USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 948 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 129 MET CE :methyl -159:sc= -0.0796 (180deg=-0.494) USER MOD Set 1.2: A 133 ASN : amide:sc= -0.568 X(o=-0.65,f=-0.63) USER MOD Set 2.1: A 104 MET CE :methyl 160:sc= -0.354 (180deg=-0.867) USER MOD Set 2.2: A 131 GLN : amide:sc= -0.397 K(o=-0.75,f=-2) USER MOD Set 2.3: A 132 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 67 GLN : amide:sc= -0.169 K(o=-1.3,f=-0.73) USER MOD Set 3.2: A 97 MET CE :methyl -155:sc= -1.11 (180deg=-2.41!) USER MOD Set 4.1: A 24 ASN : amide:sc= 0.611 K(o=0.56,f=1.4) USER MOD Set 4.2: A 39 TYR OH : rot 90:sc= 0.061 USER MOD Set 4.3: A 55 ASN : amide:sc= -0.107 K(o=0.56,f=1.4) USER MOD Set 5.1: A 26 CYS SG : rot 61:sc= -1.07! USER MOD Set 5.2: A 38 HIS : no HD1:sc= -2.76! K(o=-3.8!,f=-0.6) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= 0.0664 (180deg=-0.103) USER MOD Single : A 21 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.53) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.14) USER MOD Single : A 36 MET CE :methyl -143:sc= -0.578 (180deg=-1.73) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00401) USER MOD Single : A 40 THR OG1 : rot 32:sc= -0.209 USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -0.0238 (180deg=-0.216) USER MOD Single : A 46 ASN : amide:sc= 0.125 K(o=0.13,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc=-0.00507 (180deg=-0.0768) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -155:sc= 0.26 USER MOD Single : A 54 SER OG : rot 80:sc= -1.18 USER MOD Single : A 59 CYS SG : rot 131:sc= -0.588 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.0602 USER MOD Single : A 61 THR OG1 : rot -51:sc= 0.32 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 44:sc= 1.08! USER MOD Single : A 76 CYS SG : rot -95:sc= -1.99! USER MOD Single : A 78 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.00054) USER MOD Single : A 82 THR OG1 : rot -81:sc= 0.507 USER MOD Single : A 85 LYS NZ :NH3+ 158:sc= -0.0997 (180deg=-0.487) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 76:sc= 0.238 USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0.796 (180deg=0.782) USER MOD Single : A 98 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0061) USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 THR OG1 : rot -171:sc= -0.604 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.032) USER MOD Single : A 109 LYS NZ :NH3+ 148:sc= 1.16 (180deg=0.499) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 88:sc= 0.385 USER MOD Single : A 117 CYS SG : rot -82:sc= -9.47! USER MOD Single : A 118 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00939) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.748 X(o=-0.75,f=-1.2!) USER MOD Single : A 127 CYS SG : rot 84:sc= 1.12 USER MOD Single : A 128 MET CE :methyl -135:sc= -0.158 (180deg=-1.45) USER MOD ----------------------------------------------------------------- ATOM 221 N LEU A 15 9.390 20.816 0.187 1.00 63.43 N ATOM 222 CA LEU A 15 7.914 20.880 0.185 1.00 13.52 C ATOM 223 C LEU A 15 7.312 19.583 -0.387 1.00 63.40 C ATOM 224 O LEU A 15 6.160 19.238 -0.092 1.00 62.33 O ATOM 225 CB LEU A 15 7.391 22.117 -0.592 1.00 2.44 C ATOM 226 CG LEU A 15 7.859 23.524 -0.063 1.00 55.25 C ATOM 227 CD1 LEU A 15 9.285 23.880 -0.530 1.00 52.43 C ATOM 228 CD2 LEU A 15 6.841 24.633 -0.421 1.00 70.42 C ATOM 0 HA LEU A 15 7.592 20.985 1.221 1.00 13.52 H new ATOM 0 HB2 LEU A 15 7.701 22.023 -1.633 1.00 2.44 H new ATOM 0 HB3 LEU A 15 6.301 22.093 -0.580 1.00 2.44 H new ATOM 0 HG LEU A 15 7.897 23.457 1.024 1.00 55.25 H new ATOM 0 HD11 LEU A 15 9.562 24.859 -0.139 1.00 52.43 H new ATOM 0 HD12 LEU A 15 9.986 23.131 -0.162 1.00 52.43 H new ATOM 0 HD13 LEU A 15 9.316 23.902 -1.619 1.00 52.43 H new ATOM 0 HD21 LEU A 15 7.197 25.590 -0.040 1.00 70.42 H new ATOM 0 HD22 LEU A 15 6.732 24.691 -1.504 1.00 70.42 H new ATOM 0 HD23 LEU A 15 5.876 24.400 0.029 1.00 70.42 H new ATOM 240 N ALA A 16 8.130 18.857 -1.177 1.00 2.44 N ATOM 241 CA ALA A 16 7.794 17.518 -1.687 1.00 42.05 C ATOM 242 C ALA A 16 7.564 16.525 -0.526 1.00 62.05 C ATOM 243 O ALA A 16 6.793 15.563 -0.673 1.00 14.13 O ATOM 244 CB ALA A 16 8.895 17.007 -2.635 1.00 42.33 C ATOM 0 H ALA A 16 9.046 19.188 -1.479 1.00 2.44 H new ATOM 0 HA ALA A 16 6.865 17.594 -2.252 1.00 42.05 H new ATOM 0 HB1 ALA A 16 8.628 16.016 -3.002 1.00 42.33 H new ATOM 0 HB2 ALA A 16 8.995 17.691 -3.478 1.00 42.33 H new ATOM 0 HB3 ALA A 16 9.842 16.952 -2.097 1.00 42.33 H new ATOM 250 N LEU A 17 8.224 16.759 0.642 1.00 52.40 N ATOM 251 CA LEU A 17 7.993 15.933 1.846 1.00 44.41 C ATOM 252 C LEU A 17 6.756 16.445 2.610 1.00 72.24 C ATOM 253 O LEU A 17 6.144 15.695 3.368 1.00 52.24 O ATOM 254 CB LEU A 17 9.282 15.828 2.748 1.00 52.15 C ATOM 255 CG LEU A 17 9.548 16.935 3.853 1.00 32.42 C ATOM 256 CD1 LEU A 17 8.762 16.678 5.163 1.00 52.11 C ATOM 257 CD2 LEU A 17 11.060 17.093 4.151 1.00 41.32 C ATOM 0 H LEU A 17 8.910 17.504 0.768 1.00 52.40 H new ATOM 0 HA LEU A 17 7.781 14.911 1.532 1.00 44.41 H new ATOM 0 HB2 LEU A 17 9.251 14.862 3.252 1.00 52.15 H new ATOM 0 HB3 LEU A 17 10.146 15.813 2.084 1.00 52.15 H new ATOM 0 HG LEU A 17 9.178 17.871 3.433 1.00 32.42 H new ATOM 0 HD11 LEU A 17 8.984 17.467 5.881 1.00 52.11 H new ATOM 0 HD12 LEU A 17 7.693 16.671 4.950 1.00 52.11 H new ATOM 0 HD13 LEU A 17 9.055 15.715 5.580 1.00 52.11 H new ATOM 0 HD21 LEU A 17 11.203 17.860 4.912 1.00 41.32 H new ATOM 0 HD22 LEU A 17 11.461 16.145 4.511 1.00 41.32 H new ATOM 0 HD23 LEU A 17 11.582 17.385 3.240 1.00 41.32 H new ATOM 269 N MET A 18 6.371 17.725 2.393 1.00 55.55 N ATOM 270 CA MET A 18 5.239 18.354 3.113 1.00 74.54 C ATOM 271 C MET A 18 3.898 17.965 2.461 1.00 33.23 C ATOM 272 O MET A 18 2.873 17.850 3.143 1.00 10.32 O ATOM 273 CB MET A 18 5.408 19.897 3.131 1.00 61.44 C ATOM 274 CG MET A 18 6.710 20.386 3.791 1.00 60.34 C ATOM 275 SD MET A 18 6.894 19.800 5.491 1.00 23.20 S ATOM 276 CE MET A 18 8.536 20.390 5.915 1.00 4.10 C ATOM 0 H MET A 18 6.829 18.343 1.723 1.00 55.55 H new ATOM 0 HA MET A 18 5.236 17.991 4.141 1.00 74.54 H new ATOM 0 HB2 MET A 18 5.374 20.266 2.106 1.00 61.44 H new ATOM 0 HB3 MET A 18 4.561 20.337 3.657 1.00 61.44 H new ATOM 0 HG2 MET A 18 7.561 20.047 3.200 1.00 60.34 H new ATOM 0 HG3 MET A 18 6.730 21.476 3.783 1.00 60.34 H new ATOM 0 HE1 MET A 18 8.775 20.097 6.937 1.00 4.10 H new ATOM 0 HE2 MET A 18 9.266 19.955 5.233 1.00 4.10 H new ATOM 0 HE3 MET A 18 8.565 21.477 5.833 1.00 4.10 H new ATOM 286 N VAL A 19 3.936 17.732 1.133 1.00 3.12 N ATOM 287 CA VAL A 19 2.741 17.384 0.341 1.00 34.45 C ATOM 288 C VAL A 19 2.315 15.916 0.577 1.00 74.11 C ATOM 289 O VAL A 19 1.126 15.581 0.478 1.00 4.32 O ATOM 290 CB VAL A 19 2.959 17.649 -1.195 1.00 14.42 C ATOM 291 CG1 VAL A 19 4.037 16.723 -1.786 1.00 72.31 C ATOM 292 CG2 VAL A 19 1.630 17.550 -1.987 1.00 64.01 C ATOM 0 H VAL A 19 4.793 17.780 0.582 1.00 3.12 H new ATOM 0 HA VAL A 19 1.937 18.035 0.683 1.00 34.45 H new ATOM 0 HB VAL A 19 3.321 18.672 -1.294 1.00 14.42 H new ATOM 0 HG11 VAL A 19 4.158 16.937 -2.848 1.00 72.31 H new ATOM 0 HG12 VAL A 19 4.983 16.892 -1.272 1.00 72.31 H new ATOM 0 HG13 VAL A 19 3.734 15.684 -1.657 1.00 72.31 H new ATOM 0 HG21 VAL A 19 1.821 17.739 -3.043 1.00 64.01 H new ATOM 