.00 0.00 H new ATOM 0 HA ASP A 114 16.090 -14.835 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.731 -15.679 -4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.655 -15.635 -2.811 1.00 0.00 H new ATOM 1808 N GLY A 115 16.393 -12.774 -2.224 1.00 0.00 N ATOM 1809 CA GLY A 115 16.641 -11.803 -1.135 1.00 0.00 C ATOM 1810 C GLY A 115 17.922 -11.073 -1.528 1.00 0.00 C ATOM 1811 O GLY A 115 18.682 -10.615 -0.699 1.00 0.00 O ATOM 0 H GLY A 115 15.451 -12.771 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.808 -11.107 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.755 -12.309 -0.176 1.00 0.00 H new ATOM 1815 N LYS A 116 18.180 -11.017 -2.819 1.00 0.00 N ATOM 1816 CA LYS A 116 19.433 -10.377 -3.301 1.00 0.00 C ATOM 1817 C LYS A 116 19.135 -9.233 -4.268 1.00 0.00 C ATOM 1818 O LYS A 116 19.272 -9.380 -5.466 1.00 0.00 O ATOM 1819 CB LYS A 116 20.278 -11.424 -4.028 1.00 0.00 C ATOM 1820 CG LYS A 116 21.461 -11.834 -3.150 1.00 0.00 C ATOM 1821 CD LYS A 116 22.268 -10.595 -2.756 1.00 0.00 C ATOM 1822 CE LYS A 116 23.656 -11.022 -2.274 1.00 0.00 C ATOM 1823 NZ LYS A 116 23.670 -11.076 -0.785 1.00 0.00 N ATOM 0 H LYS A 116 17.573 -11.388 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 116 19.966 -9.975 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.669 -12.296 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.638 -11.021 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.103 -12.345 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.097 -12.538 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 116 22.359 -9.921 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.751 -10.046 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.911 -11.998 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 116 24.409 -10.319 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 24.613 -11.366 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.444 -10.136 -0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.962 -11.763 -0.456 1.00 0.00 H new ATOM 1837 N TRP A 117 18.751 -8.088 -3.776 1.00 0.00 N ATOM 1838 CA TRP A 117 18.479 -6.959 -4.705 1.00 0.00 C ATOM 1839 C TRP A 117 19.725 -6.710 -5.562 1.00 0.00 C ATOM 1840 O TRP A 117 20.827 -7.057 -5.186 1.00 0.00 O ATOM 1841 CB TRP A 117 18.148 -5.698 -3.910 1.00 0.00 C ATOM 1842 CG TRP A 117 16.687 -5.678 -3.604 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.156 -5.862 -2.375 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.563 -5.469 -4.512 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.780 -5.780 -2.466 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.365 -5.538 -3.761 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.461 -5.230 -5.899 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.114 -5.373 -4.360 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.207 -5.064 -6.499 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.036 -5.134 -5.734 1.00 0.00 C ATOM 0 H TRP A 117 18.616 -7.888 -2.785 1.00 0.00 H new ATOM 0 HA TRP A 117 17.631 -7.208 -5.343 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.725 -5.675 -2.986 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.424 -4.811 -4.481 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.716 -6.044 -1.470 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.147 -5.885 -1.673 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.356 -5.175 -6.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.214 -5.430 -3.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.142 -4.880 -7.561 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.073 -5.003 -6.206 1.00 0.00 H new ATOM 1861 N VAL A 118 19.559 -6.111 -6.707 1.00 0.00 N ATOM 1862 CA VAL A 118 20.731 -5.835 -7.590 1.00 0.00 C ATOM 1863 C VAL A 118 20.514 -4.492 -8.281 1.00 0.00 C ATOM 1864 O VAL A 118 19.561 -3.797 -8.001 1.00 0.00 O ATOM 1865 CB VAL A 118 20.874 -6.934 -8.655 1.00 0.00 C ATOM 1866 CG1 VAL A 118 22.077 -7.813 -8.331 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.618 -7.804 -8.684 1.00 0.00 C ATOM 0 H VAL A 118 18.660 -5.799 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 118 21.639 -5.814 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 118 21.012 -6.461 -9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.174 -8.590 -9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.980 -7.203 -8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.938 -8.275 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.730 -8.579 -9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.474 -8.268 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.753 -7.186 -8.922 1.00 0.00 H new ATOM 1877 N GLU A 119 21.382 -4.119 -9.182 1.00 0.00 N ATOM 1878 CA GLU A 119 21.206 -2.817 -9.884 1.00 0.00 C ATOM 1879 C GLU A 119 21.871 -2.879 -11.261 1.00 0.00 C ATOM 1880 O GLU A 119 23.064 -3.078 -11.378 1.00 0.00 O ATOM 1881 CB GLU A 119 21.840 -1.697 -9.054 1.00 0.00 C ATOM 1882 CG GLU A 119 23.364 -1.778 -9.158 1.00 0.00 C ATOM 1883 CD GLU A 119 23.990 -1.359 -7.826 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.295 -0.741 -7.037 1.00 0.00 O ATOM 1885 OE2 GLU A 119 25.153 -1.664 -7.618 1.00 0.00 O ATOM 0 H GLU A 119 22.202 -4.658 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 119 20.142 -2.615 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 119 21.493 -0.727 -9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 119 21.532 -1.784 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.668 -2.794 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.719 -1.130 -9.959 1.00 0.00 H new ATOM 1892 N GLY A 120 21.106 -2.713 -12.304 1.00 0.00 N ATOM 1893 CA GLY A 120 21.692 -2.761 -13.673 1.00 0.00 C ATOM 1894 C GLY A 120 21.879 -1.338 -14.198 1.00 0.00 C ATOM 1895 O GLY A 120 21.618 -0.372 -13.507 1.00 0.00 O ATOM 0 H GLY A 120 20.100 -2.546 -12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.650 -3.281 -13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.039 -3.323 -14.340 1.00 0.00 H new