0 HG22 VAL A 19 1.209 16.552 -1.867 1.00 64.01 H new ATOM 0 HG23 VAL A 19 0.925 18.289 -1.608 1.00 64.01 H new ATOM 302 N LYS A 20 3.291 15.036 0.889 1.00 2.20 N ATOM 303 CA LYS A 20 2.985 13.628 1.214 1.00 44.42 C ATOM 304 C LYS A 20 2.354 13.541 2.615 1.00 32.44 C ATOM 305 O LYS A 20 1.497 12.692 2.854 1.00 74.43 O ATOM 306 CB LYS A 20 4.241 12.718 1.094 1.00 14.30 C ATOM 307 CG LYS A 20 5.324 12.900 2.189 1.00 11.34 C ATOM 308 CD LYS A 20 6.604 12.055 1.938 1.00 24.51 C ATOM 309 CE LYS A 20 7.334 12.466 0.650 1.00 45.13 C ATOM 310 NZ LYS A 20 8.622 11.753 0.450 1.00 2.12 N ATOM 0 H LYS A 20 4.283 15.272 0.922 1.00 2.20 H new ATOM 0 HA LYS A 20 2.265 13.257 0.484 1.00 44.42 H new ATOM 0 HB2 LYS A 20 3.913 11.678 1.105 1.00 14.30 H new ATOM 0 HB3 LYS A 20 4.702 12.897 0.123 1.00 14.30 H new ATOM 0 HG2 LYS A 20 5.599 13.953 2.246 1.00 11.34 H new ATOM 0 HG3 LYS A 20 4.902 12.627 3.156 1.00 11.34 H new ATOM 0 HD2 LYS A 20 7.280 12.164 2.786 1.00 24.51 H new ATOM 0 HD3 LYS A 20 6.334 11.001 1.879 1.00 24.51 H new ATOM 0 HE2 LYS A 20 6.684 12.274 -0.204 1.00 45.13 H new ATOM 0 HE3 LYS A 20 7.521 13.540 0.674 1.00 45.13 H new ATOM 0 HZ1 LYS A 20 9.165 12.222 -0.303 1.00 2.12 H new ATOM 0 HZ2 LYS A 20 9.169 11.771 1.334 1.00 2.12 H new ATOM 0 HZ3 LYS A 20 8.434 10.767 0.179 1.00 2.12 H new ATOM 324 N ASN A 21 2.763 14.470 3.515 1.00 22.45 N ATOM 325 CA ASN A 21 2.229 14.566 4.893 1.00 34.00 C ATOM 326 C ASN A 21 0.732 14.892 4.865 1.00 45.30 C ATOM 327 O ASN A 21 -0.069 14.220 5.523 1.00 51.33 O ATOM 328 CB ASN A 21 2.981 15.652 5.716 1.00 72.31 C ATOM 329 CG ASN A 21 4.460 15.349 5.945 1.00 75.51 C ATOM 330 OD1 ASN A 21 4.873 14.191 6.021 1.00 44.22 O ATOM 331 ND2 ASN A 21 5.273 16.392 6.078 1.00 62.33 N ATOM 0 H ASN A 21 3.472 15.172 3.304 1.00 22.45 H new ATOM 0 HA ASN A 21 2.381 13.599 5.373 1.00 34.00 H new ATOM 0 HB2 ASN A 21 2.893 16.609 5.201 1.00 72.31 H new ATOM 0 HB3 ASN A 21 2.490 15.764 6.683 1.00 72.31 H new ATOM 0 HD21 ASN A 21 6.268 16.245 6.248 1.00 62.33 H new ATOM 0 HD22 ASN A 21 4.902 17.340 6.010 1.00 62.33 H new ATOM 338 N LYS A 22 0.366 15.928 4.085 1.00 63.01 N ATOM 339 CA LYS A 22 -1.036 16.356 3.951 1.00 1.33 C ATOM 340 C LYS A 22 -1.835 15.327 3.131 1.00 40.44 C ATOM 341 O LYS A 22 -3.016 15.116 3.390 1.00 1.35 O ATOM 342 CB LYS A 22 -1.124 17.764 3.325 1.00 13.41 C ATOM 343 CG LYS A 22 -0.551 17.859 1.903 1.00 53.34 C ATOM 344 CD LYS A 22 -0.485 19.292 1.365 1.00 4.44 C ATOM 345 CE LYS A 22 -1.868 19.930 1.168 1.00 3.05 C ATOM 346 NZ LYS A 22 -1.757 21.300 0.608 1.00 13.22 N ATOM 0 H LYS A 22 1.025 16.483 3.538 1.00 63.01 H new ATOM 0 HA LYS A 22 -1.478 16.411 4.946 1.00 1.33 H new ATOM 0 HB2 LYS A 22 -2.168 18.076 3.305 1.00 13.41 H new ATOM 0 HB3 LYS A 22 -0.593 18.468 3.966 1.00 13.41 H new ATOM 0 HG2 LYS A 22 0.451 17.430 1.894 1.00 53.34 H new ATOM 0 HG3 LYS A 22 -1.163 17.255 1.232 1.00 53.34 H new ATOM 0 HD2 LYS A 22 0.096 19.905 2.054 1.00 4.44 H new ATOM 0 HD3 LYS A 22 0.046 19.292 0.413 1.00 4.44 H new ATOM 0 HE2 LYS A 22 -2.465 19.309 0.500 1.00 3.05 H new ATOM 0 HE3 LYS A 22 -2.393 19.967 2.123 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 -2.708 21.704 0.487 1.00 13.22 H new ATOM 0 HZ2 LYS A 22 -1.208 21.897 1.258 1.00 13.22 H new ATOM 0 HZ3 LYS A 22 -1.278 21.260 -0.314 1.00 13.22 H new ATOM 360 N GLY A 23 -1.161 14.679 2.160 1.00 54.13 N ATOM 361 CA GLY A 23 -1.763 13.598 1.372 1.00 54.02 C ATOM 362 C GLY A 23 -2.232 12.426 2.242 1.00 61.44 C ATOM 363 O GLY A 23 -3.274 11.818 1.966 1.00 52.23 O ATOM 0 H GLY A 23 -0.196 14.891 1.906 1.00 54.13 H new ATOM 0 HA2 GLY A 23 -2.611 13.991 0.811 1.00 54.02 H new ATOM 0 HA3 GLY A 23 -1.037 13.237 0.643 1.00 54.02 H new ATOM 367 N ASN A 24 -1.451 12.128 3.304 1.00 4.12 N ATOM 368 CA ASN A 24 -1.800 11.099 4.313 1.00 44.43 C ATOM 369 C ASN A 24 -2.869 11.624 5.287 1.00 10.42 C ATOM 370 O ASN A 24 -3.744 10.859 5.712 1.00 23.21 O ATOM 371 CB ASN A 24 -0.548 10.608 5.104 1.00 63.34 C ATOM 372 CG ASN A 24 0.296 9.583 4.341 1.00 23.32 C ATOM 373 OD1 ASN A 24 -0.020 8.395 4.334 1.00 4.14 O ATOM 374 ND2 ASN A 24 1.381 10.011 3.720 1.00 13.21 N ATOM 0 H ASN A 24 -0.562 12.593 3.487 1.00 4.12 H new ATOM 0 HA ASN A 24 -2.206 10.246 3.769 1.00 44.43 H new ATOM 0 HB2 ASN A 24 0.075 11.467 5.351 1.00 63.34 H new ATOM 0 HB3 ASN A 24 -0.874 10.168 6.047 1.00 63.34 H new ATOM 0 HD21 ASN A 24 1.977 9.351 3.221 1.00 13.21 H new ATOM 0 HD22 ASN A 24 1.623 11.002 3.740 1.00 13.21 H new ATOM 381 N GLU A 25 -2.803 12.933 5.640 1.00 64.25 N ATOM 382 CA GLU A 25 -3.760 13.524 6.599 1.00 73.13 C ATOM 383 C GLU A 25 -5.165 13.564 5.976 1.00 24.35 C ATOM 384 O GLU A 25 -6.147 13.458 6.696 1.00 24.21 O ATOM 385 CB GLU A 25 -3.344 14.944 7.117 1.00 31.11 C ATOM 386 CG GLU A 25 -3.852 16.146 6.286 1.00 31.44 C ATOM 387 CD GLU A 25 -3.495 17.509 6.898 1.00 73.43 C ATOM 388 OE1 GLU A 25 -2.366 18.001 6.680 1.00 74.42 O ATOM 389 OE2 GLU A 25 -4.337 18.095 7.608 1.00 3.14 O ATOM 0 H GLU A 25 -2.108 13.587 5.280 1.00 64.25 H new ATOM 0 HA GLU A 25 -3.759 12.878 7.477 1.00 73.13 H new ATOM 0 HB2 GLU A 25 -3.705 15.056 8.139 1.00 31.11 H new ATOM 0 HB3 GLU A 25 -2.256 14.990 7.157 1.00 31.11 H new ATOM 0 HG2 GLU A 25 -3.432 16.086 5.282 1.00 31.44 H new ATOM 0 HG3 GLU A 25 -4.935 16.075 6.184 1.00 31.44 H new ATOM 396 N CYS A 26 -5.228 13.698 4.626 1.00 13.30 N ATOM 397 CA CYS A 26 -6.499 13.759 3.873 1.00 54.15 C ATOM 398 C CYS A 26 -7.373 12.521 4.139 1.00 70.03 C ATOM 399 O CYS A 26 -8.584 12.647 4.322 1.00 4.34 O ATOM 400 CB CYS A 26 -6.229 13.942 2.374 1.00 1.41 C ATOM 401 SG CYS A 26 -5.386 15.491 1.998 1.00 42.12 S ATOM 0 H CYS A 26 -4.400 13.766 4.035 1.00 13.30 H new ATOM 0 HA CYS A 26 -7.057 14.626 4.225 1.00 54.15 H new ATOM 0 HB2 CYS A 26 -5.625 13.109 2.014 1.00 1.41 H new ATOM 0 HB3 CYS A 26 -7.174 13.908 1.833 1.00 1.41 H new ATOM 0 HG CYS A 26 -4.233 15.514 2.597 1.00 42.12 H new ATOM 407 N PHE A 27 -6.733 11.340 4.227 1.00 50.35 N ATOM 408 CA PHE A 27 -7.406 10.082 4.619 1.00 12.04 C ATOM 409 C PHE A 27 -8.084 10.242 6.000 1.00 14.32 C ATOM 410 O PHE A 27 -9.275 9.944 6.162 1.00 44.20 O ATOM 411 CB PHE A 27 -6.389 8.905 4.619 1.00 45.53 C ATOM 412 CG PHE A 27 -5.792 8.619 3.240 1.00 30.42 C ATOM 413 CD1 PHE A 27 -6.612 8.200 2.192 1.00 44.41 C ATOM 414 CD2 PHE A 27 -4.430 8.785 2.980 1.00 42.43 C ATOM 415 CE1 PHE A 27 -6.090 7.947 0.940 1.00 32.44 C ATOM 416 CE2 PHE A 27 -3.910 8.532 1.725 1.00 33.10 C ATOM 417 CZ PHE A 27 -4.741 8.116 0.704 1.00 51.51 C ATOM 0 H PHE A 27 -5.739 11.228 4.030 1.00 50.35 H new ATOM 0 HA PHE A 27 -8.184 9.853 3.890 1.00 12.04 H new ATOM 0 HB2 PHE A 27 -5.582 9.131 5.316 1.00 45.53 H new ATOM 0 HB3 PHE A 27 -6.885 8.006 4.986 1.00 45.53 H new ATOM 0 HD1 PHE A 27 -7.671 8.072 2.363 1.00 44.41 H new ATOM 0 HD2 PHE A 27 -3.774 9.116 3.771 1.00 42.43 H new ATOM 0 HE1 PHE A 27 -6.739 7.616 0.143 1.00 32.44 H new ATOM 0 HE2 PHE A 27 -2.853 8.660 1.543 1.00 33.10 H new ATOM 0 HZ PHE A 27 -4.336 7.923 -0.278 1.00 51.51 H new ATOM 427 N GLN A 28 -7.327 10.821 6.952 1.00 71.31 N ATOM 428 CA GLN A 28 -7.812 11.143 8.310 1.00 62.33 C ATOM 429 C GLN A 28 -8.920 12.238 8.264 1.00 31.33 C ATOM 430 O GLN A 28 -9.754 12.313 9.172 1.00 32.32 O ATOM 431 CB GLN A 28 -6.619 11.604 9.210 1.00 53.15 C ATOM 432 CG GLN A 28 -6.995 12.006 10.662 1.00 60.42 C ATOM 433 CD GLN A 28 -7.568 10.841 11.485 1.00 62.35 C ATOM 434 OE1 GLN A 28 -6.828 10.109 12.139 1.00 1.30 O ATOM 435 NE2 GLN A 28 -8.886 10.652 11.469 1.00 73.23 N ATOM 0 H GLN A 28 -6.353 11.081 6.800 1.00 71.31 H new ATOM 0 HA GLN A 28 -8.251 10.243 8.741 1.00 62.33 H new ATOM 0 HB2 GLN A 28 -5.886 10.798 9.253 1.00 53.15 H new ATOM 0 HB3 GLN A 28 -6.132 12.453 8.731 1.00 53.15 H new ATOM 0 HG2 GLN A 28 -6.110 12.396 11.165 1.00 60.42 H new ATOM 0 HG3 GLN A 28 -7.726 12.814 10.630 1.00 60.42 H new ATOM 0 HE21 GLN A 28 -9.483 11.270 10.920 1.00 73.23 H new ATOM 0 HE22 GLN A 28 -9.298 9.889 12.006 1.00 73.23 H new ATOM 444 N LYS A 29 -8.956 13.068 7.183 1.00 12.33 N ATOM 445 CA LYS A 29 -9.987 14.125 7.039 1.00 30.15 C ATOM 446 C LYS A 29 -11.276 13.522 6.445 1.00 3.43 C ATOM 447 O LYS A 29 -12.288 14.220 6.341 1.00 4.22 O ATOM 448 CB LYS A 29 -9.496 15.309 6.136 1.00 73.43 C ATOM 449 CG LYS A 29 -8.080 15.848 6.434 1.00 12.51 C ATOM 450 CD LYS A 29 -7.833 16.304 7.891 1.00 21.30 C ATOM 451 CE LYS A 29 -8.580 17.592 8.255 1.00 31.14 C ATOM 452 NZ LYS A 29 -8.217 18.081 9.610 1.00 44.12 N ATOM 0 H LYS A 29 -8.291 13.023 6.411 1.00 12.33 H new ATOM 0 HA LYS A 29 -10.185 14.526 8.033 1.00 30.15 H new ATOM 0 HB2 LYS A 29 -9.527 14.983 5.096 1.00 73.43 H new ATOM 0 HB3 LYS A 29 -10.204 16.132 6.234 1.00 73.43 H new ATOM 0 HG2 LYS A 29 -7.356 15.072 6.187 1.00 12.51 H new ATOM 0 HG3 LYS A 29 -7.884 16.690 5.770 1.00 12.51 H new ATOM 0 HD2 LYS A 29 -8.140 15.509 8.571 1.00 21.30 H new ATOM 0 HD3 LYS A 29 -6.764 16.457 8.041 1.00 21.30 H new ATOM 0 HE2 LYS A 29 -8.354 18.363 7.519 1.00 31.14 H new ATOM 0 HE3 LYS A 29 -9.654 17.413 8.210 1.00 31.14 H new ATOM 0 HZ1 LYS A 29 -8.744 18.953 9.817 1.00 44.12 H new ATOM 0 HZ2 LYS A 29 -8.456 17.356 10.316 1.00 44.12 H new ATOM 0 HZ3 LYS A 29 -7.196 18.276 9.647 1.00 44.12 H new ATOM 466 N GLY A 30 -11.230 12.223 6.065 1.00 34.22 N ATOM 467 CA GLY A 30 -12.349 11.572 5.375 1.00 30.42 C ATOM 468 C GLY A 30 -12.488 12.094 3.959 1.00 12.11 C ATOM 469 O GLY A 30 -13.596 12.319 3.465 1.00 5.35 O ATOM 0 H GLY A 30 -10.428 11.614 6.228 1.00 34.22 H new ATOM 0 HA2 GLY A 30 -12.192 10.494 5.356 1.00 30.42 H new ATOM 0 HA3 GLY A 30 -13.273 11.749 5.925 1.00 30.42 H new ATOM 473 N ASP A 31 -11.331 12.266 3.315 1.00 3.41 N ATOM 474 CA ASP A 31 -11.190 12.996 2.050 1.00 2.31 C ATOM 475 C ASP A 31 -10.458 12.088 1.031 1.00 23.14 C ATOM 476 O ASP A 31 -9.657 12.548 0.218 1.00 24.33 O ATOM 477 CB ASP A 31 -10.426 14.323 2.372 1.00 5.20 C ATOM 478 CG ASP A 31 -10.330 15.316 1.205 1.00 1.33 C ATOM 479 OD1 ASP A 31 -11.379 15.855 0.785 1.00 13.34 O ATOM 480 OD2 ASP A 31 -9.204 15.591 0.726 1.00 53.53 O ATOM 0 H ASP A 31 -10.448 11.895 3.664 1.00 3.41 H new ATOM 0 HA ASP A 31 -12.146 13.257 1.597 1.00 2.31 H new ATOM 0 HB2 ASP A 31 -10.921 14.816 3.209 1.00 5.20 H new ATOM 0 HB3 ASP A 31 -9.417 14.073 2.701 1.00 5.20 H new ATOM 485 N TYR A 32 -10.824 10.777 1.057 1.00 74.53 N ATOM 486 CA TYR A 32 -10.158 9.689 0.287 1.00 51.30 C ATOM 487 C TYR A 32 -10.113 9.946 -1.257 1.00 14.44 C ATOM 488 O TYR A 32 -9.038 9.769 -1.849 1.00 33.33 O ATOM 489 CB TYR A 32 -10.819 8.297 0.572 1.00 43.33 C ATOM 490 CG TYR A 32 -10.598 7.748 1.992 1.00 54.43 C ATOM 491 CD1 TYR A 32 -11.089 8.421 3.110 1.00 71.43 C ATOM 492 CD2 TYR A 32 -9.900 6.552 2.209 1.00 44.32 C ATOM 493 CE1 TYR A 32 -10.894 7.939 4.381 1.00 61.31 C ATOM 494 CE2 TYR A 32 -9.702 6.064 3.485 1.00 31.24 C ATOM 495 CZ TYR A 32 -10.201 6.760 4.566 1.00 52.42 C ATOM 496 OH TYR A 32 -10.010 6.278 5.841 1.00 51.11 O ATOM 0 H TYR A 32 -11.603 10.441 1.623 1.00 74.53 H new ATOM 0 HA TYR A 32 -9.127 9.682 0.640 1.00 51.30 H new ATOM 0 HB2 TYR A 32 -11.891 8.378 0.393 1.00 43.33 H new ATOM 0 HB3 TYR A 32 -10.430 7.574 -0.145 1.00 43.33 H new ATOM 0 HD1 TYR A 32 -11.635 9.343 2.973 1.00 71.43 H new ATOM 0 HD2 TYR A 32 -9.511 6.003 1.364 1.00 44.32 H new ATOM 0 HE1 TYR A 32 -11.281 8.480 5.232 1.00 61.31 H new ATOM 0 HE2 TYR A 32 -9.159 5.142 3.636 1.00 31.24 H new ATOM 0 HH TYR A 32 -9.505 5.439 5.801 1.00 51.11 H new ATOM 506 N PRO A 33 -11.256 10.336 -1.958 1.00 25.25 N ATOM 507 CA PRO A 33 -11.217 10.604 -3.421 1.00 15.55 C ATOM 508 C PRO A 33 -10.259 11.769 -3.764 1.00 14.35 C ATOM 509 O PRO A 33 -9.332 11.605 -4.581 1.00 71.23 O ATOM 510 CB PRO A 33 -12.694 10.934 -3.780 1.00 31.15 C ATOM 511 CG PRO A 33 -13.337 11.328 -2.482 1.00 24.14 C ATOM 512 CD PRO A 33 -12.646 10.511 -1.421 1.00 12.53 C ATOM 0 HA PRO A 33 -10.833 9.759 -3.992 1.00 15.55 H new ATOM 0 HB2 PRO A 33 -12.751 11.743 -4.509 1.00 31.15 H new ATOM 0 HB3 PRO A 33 -13.194 10.072 -4.221 1.00 31.15 H new ATOM 0 HG2 PRO A 33 -13.218 12.395 -2.294 1.00 24.14 H new ATOM 0 HG3 PRO A 33 -14.408 11.124 -2.498 1.00 24.14 H new ATOM 0 HD2 PRO A 33 -12.642 11.024 -0.459 1.00 12.53 H new ATOM 0 HD3 PRO A 33 -13.140 9.552 -1.269 1.00 12.53 H new ATOM 520 N GLN A 34 -10.455 12.921 -3.078 1.00 0.41 N ATOM 521 CA GLN A 34 -9.603 14.113 -3.254 1.00 42.23 C ATOM 522 C GLN A 34 -8.144 13.807 -2.868 1.00 35.33 C ATOM 523 O GLN A 34 -7.234 14.452 -3.381 1.00 64.21 O ATOM 524 CB GLN A 34 -10.112 15.316 -2.418 1.00 75.44 C ATOM 525 CG GLN A 34 -11.487 15.891 -2.814 1.00 35.10 C ATOM 526 CD GLN A 34 -11.538 16.403 -4.253 1.00 40.32 C ATOM 527 OE1 GLN A 34 -11.178 17.544 -4.543 1.00 60.44 O ATOM 528 NE2 GLN A 34 -12.037 15.592 -5.158 1.00 4.23 N ATOM 0 H GLN A 34 -11.202 13.046 -2.394 1.00 0.41 H new ATOM 0 HA GLN A 34 -9.652 14.381 -4.309 1.00 42.23 H new ATOM 0 HB2 GLN A 34 -10.157 15.011 -1.372 1.00 75.44 H new ATOM 0 HB3 GLN A 34 -9.375 16.116 -2.485 1.00 75.44 H new ATOM 0 HG2 GLN A 34 -12.246 15.120 -2.683 1.00 35.10 H new ATOM 0 HG3 GLN A 34 -11.741 16.706 -2.137 1.00 35.10 H new ATOM 0 HE21 GLN A 34 -12.329 14.651 -4.894 1.00 4.23 H new ATOM 0 HE22 GLN A 34 -12.133 15.903 -6.125 1.00 4.23 H new ATOM 537 N ALA A 35 -7.939 12.815 -1.963 1.00 3.51 N ATOM 538 CA ALA A 35 -6.598 12.392 -1.504 1.00 3.02 C ATOM 539 C ALA A 35 -5.777 11.786 -2.651 1.00 30.25 C ATOM 540 O ALA A 35 -4.540 11.856 -2.623 1.00 53.54 O ATOM 541 CB ALA A 35 -6.695 11.404 -0.327 1.00 53.42 C ATOM 0 H ALA A 35 -8.700 12.289 -1.534 1.00 3.51 H new ATOM 0 HA ALA A 35 -6.080 13.285 -1.155 1.00 3.02 H new ATOM 0 HB1 ALA A 35 -5.693 11.112 -0.013 1.00 53.42 H new ATOM 0 HB2 ALA A 35 -7.212 11.880 0.506 1.00 53.42 H new ATOM 0 HB3 ALA A 35 -7.249 10.519 -0.640 1.00 53.42 H new ATOM 547 N MET A 36 -6.468 11.211 -3.672 1.00 10.31 N ATOM 548 CA MET A 36 -5.784 10.720 -4.893 1.00 74.12 C ATOM 549 C MET A 36 -5.255 11.920 -5.693 1.00 11.13 C ATOM 550 O MET A 36 -4.161 11.880 -6.258 1.00 42.33 O ATOM 551 CB MET A 36 -6.742 9.885 -5.781 1.00 71.13 C ATOM 552 CG MET A 36 -7.275 8.605 -5.137 1.00 53.22 C ATOM 553 SD MET A 36 -8.317 7.667 -6.277 1.00 62.45 S ATOM 554 CE MET A 36 -9.603 8.862 -6.665 1.00 44.22 C ATOM 0 H MET A 36 -7.479 11.079 -3.673 1.00 10.31 H new ATOM 0 HA MET A 36 -4.959 10.076 -4.589 1.00 74.12 H new ATOM 0 HB2 MET A 36 -7.589 10.511 -6.063 1.00 71.13 H new ATOM 0 HB3 MET A 36 -6.221 9.620 -6.701 1.00 71.13 H new ATOM 0 HG2 MET A 36 -6.439 7.985 -4.814 1.00 53.22 H new ATOM 0 HG3 MET A 36 -7.848 8.858 -4.245 1.00 53.22 H new ATOM 0 HE1 MET A 36 -10.560 8.349 -6.759 1.00 44.22 H new ATOM 0 HE2 MET A 36 -9.665 9.602 -5.867 1.00 44.22 H new ATOM 0 HE3 MET A 36 -9.365 9.360 -7.605 1.00 44.22 H new ATOM 564 N LYS A 37 -6.056 12.998 -5.687 1.00 73.32 N ATOM 565 CA LYS A 37 -5.776 14.247 -6.413 1.00 74.31 C ATOM 566 C LYS A 37 -4.706 15.080 -5.671 1.00 12.30 C ATOM 567 O LYS A 37 -3.919 15.791 -6.307 1.00 13.43 O ATOM 568 CB LYS A 37 -7.097 15.038 -6.591 1.00 13.43 C ATOM 569 CG LYS A 37 -8.224 14.192 -7.235 1.00 2.25 C ATOM 570 CD LYS A 37 -9.553 14.962 -7.375 1.00 24.12 C ATOM 571 CE LYS A 37 -10.637 14.167 -8.125 1.00 61.31 C ATOM 572 NZ LYS A 37 -10.988 12.894 -7.443 1.00 44.03 N ATOM 0 H LYS A 37 -6.933 13.026 -5.167 1.00 73.32 H new ATOM 0 HA LYS A 37 -5.373 14.017 -7.399 1.00 74.31 H new ATOM 0 HB2 LYS A 37 -7.432 15.400 -5.619 1.00 13.43 H new ATOM 0 HB3 LYS A 37 -6.909 15.915 -7.210 1.00 13.43 H new ATOM 0 HG2 LYS A 37 -7.900 13.856 -8.220 1.00 2.25 H new ATOM 0 HG3 LYS A 37 -8.390 13.299 -6.632 1.00 2.25 H new ATOM 0 HD2 LYS A 37 -9.922 15.221 -6.383 1.00 24.12 H new ATOM 0 HD3 LYS A 37 -9.369 15.899 -7.901 1.00 24.12 H new ATOM 0 HE2 LYS A 37 -11.532 14.782 -8.221 1.00 61.31 H new ATOM 0 HE3 LYS A 37 -10.289 13.950 -9.135 1.00 61.31 H new ATOM 0 HZ1 LYS A 37 -11.745 12.415 -7.971 1.00 44.03 H new ATOM 0 HZ2 LYS A 37 -10.150 12.279 -7.404 1.00 44.03 H new ATOM 0 HZ3 LYS A 37 -11.314 13.096 -6.476 1.00 44.03 H new ATOM 586 N HIS A 38 -4.669 14.946 -4.324 1.00 0.32 N ATOM 587 CA HIS A 38 -3.630 15.565 -3.463 1.00 33.32 C ATOM 588 C HIS A 38 -2.284 14.865 -3.712 1.00 3.51 C ATOM 589 O HIS A 38 -1.221 15.494 -3.682 1.00 74.12 O ATOM 590 CB HIS A 38 -4.005 15.486 -1.951 1.00 1.43 C ATOM 591 CG HIS A 38 -5.210 16.309 -1.550 1.00 74.30 C ATOM 592 ND1 HIS A 38 -5.325 17.654 -1.811 1.00 53.23 N ATOM 593 CD2 HIS A 38 -6.346 15.973 -0.893 1.00 63.22 C ATOM 594 CE1 HIS A 38 -6.470 18.100 -1.329 1.00 54.22 C ATOM 595 NE2 HIS A 38 -7.103 17.097 -0.774 1.00 63.14 N ATOM 0 H HIS A 38 -5.359 14.405 -3.802 1.00 0.32 H new ATOM 0 HA HIS A 38 -3.556 16.621 -3.723 1.00 33.32 H new ATOM 0 HB2 HIS A 38 -4.192 14.444 -1.692 1.00 1.43 H new ATOM 0 HB3 HIS A 38 -3.148 15.812 -1.361 1.00 1.43 H new ATOM 0 HD2 HIS A 38 -6.604 14.990 -0.529 1.00 63.22 H new ATOM 0 HE1 HIS A 38 -6.824 19.119 -1.383 1.00 54.22 H new ATOM 0 HE2 HIS A 38 -8.017 17.150 -0.325 1.00 63.14 H new ATOM 604 N TYR A 39 -2.360 13.540 -3.964 1.00 31.10 N ATOM 605 CA TYR A 39 -1.194 12.728 -4.341 1.00 61.45 C ATOM 606 C TYR A 39 -0.761 12.977 -5.796 1.00 11.32 C ATOM 607 O TYR A 39 0.400 12.764 -6.106 1.00 55.01 O ATOM 608 CB TYR A 39 -1.447 11.206 -4.099 1.00 62.53 C ATOM 609 CG TYR A 39 -1.191 10.706 -2.663 1.00 41.40 C ATOM 610 CD1 TYR A 39 -0.317 11.377 -1.787 1.00 51.02 C ATOM 611 CD2 TYR A 39 -1.797 9.538 -2.194 1.00 73.42 C ATOM 612 CE1 TYR A 39 -0.075 10.902 -0.514 1.00 34.04 C ATOM 613 CE2 TYR A 39 -1.547 9.062 -0.925 1.00 43.25 C ATOM 614 CZ TYR A 39 -0.686 9.746 -0.088 1.00 55.22 C ATOM 615 OH TYR A 39 -0.433 9.267 1.179 1.00 14.22 O ATOM 0 H TYR A 39 -3.230 13.010 -3.911 1.00 31.10 H new ATOM 0 HA TYR A 39 -0.377 13.044 -3.693 1.00 61.45 H new ATOM 0 HB2 TYR A 39 -2.480 10.982 -4.363 1.00 62.53 H new ATOM 0 HB3 TYR A 39 -0.813 10.638 -4.780 1.00 62.53 H new ATOM 0 HD1 TYR A 39 0.174 12.281 -2.117 1.00 51.02 H new ATOM 0 HD2 TYR A 39 -2.475 8.998 -2.838 1.00 73.42 H new ATOM 0 HE1 TYR A 39 0.592 11.437 0.146 1.00 34.04 H new ATOM 0 HE2 TYR A 39 -2.024 8.155 -0.585 1.00 43.25 H new ATOM 0 HH TYR A 39 -1.080 9.649 1.808 1.00 14.22 H new ATOM 625 N THR A 40 -1.672 13.443 -6.678 1.00 45.25 N ATOM 626 CA THR A 40 -1.354 13.630 -8.116 1.00 35.21 C ATOM 627 C THR A 40 -0.173 14.611 -8.305 1.00 44.53 C ATOM 628 O THR A 40 0.772 14.324 -9.059 1.00 72.04 O ATOM 629 CB THR A 40 -2.595 14.126 -8.925 1.00 1.03 C ATOM 630 OG1 THR A 40 -3.697 13.229 -8.724 1.00 12.31 O ATOM 631 CG2 THR A 40 -2.297 14.218 -10.433 1.00 73.20 C ATOM 0 H THR A 40 -2.627 13.696 -6.425 1.00 45.25 H new ATOM 0 HA THR A 40 -1.064 12.654 -8.505 1.00 35.21 H new ATOM 0 HB THR A 40 -2.844 15.123 -8.562 1.00 1.03 H new ATOM 0 HG1 THR A 40 -3.650 12.851 -7.821 1.00 12.31 H new ATOM 0 HG21 THR A 40 -3.186 14.567 -10.959 1.00 73.20 H new ATOM 0 HG22 THR A 40 -1.479 14.918 -10.600 1.00 73.20 H new ATOM 0 HG23 THR A 40 -2.015 13.234 -10.809 1.00 73.20 H new ATOM 639 N GLU A 41 -0.226 15.754 -7.582 1.00 24.41 N ATOM 640 CA GLU A 41 0.878 16.727 -7.569 1.00 74.54 C ATOM 641 C GLU A 41 2.093 16.141 -6.819 1.00 51.12 C ATOM 642 O GLU A 41 3.223 16.433 -7.174 1.00 43.12 O ATOM 643 CB GLU A 41 0.468 18.091 -6.940 1.00 24.40 C ATOM 644 CG GLU A 41 0.121 18.040 -5.432 1.00 63.55 C ATOM 645 CD GLU A 41 0.138 19.424 -4.764 1.00 71.44 C ATOM 646 OE1 GLU A 41 1.244 19.983 -4.571 1.00 74.32 O ATOM 647 OE2 GLU A 41 -0.939 19.963 -4.436 1.00 51.35 O ATOM 0 H GLU A 41 -1.022 16.020 -7.003 1.00 24.41 H new ATOM 0 HA GLU A 41 1.145 16.921 -8.608 1.00 74.54 H new ATOM 0 HB2 GLU A 41 1.283 18.800 -7.086 1.00 24.40 H new ATOM 0 HB3 GLU A 41 -0.394 18.479 -7.483 1.00 24.40 H new ATOM 0 HG2 GLU A 41 -0.866 17.595 -5.307 1.00 63.55 H new ATOM 0 HG3 GLU A 41 0.832 17.389 -4.923 1.00 63.55 H new ATOM 654 N ALA A 42 1.836 15.296 -5.793 1.00 60.11 N ATOM 655 CA ALA A 42 2.897 14.679 -4.959 1.00 32.03 C ATOM 656 C ALA A 42 3.778 13.691 -5.762 1.00 74.13 C ATOM 657 O ALA A 42 4.955 13.515 -5.436 1.00 41.32 O ATOM 658 CB ALA A 42 2.281 13.991 -3.735 1.00 21.31 C ATOM 0 H ALA A 42 0.892 15.023 -5.520 1.00 60.11 H new ATOM 0 HA ALA A 42 3.552 15.482 -4.621 1.00 32.03 H new ATOM 0 HB1 ALA A 42 3.072 13.543 -3.133 1.00 21.31 H new ATOM 0 HB2 ALA A 42 1.742 14.726 -3.137 1.00 21.31 H new ATOM 0 HB3 ALA A 42 1.591 13.214 -4.063 1.00 21.31 H new ATOM 664 N ILE A 43 3.192 13.052 -6.799 1.00 64.32 N ATOM 665 CA ILE A 43 3.946 12.239 -7.778 1.00 71.11 C ATOM 666 C ILE A 43 4.837 13.179 -8.633 1.00 63.33 C ATOM 667 O ILE A 43 5.983 12.853 -8.942 1.00 32.41 O ATOM 668 CB ILE A 43 2.983 11.349 -8.693 1.00 14.33 C ATOM 669 CG1 ILE A 43 2.553 10.013 -7.982 1.00 22.10 C ATOM 670 CG2 ILE A 43 3.612 11.017 -10.074 1.00 23.32 C ATOM 671 CD1 ILE A 43 1.706 10.146 -6.731 1.00 32.11 C ATOM 0 H ILE A 43 2.189 13.085 -6.980 1.00 64.32 H new ATOM 0 HA ILE A 43 4.578 11.536 -7.236 1.00 71.11 H new ATOM 0 HB ILE A 43 2.096 11.961 -8.856 1.00 14.33 H new ATOM 0 HG12 ILE A 43 2.003 9.407 -8.702 1.00 22.10 H new ATOM 0 HG13 ILE A 43 3.456 9.460 -7.724 1.00 22.10 H new ATOM 0 HG21 ILE A 43 2.916 10.411 -10.655 1.00 23.32 H new ATOM 0 HG22 ILE A 43 3.822 11.943 -10.610 1.00 23.32 H new ATOM 0 HG23 ILE A 43 4.540 10.464 -9.928 1.00 23.32 H new ATOM 0 HD11 ILE A 43 1.478 9.155 -6.339 1.00 32.11 H new ATOM 0 HD12 ILE A 43 2.253 10.716 -5.980 1.00 32.11 H new ATOM 0 HD13 ILE A 43 0.777 10.663 -6.974 1.00 32.11 H new ATOM 683 N LYS A 44 4.303 14.373 -8.976 1.00 24.11 N ATOM 684 CA LYS A 44 5.052 15.402 -9.735 1.00 11.34 C ATOM 685 C LYS A 44 6.207 15.982 -8.880 1.00 64.25 C ATOM 686 O LYS A 44 7.221 16.438 -9.422 1.00 1.41 O ATOM 687 CB LYS A 44 4.105 16.544 -10.209 1.00 71.45 C ATOM 688 CG LYS A 44 2.903 16.093 -11.070 1.00 61.12 C ATOM 689 CD LYS A 44 3.322 15.358 -12.364 1.00 64.42 C ATOM 690 CE LYS A 44 2.135 15.105 -13.314 1.00 43.54 C ATOM 691 NZ LYS A 44 1.540 16.376 -13.813 1.00 2.05 N ATOM 0 H LYS A 44 3.351 14.649 -8.738 1.00 24.11 H new ATOM 0 HA LYS A 44 5.479 14.923 -10.616 1.00 11.34 H new ATOM 0 HB2 LYS A 44 3.726 17.067 -9.331 1.00 71.45 H new ATOM 0 HB3 LYS A 44 4.690 17.264 -10.781 1.00 71.45 H new ATOM 0 HG2 LYS A 44 2.266 15.437 -10.477 1.00 61.12 H new ATOM 0 HG3 LYS A 44 2.305 16.966 -11.333 1.00 61.12 H new ATOM 0 HD2 LYS A 44 4.079 15.947 -12.883 1.00 64.42 H new ATOM 0 HD3 LYS A 44 3.783 14.405 -12.103 1.00 64.42 H new ATOM 0 HE2 LYS A 44 2.469 14.504 -14.160 1.00 43.54 H new ATOM 0 HE3 LYS A 44 1.371 14.527 -12.794 1.00 43.54 H new ATOM 0 HZ1 LYS A 44 0.900 16.172 -14.607 1.00 2.05 H new ATOM 0 HZ2 LYS A 44 1.006 16.834 -13.047 1.00 2.05 H new ATOM 0 HZ3 LYS A 44 2.298 17.012 -14.134 1.00 2.05 H new ATOM 705 N ARG A 45 6.037 15.964 -7.535 1.00 43.33 N ATOM 706 CA ARG A 45 7.054 16.459 -6.588 1.00 60.03 C ATOM 707 C ARG A 45 8.185 15.416 -6.443 1.00 34.33 C ATOM 708 O ARG A 45 9.354 15.708 -6.715 1.00 3.23 O ATOM 709 CB ARG A 45 6.431 16.767 -5.189 1.00 44.32 C ATOM 710 CG ARG A 45 5.197 17.696 -5.170 1.00 44.24 C ATOM 711 CD ARG A 45 5.417 19.061 -5.831 1.00 43.50 C ATOM 712 NE ARG A 45 4.169 19.856 -5.856 1.00 60.31 N ATOM 713 CZ ARG A 45 3.958 20.946 -6.617 1.00 1.11 C ATOM 714 NH1 ARG A 45 4.895 21.407 -7.439 1.00 54.43 N ATOM 715 NH2 ARG A 45 2.793 21.570 -6.543 1.00 61.33 N ATOM 0 H ARG A 45 5.195 15.607 -7.083 1.00 43.33 H new ATOM 0 HA ARG A 45 7.461 17.389 -6.985 1.00 60.03 H new ATOM 0 HB2 ARG A 45 6.152 15.821 -4.725 1.00 44.32 H new ATOM 0 HB3 ARG A 45 7.203 17.214 -4.563 1.00 44.32 H new ATOM 0 HG2 ARG A 45 4.371 17.192 -5.673 1.00 44.24 H new ATOM 0 HG3 ARG A 45 4.892 17.853 -4.135 1.00 44.24 H new ATOM 0 HD2 ARG A 45 6.188 19.609 -5.290 1.00 43.50 H new ATOM 0 HD3 ARG A 45 5.781 18.920 -6.849 1.00 43.50 H new ATOM 0 HE ARG A 45 3.408 19.554 -5.248 1.00 60.31 H new ATOM 0 HH11 ARG A 45 5.796 20.933 -7.502 1.00 54.43 H new ATOM 0 HH12 ARG A 45 4.713 22.235 -8.006 1.00 54.43 H new ATOM 0 HH21 ARG A 45 2.068 21.224 -5.915 1.00 61.33 H new ATOM 0 HH22 ARG A 45 2.620 22.397 -7.114 1.00 61.33 H new ATOM 729 N ASN A 46 7.798 14.185 -6.047 1.00 42.42 N ATOM 730 CA ASN A 46 8.743 13.068 -5.789 1.00 30.43 C ATOM 731 C ASN A 46 8.167 11.703 -6.282 1.00 64.25 C ATOM 732 O ASN A 46 7.511 10.976 -5.528 1.00 62.11 O ATOM 733 CB ASN A 46 9.170 13.021 -4.284 1.00 51.32 C ATOM 734 CG ASN A 46 8.051 13.142 -3.220 1.00 43.11 C ATOM 735 OD1 ASN A 46 8.308 13.621 -2.116 1.00 41.25 O ATOM 736 ND2 ASN A 46 6.824 12.711 -3.501 1.00 70.34 N ATOM 0 H ASN A 46 6.821 13.933 -5.896 1.00 42.42 H new ATOM 0 HA ASN A 46 9.645 13.256 -6.371 1.00 30.43 H new ATOM 0 HB2 ASN A 46 9.697 12.082 -4.113 1.00 51.32 H new ATOM 0 HB3 ASN A 46 9.886 13.825 -4.112 1.00 51.32 H new ATOM 0 HD21 ASN A 46 6.087 12.776 -2.799 1.00 70.34 H new ATOM 0 HD22 ASN A 46 6.620 12.315 -4.419 1.00 70.34 H new ATOM 743 N PRO A 47 8.422 11.329 -7.572 1.00 14.01 N ATOM 744 CA PRO A 47 7.886 10.079 -8.171 1.00 34.05 C ATOM 745 C PRO A 47 8.705 8.814 -7.811 1.00 73.12 C ATOM 746 O PRO A 47 8.349 7.706 -8.221 1.00 4.13 O ATOM 747 CB PRO A 47 7.970 10.388 -9.680 1.00 62.23 C ATOM 748 CG PRO A 47 9.196 11.245 -9.818 1.00 64.13 C ATOM 749 CD PRO A 47 9.245 12.097 -8.561 1.00 2.42 C ATOM 0 HA PRO A 47 6.886 9.841 -7.808 1.00 34.05 H new ATOM 0 HB2 PRO A 47 8.055 9.475 -10.269 1.00 62.23 H new ATOM 0 HB3 PRO A 47 7.079 10.910 -10.029 1.00 62.23 H new ATOM 0 HG2 PRO A 47 10.093 10.633 -9.911 1.00 64.13 H new ATOM 0 HG3 PRO A 47 9.140 11.867 -10.711 1.00 64.13 H new ATOM 0 HD2 PRO A 47 10.268 12.232 -8.210 1.00 2.42 H new ATOM 0 HD3 PRO A 47 8.834 13.091 -8.736 1.00 2.42 H new ATOM 757 N LYS A 48 9.806 8.999 -7.064 1.00 13.12 N ATOM 758 CA LYS A 48 10.718 7.906 -6.662 1.00 62.21 C ATOM 759 C LYS A 48 10.224 7.268 -5.358 1.00 55.32 C ATOM 760 O LYS A 48 10.448 6.076 -5.103 1.00 74.02 O ATOM 761 CB LYS A 48 12.160 8.457 -6.479 1.00 42.13 C ATOM 762 CG LYS A 48 12.662 9.301 -7.662 1.00 33.14 C ATOM 763 CD LYS A 48 12.678 8.521 -8.995 1.00 41.44 C ATOM 764 CE LYS A 48 13.151 9.390 -10.161 1.00 41.42 C ATOM 765 NZ LYS A 48 14.559 9.843 -9.990 1.00 10.25 N ATOM 0 H LYS A 48 10.093 9.915 -6.718 1.00 13.12 H new ATOM 0 HA LYS A 48 10.730 7.146 -7.443 1.00 62.21 H new ATOM 0 HB2 LYS A 48 12.194 9.063 -5.573 1.00 42.13 H new ATOM 0 HB3 LYS A 48 12.841 7.620 -6.328 1.00 42.13 H new ATOM 0 HG2 LYS A 48 12.027 10.180 -7.769 1.00 33.14 H new ATOM 0 HG3 LYS A 48 13.668 9.659 -7.445 1.00 33.14 H new ATOM 0 HD2 LYS A 48 13.332 7.654 -8.900 1.00 41.44 H new ATOM 0 HD3 LYS A 48 11.677 8.144 -9.206 1.00 41.44 H new ATOM 0 HE2 LYS A 48 13.062 8.827 -11.090 1.00 41.42 H new ATOM 0 HE3 LYS A 48 12.500 10.259 -10.251 1.00 41.42 H new ATOM 0 HZ1 LYS A 48 14.881 10.312 -10.860 1.00 10.25 H new ATOM 0 HZ2 LYS A 48 14.615 10.512 -9.195 1.00 10.25 H new ATOM 0 HZ3 LYS A 48 15.167 9.022 -9.795 1.00 10.25 H new ATOM 779 N ASP A 49 9.547 8.101 -4.546 1.00 23.35 N ATOM 780 CA ASP A 49 9.016 7.729 -3.236 1.00 31.44 C ATOM 781 C ASP A 49 7.842 6.746 -3.386 1.00 73.54 C ATOM 782 O ASP A 49 6.710 7.148 -3.663 1.00 62.05 O ATOM 783 CB ASP A 49 8.604 9.008 -2.456 1.00 53.23 C ATOM 784 CG ASP A 49 9.794 9.758 -1.843 1.00 2.11 C ATOM 785 OD1 ASP A 49 10.466 10.517 -2.559 1.00 44.20 O ATOM 786 OD2 ASP A 49 10.050 9.590 -0.626 1.00 51.52 O ATOM 0 H ASP A 49 9.354 9.071 -4.795 1.00 23.35 H new ATOM 0 HA ASP A 49 9.790 7.218 -2.664 1.00 31.44 H new ATOM 0 HB2 ASP A 49 8.069 9.678 -3.129 1.00 53.23 H new ATOM 0 HB3 ASP A 49 7.910 8.733 -1.662 1.00 53.23 H new ATOM 791 N ALA A 50 8.157 5.451 -3.215 1.00 31.40 N ATOM 792 CA ALA A 50 7.211 4.329 -3.369 1.00 72.54 C ATOM 793 C ALA A 50 6.067 4.359 -2.330 1.00 21.32 C ATOM 794 O ALA A 50 4.976 3.849 -2.592 1.00 44.21 O ATOM 795 CB ALA A 50 7.999 3.013 -3.301 1.00 32.42 C ATOM 0 H ALA A 50 9.097 5.147 -2.960 1.00 31.40 H new ATOM 0 HA ALA A 50 6.722 4.420 -4.339 1.00 72.54 H new ATOM 0 HB1 ALA A 50 7.314 2.173 -3.413 1.00 32.42 H new ATOM 0 HB2 ALA A 50 8.737 2.989 -4.103 1.00 32.42 H new ATOM 0 HB3 ALA A 50 8.506 2.942 -2.339 1.00 32.42 H new ATOM 801 N LYS A 51 6.325 4.980 -1.153 1.00 3.44 N ATOM 802 CA LYS A 51 5.315 5.116 -0.071 1.00 51.03 C ATOM 803 C LYS A 51 4.139 6.034 -0.490 1.00 14.15 C ATOM 804 O LYS A 51 3.074 6.006 0.124 1.00 44.34 O ATOM 805 CB LYS A 51 5.929 5.573 1.294 1.00 4.33 C ATOM 806 CG LYS A 51 6.408 7.041 1.393 1.00 10.42 C ATOM 807 CD LYS A 51 7.639 7.360 0.529 1.00 43.21 C ATOM 808 CE LYS A 51 8.891 6.543 0.896 1.00 4.35 C ATOM 809 NZ LYS A 51 9.398 6.870 2.251 1.00 13.41 N ATOM 0 H LYS A 51 7.228 5.397 -0.927 1.00 3.44 H new ATOM 0 HA LYS A 51 4.919 4.113 0.089 1.00 51.03 H new ATOM 0 HB2 LYS A 51 5.185 5.406 2.073 1.00 4.33 H new ATOM 0 HB3 LYS A 51 6.776 4.925 1.518 1.00 4.33 H new ATOM 0 HG2 LYS A 51 5.591 7.699 1.099 1.00 10.42 H new ATOM 0 HG3 LYS A 51 6.640 7.267 2.434 1.00 10.42 H new ATOM 0 HD2 LYS A 51 7.393 7.178 -0.517 1.00 43.21 H new ATOM 0 HD3 LYS A 51 7.870 8.421 0.622 1.00 43.21 H new ATOM 0 HE2 LYS A 51 8.656 5.480 0.845 1.00 4.35 H new ATOM 0 HE3 LYS A 51 9.674 6.732 0.162 1.00 4.35 H new ATOM 0 HZ1 LYS A 51 10.241 6.296 2.454 1.00 13.41 H new ATOM 0 HZ2 LYS A 51 9.647 7.879 2.294 1.00 13.41 H new ATOM 0 HZ3 LYS A 51 8.661 6.665 2.956 1.00 13.41 H new ATOM 823 N LEU A 52 4.362 6.879 -1.513 1.00 52.24 N ATOM 824 CA LEU A 52 3.295 7.691 -2.140 1.00 33.50 C ATOM 825 C LEU A 52 2.303 6.776 -2.890 1.00 33.22 C ATOM 826 O LEU A 52 1.081 6.923 -2.765 1.00 30.35 O ATOM 827 CB LEU A 52 3.921 8.759 -3.102 1.00 1.13 C ATOM 828 CG LEU A 52 4.417 10.095 -2.446 1.00 63.21 C ATOM 829 CD1 LEU A 52 3.233 10.976 -2.021 1.00 2.13 C ATOM 830 CD2 LEU A 52 5.362 9.847 -1.251 1.00 64.54 C ATOM 0 H LEU A 52 5.282 7.020 -1.929 1.00 52.24 H new ATOM 0 HA LEU A 52 2.745 8.221 -1.362 1.00 33.50 H new ATOM 0 HB2 LEU A 52 4.764 8.300 -3.617 1.00 1.13 H new ATOM 0 HB3 LEU A 52 3.180 9.008 -3.862 1.00 1.13 H new ATOM 0 HG LEU A 52 4.989 10.624 -3.208 1.00 63.21 H new ATOM 0 HD11 LEU A 52 3.607 11.895 -1.570 1.00 2.13 H new ATOM 0 HD12 LEU A 52 2.629 11.221 -2.895 1.00 2.13 H new ATOM 0 HD13 LEU A 52 2.621 10.439 -1.296 1.00 2.13 H new ATOM 0 HD21 LEU A 52 5.677 10.803 -0.832 1.00 64.54 H new ATOM 0 HD22 LEU A 52 4.840 9.271 -0.487 1.00 64.54 H new ATOM 0 HD23 LEU A 52 6.238 9.292 -1.588 1.00 64.54 H new ATOM 842 N TYR A 53 2.865 5.808 -3.629 1.00 11.12 N ATOM 843 CA TYR A 53 2.107 4.853 -4.462 1.00 15.13 C ATOM 844 C TYR A 53 1.449 3.764 -3.607 1.00 72.24 C ATOM 845 O TYR A 53 0.399 3.238 -3.963 1.00 32.23 O ATOM 846 CB TYR A 53 3.042 4.208 -5.510 1.00 3.40 C ATOM 847 CG TYR A 53 3.682 5.230 -6.453 1.00 40.52 C ATOM 848 CD1 TYR A 53 3.004 5.676 -7.586 1.00 53.11 C ATOM 849 CD2 TYR A 53 4.950 5.765 -6.198 1.00 63.34 C ATOM 850 CE1 TYR A 53 3.569 6.607 -8.431 1.00 51.43 C ATOM 851 CE2 TYR A 53 5.516 6.695 -7.040 1.00 73.42 C ATOM 852 CZ TYR A 53 4.824 7.114 -8.155 1.00 34.12 C ATOM 853 OH TYR A 53 5.393 8.039 -9.006 1.00 44.34 O ATOM 0 H TYR A 53 3.874 5.662 -3.668 1.00 11.12 H new ATOM 0 HA TYR A 53 1.317 5.405 -4.971 1.00 15.13 H new ATOM 0 HB2 TYR A 53 3.828 3.655 -4.996 1.00 3.40 H new ATOM 0 HB3 TYR A 53 2.476 3.485 -6.097 1.00 3.40 H new ATOM 0 HD1 TYR A 53 2.021 5.286 -7.805 1.00 53.11 H new ATOM 0 HD2 TYR A 53 5.495 5.442 -5.323 1.00 63.34 H new ATOM 0 HE1 TYR A 53 3.032 6.939 -9.307 1.00 51.43 H new ATOM 0 HE2 TYR A 53 6.497 7.094 -6.828 1.00 73.42 H new ATOM 0 HH TYR A 53 6.369 7.997 -8.929 1.00 44.34 H new ATOM 863 N SER A 54 2.081 3.436 -2.474 1.00 53.20 N ATOM 864 CA SER A 54 1.579 2.408 -1.556 1.00 2.31 C ATOM 865 C SER A 54 0.278 2.862 -0.866 1.00 13.45 C ATOM 866 O SER A 54 -0.633 2.059 -0.635 1.00 11.24 O ATOM 867 CB SER A 54 2.653 2.083 -0.511 1.00 75.11 C ATOM 868 OG SER A 54 2.937 3.186 0.323 1.00 23.54 O ATOM 0 H SER A 54 2.951 3.873 -2.169 1.00 53.20 H new ATOM 0 HA SER A 54 1.352 1.511 -2.132 1.00 2.31 H new ATOM 0 HB2 SER A 54 2.321 1.244 0.100 1.00 75.11 H new ATOM 0 HB3 SER A 54 3.566 1.767 -1.017 1.00 75.11 H new ATOM 0 HG SER A 54 2.247 3.258 1.016 1.00 23.54 H new ATOM 874 N ASN A 55 0.222 4.170 -0.530 1.00 73.13 N ATOM 875 CA ASN A 55 -0.955 4.794 0.117 1.00 65.43 C ATOM 876 C ASN A 55 -2.020 5.155 -0.933 1.00 20.34 C ATOM 877 O ASN A 55 -3.206 5.292 -0.612 1.00 55.03 O ATOM 878 CB ASN A 55 -0.551 6.045 0.932 1.00 23.31 C ATOM 879 CG ASN A 55 0.553 5.780 1.959 1.00 24.42 C ATOM 880 OD1 ASN A 55 0.759 4.655 2.417 1.00 71.35 O ATOM 881 ND2 ASN A 55 1.248 6.828 2.355 1.00 33.13 N ATOM 0 H ASN A 55 0.989 4.821 -0.699 1.00 73.13 H new ATOM 0 HA ASN A 55 -1.380 4.067 0.809 1.00 65.43 H new ATOM 0 HB2 ASN A 55 -0.217 6.823 0.245 1.00 23.31 H new ATOM 0 HB3 ASN A 55 -1.430 6.431 1.448 1.00 23.31 H new ATOM 0 HD21 ASN A 55 1.979 6.719 3.058 1.00 33.13 H new ATOM 0 HD22 ASN A 55 1.055 7.748 1.958 1.00 33.13 H new ATOM 888 N ARG A 56 -1.574 5.314 -2.188 1.00 23.01 N ATOM 889 CA ARG A 56 -2.464 5.478 -3.354 1.00 31.22 C ATOM 890 C ARG A 56 -3.234 4.159 -3.595 1.00 25.34 C ATOM 891 O ARG A 56 -4.443 4.163 -3.849 1.00 42.20 O ATOM 892 CB ARG A 56 -1.618 5.868 -4.595 1.00 52.13 C ATOM 893 CG ARG A 56 -2.409 6.128 -5.895 1.00 55.02 C ATOM 894 CD ARG A 56 -1.474 6.402 -7.088 1.00 52.23 C ATOM 895 NE ARG A 56 -2.205 6.612 -8.352 1.00 11.43 N ATOM 896 CZ ARG A 56 -1.913 6.006 -9.519 1.00 63.14 C ATOM 897 NH1 ARG A 56 -0.919 5.140 -9.607 1.00 11.13 N ATOM 898 NH2 ARG A 56 -2.633 6.275 -10.603 1.00 54.12 N ATOM 0 H ARG A 56 -0.583 5.333 -2.427 1.00 23.01 H new ATOM 0 HA ARG A 56 -3.188 6.272 -3.170 1.00 31.22 H new ATOM 0 HB2 ARG A 56 -1.047 6.765 -4.354 1.00 52.13 H new ATOM 0 HB3 ARG A 56 -0.897 5.072 -4.784 1.00 52.13 H new ATOM 0 HG2 ARG A 56 -3.038 5.266 -6.117 1.00 55.02 H new ATOM 0 HG3 ARG A 56 -3.074 6.979 -5.752 1.00 55.02 H new ATOM 0 HD2 ARG A 56 -0.868 7.282 -6.874 1.00 52.23 H new ATOM 0 HD3 ARG A 56 -0.788 5.563 -7.206 1.00 52.23 H new ATOM 0 HE ARG A 56 -2.989 7.264 -8.342 1.00 11.43 H new ATOM 0 HH11 ARG A 56 -0.359 4.921 -8.783 1.00 11.13 H new ATOM 0 HH12 ARG A 56 -0.712 4.690 -10.499 1.00 11.13 H new ATOM 0 HH21 ARG A 56 -3.405 6.939 -10.550 1.00 54.12 H new ATOM 0 HH22 ARG A 56 -2.413 5.817 -11.488 1.00 54.12 H new ATOM 912 N ALA A 57 -2.497 3.034 -3.478 1.00 62.32 N ATOM 913 CA ALA A 57 -3.051 1.671 -3.538 1.00 13.33 C ATOM 914 C ALA A 57 -3.966 1.389 -2.326 1.00 50.32 C ATOM 915 O ALA A 57 -4.976 0.684 -2.448 1.00 1.25 O ATOM 916 CB ALA A 57 -1.908 0.640 -3.619 1.00 21.41 C ATOM 0 H ALA A 57 -1.487 3.051 -3.337 1.00 62.32 H new ATOM 0 HA ALA A 57 -3.662 1.585 -4.437 1.00 13.33 H new ATOM 0 HB1 ALA A 57 -2.327 -0.365 -3.663 1.00 21.41 H new ATOM 0 HB2 ALA A 57 -1.314 0.825 -4.514 1.00 21.41 H new ATOM 0 HB3 ALA A 57 -1.273 0.730 -2.737 1.00 21.41 H new ATOM 922 N ALA A 58 -3.594 1.966 -1.158 1.00 3.43 N ATOM 923 CA ALA A 58 -4.391 1.890 0.086 1.00 12.10 C ATOM 924 C ALA A 58 -5.748 2.601 -0.075 1.00 63.41 C ATOM 925 O ALA A 58 -6.754 2.181 0.508 1.00 23.15 O ATOM 926 CB ALA A 58 -3.617 2.502 1.264 1.00 40.42 C ATOM 0 H ALA A 58 -2.730 2.498 -1.054 1.00 3.43 H new ATOM 0 HA ALA A 58 -4.578 0.836 0.293 1.00 12.10 H new ATOM 0 HB1 ALA A 58 -4.220 2.436 2.169 1.00 40.42 H new ATOM 0 HB2 ALA A 58 -2.684 1.957 1.409 1.00 40.42 H new ATOM 0 HB3 ALA A 58 -3.396 3.548 1.050 1.00 40.42 H new ATOM 932 N CYS A 59 -5.745 3.694 -0.861 1.00 5.22 N ATOM 933 CA CYS A 59 -6.967 4.419 -1.237 1.00 2.24 C ATOM 934 C CYS A 59 -7.807 3.551 -2.185 1.00 10.05 C ATOM 935 O CYS A 59 -8.996 3.332 -1.940 1.00 55.34 O ATOM 936 CB CYS A 59 -6.617 5.771 -1.904 1.00 54.54 C ATOM 937 SG CYS A 59 -8.042 6.837 -2.221 1.00 73.11 S ATOM 0 H CYS A 59 -4.893 4.097 -1.252 1.00 5.22 H new ATOM 0 HA CYS A 59 -7.546 4.629 -0.338 1.00 2.24 H new ATOM 0 HB2 CYS A 59 -5.913 6.306 -1.266 1.00 54.54 H new ATOM 0 HB3 CYS A 59 -6.107 5.576 -2.848 1.00 54.54 H new ATOM 0 HG CYS A 59 -7.792 8.036 -1.787 1.00 73.11 H new ATOM 943 N TYR A 60 -7.133 3.003 -3.228 1.00 13.05 N ATOM 944 CA TYR A 60 -7.773 2.193 -4.289 1.00 24.21 C ATOM 945 C TYR A 60 -8.591 1.017 -3.735 1.00 52.11 C ATOM 946 O TYR A 60 -9.684 0.759 -4.227 1.00 14.53 O ATOM 947 CB TYR A 60 -6.721 1.689 -5.322 1.00 21.42 C ATOM 948 CG TYR A 60 -6.237 2.747 -6.318 1.00 43.11 C ATOM 949 CD1 TYR A 60 -7.099 3.752 -6.779 1.00 10.24 C ATOM 950 CD2 TYR A 60 -4.937 2.722 -6.831 1.00 41.24 C ATOM 951 CE1 TYR A 60 -6.684 4.683 -7.700 1.00 23.42 C ATOM 952 CE2 TYR A 60 -4.515 3.658 -7.751 1.00 41.24 C ATOM 953 CZ TYR A 60 -5.394 4.635 -8.184 1.00 22.22 C ATOM 954 OH TYR A 60 -4.986 5.570 -9.108 1.00 34.43 O ATOM 0 H TYR A 60 -6.127 3.113 -3.355 1.00 13.05 H new ATOM 0 HA TYR A 60 -8.475 2.855 -4.795 1.00 24.21 H new ATOM 0 HB2 TYR A 60 -5.859 1.300 -4.780 1.00 21.42 H new ATOM 0 HB3 TYR A 60 -7.150 0.856 -5.879 1.00 21.42 H new ATOM 0 HD1 TYR A 60 -8.110 3.795 -6.402 1.00 10.24 H new ATOM 0 HD2 TYR A 60 -4.251 1.956 -6.501 1.00 41.24 H new ATOM 0 HE1 TYR A 60 -7.365 5.448 -8.043 1.00 23.42 H new ATOM 0 HE2 TYR A 60 -3.505 3.629 -8.131 1.00 41.24 H new ATOM 0 HH TYR A 60 -5.476 6.406 -8.965 1.00 34.43 H new ATOM 964 N THR A 61 -8.074 0.331 -2.700 1.00 34.44 N ATOM 965 CA THR A 61 -8.812 -0.769 -2.038 1.00 72.51 C ATOM 966 C THR A 61 -10.171 -0.269 -1.489 1.00 54.33 C ATOM 967 O THR A 61 -11.209 -0.910 -1.699 1.00 10.13 O ATOM 968 CB THR A 61 -7.979 -1.419 -0.885 1.00 44.13 C ATOM 969 OG1 THR A 61 -7.636 -0.439 0.103 1.00 41.24 O ATOM 970 CG2 THR A 61 -6.698 -2.085 -1.413 1.00 23.13 C ATOM 0 H THR A 61 -7.153 0.515 -2.303 1.00 34.44 H new ATOM 0 HA THR A 61 -8.992 -1.532 -2.795 1.00 72.51 H new ATOM 0 HB THR A 61 -8.603 -2.189 -0.432 1.00 44.13 H new ATOM 0 HG1 THR A 61 -7.229 0.338 -0.334 1.00 41.24 H new ATOM 0 HG21 THR A 61 -6.147 -2.525 -0.581 1.00 23.13 H new ATOM 0 HG22 THR A 61 -6.961 -2.865 -2.127 1.00 23.13 H new ATOM 0 HG23 THR A 61 -6.076 -1.338 -1.905 1.00 23.13 H new ATOM 978 N LYS A 62 -10.159 0.943 -0.875 1.00 3.21 N ATOM 979 CA LYS A 62 -11.354 1.549 -0.243 1.00 31.41 C ATOM 980 C LYS A 62 -12.398 1.932 -1.296 1.00 72.54 C ATOM 981 O LYS A 62 -13.602 1.910 -1.035 1.00 53.22 O ATOM 982 CB LYS A 62 -10.955 2.803 0.598 1.00 31.34 C ATOM 983 CG LYS A 62 -10.158 2.480 1.880 1.00 1.33 C ATOM 984 CD LYS A 62 -10.969 1.621 2.881 1.00 32.45 C ATOM 985 CE LYS A 62 -12.255 2.314 3.365 1.00 51.45 C ATOM 986 NZ LYS A 62 -13.093 1.412 4.199 1.00 70.01 N ATOM 0 H LYS A 62 -9.323 1.523 -0.806 1.00 3.21 H new ATOM 0 HA LYS A 62 -11.793 0.805 0.422 1.00 31.41 H new ATOM 0 HB2 LYS A 62 -10.362 3.471 -0.026 1.00 31.34 H new ATOM 0 HB3 LYS A 62 -11.860 3.344 0.873 1.00 31.34 H new ATOM 0 HG2 LYS A 62 -9.243 1.953 1.612 1.00 1.33 H new ATOM 0 HG3 LYS A 62 -9.860 3.411 2.363 1.00 1.33 H new ATOM 0 HD2 LYS A 62 -11.229 0.673 2.410 1.00 32.45 H new ATOM 0 HD3 LYS A 62 -10.342 1.388 3.742 1.00 32.45 H new ATOM 0 HE2 LYS A 62 -11.994 3.202 3.941 1.00 51.45 H new ATOM 0 HE3 LYS A 62 -12.832 2.651 2.504 1.00 51.45 H new ATOM 0 HZ1 LYS A 62 -13.949 1.917 4.504 1.00 70.01 H new ATOM 0 HZ2 LYS A 62 -13.364 0.577 3.642 1.00 70.01 H new ATOM 0 HZ3 LYS A 62 -12.553 1.110 5.035 1.00 70.01 H new ATOM 1000 N LEU A 63 -11.908 2.256 -2.495 1.00 72.13 N ATOM 1001 CA LEU A 63 -12.735 2.673 -3.630 1.00 61.21 C ATOM 1002 C LEU A 63 -13.104 1.467 -4.516 1.00 61.10 C ATOM 1003 O LEU A 63 -13.676 1.659 -5.596 1.00 73.22 O ATOM 1004 CB LEU A 63 -11.954 3.749 -4.435 1.00 11.32 C ATOM 1005 CG LEU A 63 -11.442 4.968 -3.602 1.00 24.22 C ATOM 1006 CD1 LEU A 63 -10.555 5.896 -4.448 1.00 52.35 C ATOM 1007 CD2 LEU A 63 -12.611 5.735 -2.943 1.00 0.32 C ATOM 0 H LEU A 63 -10.911 2.236 -2.708 1.00 72.13 H new ATOM 0 HA LEU A 63 -13.672 3.097 -3.270 1.00 61.21 H new ATOM 0 HB2 LEU A 63 -11.098 3.271 -4.912 1.00 11.32 H new ATOM 0 HB3 LEU A 63 -12.598 4.120 -5.233 1.00 11.32 H new ATOM 0 HG LEU A 63 -10.821 4.576 -2.797 1.00 24.22 H new ATOM 0 HD11 LEU A 63 -10.217 6.733 -3.837 1.00 52.35 H new ATOM 0 HD12 LEU A 63 -9.691 5.340 -4.813 1.00 52.35 H new ATOM 0 HD13 LEU A 63 -11.127 6.274 -5.295 1.00 52.35 H new ATOM 0 HD21 LEU A 63 -12.218 6.576 -2.372 1.00 0.32 H new ATOM 0 HD22 LEU A 63 -13.285 6.104 -3.716 1.00 0.32 H new ATOM 0 HD23 LEU A 63 -13.155 5.066 -2.276 1.00 0.32 H new ATOM 1019 N LEU A 64 -12.761 0.225 -4.045 1.00 32.24 N ATOM 1020 CA LEU A 64 -13.055 -1.049 -4.757 1.00 12.33 C ATOM 1021 C LEU A 64 -12.248 -1.181 -6.072 1.00 32.20 C ATOM 1022 O LEU A 64 -12.528 -2.049 -6.900 1.00 41.34 O ATOM 1023 CB LEU A 64 -14.600 -1.260 -4.992 1.00 35.51 C ATOM 1024 CG LEU A 64 -15.471 -1.650 -3.746 1.00 4.22 C ATOM 1025 CD1 LEU A 64 -15.000 -2.982 -3.127 1.00 41.23 C ATOM 1026 CD2 LEU A 64 -15.522 -0.517 -2.689 1.00 10.43 C ATOM 0 H LEU A 64 -12.273 0.088 -3.160 1.00 32.24 H new ATOM 0 HA LEU A 64 -12.725 -1.854 -4.100 1.00 12.33 H new ATOM 0 HB2 LEU A 64 -15.006 -0.340 -5.413 1.00 35.51 H new ATOM 0 HB3 LEU A 64 -14.723 -2.037 -5.746 1.00 35.51 H new ATOM 0 HG LEU A 64 -16.491 -1.793 -4.103 1.00 4.22 H new ATOM 0 HD11 LEU A 64 -15.624 -3.224 -2.266 1.00 41.23 H new ATOM 0 HD12 LEU A 64 -15.081 -3.777 -3.869 1.00 41.23 H new ATOM 0 HD13 LEU A 64 -13.962 -2.888 -2.808 1.00 41.23 H new ATOM 0 HD21 LEU A 64 -16.136 -0.833 -1.846 1.00 10.43 H new ATOM 0 HD22 LEU A 64 -14.512 -0.298 -2.341 1.00 10.43 H new ATOM 0 HD23 LEU A 64 -15.953 0.379 -3.136 1.00 10.43 H new ATOM 1038 N GLU A 65 -11.216 -0.337 -6.213 1.00 3.20 N ATOM 1039 CA GLU A 65 -10.288 -0.311 -7.357 1.00 62.12 C ATOM 1040 C GLU A 65 -9.062 -1.217 -7.073 1.00 45.51 C ATOM 1041 O GLU A 65 -7.918 -0.848 -7.383 1.00 12.13 O ATOM 1042 CB GLU A 65 -9.830 1.167 -7.593 1.00 63.40 C ATOM 1043 CG GLU A 65 -10.966 2.210 -7.734 1.00 44.12 C ATOM 1044 CD GLU A 65 -11.740 2.191 -9.067 1.00 72.12 C ATOM 1045 OE1 GLU A 65 -11.772 1.155 -9.763 1.00 3.33 O ATOM 1046 OE2 GLU A 65 -12.337 3.232 -9.419 1.00 52.22 O ATOM 0 H GLU A 65 -10.995 0.370 -5.512 1.00 3.20 H new ATOM 0 HA GLU A 65 -10.788 -0.689 -8.249 1.00 62.12 H new ATOM 0 HB2 GLU A 65 -9.189 1.466 -6.764 1.00 63.40 H new ATOM 0 HB3 GLU A 65 -9.219 1.199 -8.495 1.00 63.40 H new ATOM 0 HG2 GLU A 65 -11.677 2.056 -6.922 1.00 44.12 H new ATOM 0 HG3 GLU A 65 -10.539 3.204 -7.599 1.00 44.12 H new ATOM 1053 N PHE A 66 -9.319 -2.415 -6.504 1.00 41.24 N ATOM 1054 CA PHE A 66 -8.278 -3.393 -6.121 1.00 72.11 C ATOM 1055 C PHE A 66 -7.347 -3.756 -7.300 1.00 21.11 C ATOM 1056 O PHE A 66 -6.163 -4.008 -7.086 1.00 61.15 O ATOM 1057 CB PHE A 66 -8.915 -4.690 -5.562 1.00 14.41 C ATOM 1058 CG PHE A 66 -9.540 -4.579 -4.174 1.00 24.41 C ATOM 1059 CD1 PHE A 66 -10.848 -4.127 -4.001 1.00 54.00 C ATOM 1060 CD2 PHE A 66 -8.817 -4.951 -3.037 1.00 65.31 C ATOM 1061 CE1 PHE A 66 -11.408 -4.050 -2.740 1.00 34.13 C ATOM 1062 CE2 PHE A 66 -9.380 -4.877 -1.780 1.00 3.31 C ATOM 1063 CZ PHE A 66 -10.676 -4.425 -1.632 1.00 43.24 C ATOM 0 H PHE A 66 -10.265 -2.733 -6.296 1.00 41.24 H new ATOM 0 HA PHE A 66 -7.678 -2.913 -5.348 1.00 72.11 H new ATOM 0 HB2 PHE A 66 -9.683 -5.025 -6.260 1.00 14.41 H new ATOM 0 HB3 PHE A 66 -8.149 -5.465 -5.534 1.00 14.41 H new ATOM 0 HD1 PHE A 66 -11.430 -3.834 -4.862 1.00 54.00 H new ATOM 0 HD2 PHE A 66 -7.801 -5.302 -3.144 1.00 65.31 H new ATOM 0 HE1 PHE A 66 -12.421 -3.695 -2.621 1.00 34.13 H new ATOM 0 HE2 PHE A 66 -8.808 -5.172 -0.913 1.00 3.31 H new ATOM 0 HZ PHE A 66 -11.117 -4.365 -0.648 1.00 43.24 H new ATOM 1073 N GLN A 67 -7.900 -3.770 -8.535 1.00 34.44 N ATOM 1074 CA GLN A 67 -7.125 -4.037 -9.766 1.00 71.34 C ATOM 1075 C GLN A 67 -6.026 -2.980 -9.963 1.00 23.10 C ATOM 1076 O GLN A 67 -4.912 -3.300 -10.397 1.00 32.32 O ATOM 1077 CB GLN A 67 -8.056 -4.057 -11.009 1.00 41.21 C ATOM 1078 CG GLN A 67 -9.119 -5.170 -11.003 1.00 22.22 C ATOM 1079 CD GLN A 67 -8.517 -6.578 -10.925 1.00 15.54 C ATOM 1080 OE1 GLN A 67 -8.184 -7.185 -11.941 1.00 41.43 O ATOM 1081 NE2 GLN A 67 -8.395 -7.120 -9.725 1.00 62.14 N ATOM 0 H GLN A 67 -8.891 -3.597 -8.704 1.00 34.44 H new ATOM 0 HA GLN A 67 -6.657 -5.015 -9.656 1.00 71.34 H new ATOM 0 HB2 GLN A 67 -8.560 -3.093 -11.083 1.00 41.21 H new ATOM 0 HB3 GLN A 67 -7.442 -4.165 -11.903 1.00 41.21 H new ATOM 0 HG2 GLN A 67 -9.788 -5.020 -10.156 1.00 22.22 H new ATOM 0 HG3 GLN A 67 -9.725 -5.090 -11.906 1.00 22.22 H new ATOM 0 HE21 GLN A 67 -8.678 -6.596 -8.897 1.00 62.14 H new ATOM 0 HE22 GLN A 67 -8.017 -8.062 -9.627 1.00 62.14 H new ATOM 1090 N LEU A 68 -6.358 -1.717 -9.618 1.00 42.55 N ATOM 1091 CA LEU A 68 -5.429 -0.586 -9.738 1.00 42.21 C ATOM 1092 C LEU A 68 -4.408 -0.640 -8.592 1.00 42.31 C ATOM 1093 O LEU A 68 -3.240 -0.320 -8.785 1.00 40.43 O ATOM 1094 CB LEU A 68 -6.191 0.769 -9.734 1.00 1.20 C ATOM 1095 CG LEU A 68 -7.382 0.907 -10.735 1.00 65.14 C ATOM 1096 CD1 LEU A 68 -7.929 2.350 -10.738 1.00 34.43 C ATOM 1097 CD2 LEU A 68 -7.007 0.423 -12.157 1.00 64.32 C ATOM 0 H LEU A 68 -7.274 -1.460 -9.251 1.00 42.55 H new ATOM 0 HA LEU A 68 -4.904 -0.662 -10.690 1.00 42.21 H new ATOM 0 HB2 LEU A 68 -6.571 0.943 -8.727 1.00 1.20 H new ATOM 0 HB3 LEU A 68 -5.475 1.563 -9.946 1.00 1.20 H new ATOM 0 HG LEU A 68 -8.181 0.250 -10.391 1.00 65.14 H new ATOM 0 HD11 LEU A 68 -8.758 2.423 -11.442 1.00 34.43 H new ATOM 0 HD12 LEU A 68 -8.278 2.609 -9.738 1.00 34.43 H new ATOM 0 HD13 LEU A 68 -7.138 3.038 -11.036 1.00 34.43 H new ATOM 0 HD21 LEU A 68 -7.866 0.538 -12.819 1.00 64.32 H new ATOM 0 HD22 LEU A 68 -6.175 1.017 -12.536 1.00 64.32 H new ATOM 0 HD23 LEU A 68 -6.716 -0.627 -12.119 1.00 64.32 H new ATOM 1109 N ALA A 69 -4.881 -1.094 -7.410 1.00 24.05 N ATOM 1110 CA ALA A 69 -4.049 -1.273 -6.203 1.00 45.25 C ATOM 1111 C ALA A 69 -2.950 -2.329 -6.434 1.00 10.11 C ATOM 1112 O ALA A 69 -1.828 -2.173 -5.948 1.00 11.22 O ATOM 1113 CB ALA A 69 -4.923 -1.659 -4.994 1.00 32.52 C ATOM 0 H ALA A 69 -5.859 -1.348 -7.268 1.00 24.05 H new ATOM 0 HA ALA A 69 -3.561 -0.322 -5.990 1.00 45.25 H new ATOM 0 HB1 ALA A 69 -4.292 -1.786 -4.115 1.00 32.52 H new ATOM 0 HB2 ALA A 69 -5.652 -0.871 -4.806 1.00 32.52 H new ATOM 0 HB3 ALA A 69 -5.444 -2.593 -5.205 1.00 32.52 H new ATOM 1119 N LEU A 70 -3.300 -3.404 -7.183 1.00 25.51 N ATOM 1120 CA LEU A 70 -2.347 -4.464 -7.564 1.00 52.33 C ATOM 1121 C LEU A 70 -1.271 -3.897 -8.509 1.00 43.54 C ATOM 1122 O LEU A 70 -0.094 -3.855 -8.149 1.00 45.00 O ATOM 1123 CB LEU A 70 -3.079 -5.664 -8.244 1.00 52.55 C ATOM 1124 CG LEU A 70 -4.106 -6.454 -7.370 1.00 60.20 C ATOM 1125 CD1 LEU A 70 -4.794 -7.563 -8.193 1.00 14.20 C ATOM 1126 CD2 LEU A 70 -3.457 -7.023 -6.089 1.00 63.24 C ATOM 0 H LEU A 70 -4.245 -3.556 -7.535 1.00 25.51 H new ATOM 0 HA LEU A 70 -1.869 -4.829 -6.655 1.00 52.33 H new ATOM 0 HB2 LEU A 70 -3.601 -5.288 -9.124 1.00 52.55 H new ATOM 0 HB3 LEU A 70 -2.324 -6.366 -8.597 1.00 52.55 H new ATOM 0 HG LEU A 70 -4.872 -5.748 -7.050 1.00 60.20 H new ATOM 0 HD11 LEU A 70 -5.504 -8.098 -7.562 1.00 14.20 H new ATOM 0 HD12 LEU A 70 -5.323 -7.116 -9.035 1.00 14.20 H new ATOM 0 HD13 LEU A 70 -4.043 -8.260 -8.565 1.00 14.20 H new ATOM 0 HD21 LEU A 70 -4.206 -7.564 -5.511 1.00 63.24 H new ATOM 0 HD22 LEU A 70 -2.649 -7.702 -6.361 1.00 63.24 H new ATOM 0 HD23 LEU A 70 -3.058 -6.205 -5.489 1.00 63.24 H new ATOM 1138 N LYS A 71 -1.709 -3.402 -9.690 1.00 15.12 N ATOM 1139 CA LYS A 71 -0.789 -2.979 -10.773 1.00 22.31 C ATOM 1140 C LYS A 71 0.126 -1.803 -10.336 1.00 72.41 C ATOM 1141 O LYS A 71 1.300 -1.756 -10.725 1.00 41.55 O ATOM 1142 CB LYS A 71 -1.571 -2.616 -12.066 1.00 71.24 C ATOM 1143 CG LYS A 71 -2.483 -1.369 -11.960 1.00 43.12 C ATOM 1144 CD LYS A 71 -3.100 -0.948 -13.312 1.00 11.23 C ATOM 1145 CE LYS A 71 -3.990 -2.030 -13.941 1.00 21.45 C ATOM 1146 NZ LYS A 71 -4.553 -1.587 -15.245 1.00 2.52 N ATOM 0 H LYS A 71 -2.696 -3.285 -9.918 1.00 15.12 H new ATOM 0 HA LYS A 71 -0.144 -3.830 -10.990 1.00 22.31 H new ATOM 0 HB2 LYS A 71 -0.854 -2.454 -12.871 1.00 71.24 H new ATOM 0 HB3 LYS A 71 -2.184 -3.471 -12.352 1.00 71.24 H new ATOM 0 HG2 LYS A 71 -3.285 -1.573 -11.250 1.00 43.12 H new ATOM 0 HG3 LYS A 71 -1.905 -0.537 -11.558 1.00 43.12 H new ATOM 0 HD2 LYS A 71 -3.689 -0.042 -13.167 1.00 11.23 H new ATOM 0 HD3 LYS A 71 -2.298 -0.699 -14.007 1.00 11.23 H new ATOM 0 HE2 LYS A 71 -3.409 -2.941 -14.086 1.00 21.45 H new ATOM 0 HE3 LYS A 71 -4.803 -2.276 -13.258 1.00 21.45 H new ATOM 0 HZ1 LYS A 71 -5.148 -2.342 -15.641 1.00 2.52 H new ATOM 0 HZ2 LYS A 71 -5.128 -0.732 -15.103 1.00 2.52 H new ATOM 0 HZ3 LYS A 71 -3.777 -1.377 -15.905 1.00 2.52 H new ATOM 1160 N ASP A 72 -0.420 -0.877 -9.514 1.00 62.41 N ATOM 1161 CA ASP A 72 0.336 0.280 -8.976 1.00 11.22 C ATOM 1162 C ASP A 72 1.438 -0.215 -8.022 1.00 53.33 C ATOM 1163 O ASP A 72 2.551 0.310 -8.031 1.00 62.45 O ATOM 1164 CB ASP A 72 -0.624 1.280 -8.263 1.00 24.45 C ATOM 1165 CG ASP A 72 0.033 2.602 -7.802 1.00 14.13 C ATOM 1166 OD1 ASP A 72 0.917 3.127 -8.520 1.00 13.14 O ATOM 1167 OD2 ASP A 72 -0.361 3.145 -6.749 1.00 64.21 O ATOM 0 H ASP A 72 -1.392 -0.909 -9.206 1.00 62.41 H new ATOM 0 HA ASP A 72 0.809 0.812 -9.801 1.00 11.22 H new ATOM 0 HB2 ASP A 72 -1.445 1.517 -8.939 1.00 24.45 H new ATOM 0 HB3 ASP A 72 -1.059 0.786 -7.394 1.00 24.45 H new ATOM 1172 N CYS A 73 1.116 -1.274 -7.248 1.00 41.32 N ATOM 1173 CA CYS A 73 2.076 -1.979 -6.367 1.00 3.34 C ATOM 1174 C CYS A 73 3.140 -2.740 -7.194 1.00 70.03 C ATOM 1175 O CYS A 73 4.305 -2.829 -6.778 1.00 23.34 O ATOM 1176 CB CYS A 73 1.322 -2.959 -5.431 1.00 43.33 C ATOM 1177 SG CYS A 73 2.375 -3.955 -4.345 1.00 13.52 S ATOM 0 H CYS A 73 0.176 -1.668 -7.216 1.00 41.32 H new ATOM 0 HA CYS A 73 2.591 -1.233 -5.762 1.00 3.34 H new ATOM 0 HB2 CYS A 73 0.630 -2.386 -4.814 1.00 43.33 H new ATOM 0 HB3 CYS A 73 0.721 -3.631 -6.044 1.00 43.33 H new ATOM 0 HG CYS A 73 3.298 -3.201 -3.825 1.00 13.52 H new ATOM 1183 N GLU A 74 2.733 -3.278 -8.368 1.00 64.32 N ATOM 1184 CA GLU A 74 3.632 -4.076 -9.242 1.00 44.05 C ATOM 1185 C GLU A 74 4.669 -3.204 -9.974 1.00 42.34 C ATOM 1186 O GLU A 74 5.696 -3.720 -10.417 1.00 71.23 O ATOM 1187 CB GLU A 74 2.830 -4.936 -10.262 1.00 33.30 C ATOM 1188 CG GLU A 74 1.782 -5.889 -9.642 1.00 25.55 C ATOM 1189 CD GLU A 74 2.328 -6.760 -8.491 1.00 61.54 C ATOM 1190 OE1 GLU A 74 2.338 -6.296 -7.329 1.00 71.02 O ATOM 1191 OE2 GLU A 74 2.749 -7.914 -8.741 1.00 51.21 O ATOM 0 H GLU A 74 1.787 -3.175 -8.734 1.00 64.32 H new ATOM 0 HA GLU A 74 4.177 -4.748 -8.580 1.00 44.05 H new ATOM 0 HB2 GLU A 74 2.322 -4.267 -10.957 1.00 33.30 H new ATOM 0 HB3 GLU A 74 3.534 -5.528 -10.847 1.00 33.30 H new ATOM 0 HG2 GLU A 74 0.944 -5.299 -9.271 1.00 25.55 H new ATOM 0 HG3 GLU A 74 1.392 -6.541 -10.423 1.00 25.55 H new ATOM 1198 N GLU A 75 4.385 -1.905 -10.174 1.00 23.15 N ATOM 1199 CA GLU A 75 5.423 -0.952 -10.644 1.00 32.31 C ATOM 1200 C GLU A 75 6.153 -0.289 -9.453 1.00 44.41 C ATOM 1201 O GLU A 75 7.333 0.063 -9.561 1.00 0.13 O ATOM 1202 CB GLU A 75 4.854 0.081 -11.643 1.00 71.22 C ATOM 1203 CG GLU A 75 3.719 0.972 -11.126 1.00 52.53 C ATOM 1204 CD GLU A 75 3.195 1.924 -12.212 1.00 74.22 C ATOM 1205 OE1 GLU A 75 3.836 2.957 -12.481 1.00 2.03 O ATOM 1206 OE2 GLU A 75 2.147 1.639 -12.825 1.00 41.33 O ATOM 0 H GLU A 75 3.465 -1.490 -10.023 1.00 23.15 H new ATOM 0 HA GLU A 75 6.169 -1.523 -11.196 1.00 32.31 H new ATOM 0 HB2 GLU A 75 5.670 0.724 -11.973 1.00 71.22 H new ATOM 0 HB3 GLU A 75 4.495 -0.455 -12.522 1.00 71.22 H new ATOM 0 HG2 GLU A 75 2.902 0.346 -10.767 1.00 52.53 H new ATOM 0 HG3 GLU A 75 4.073 1.553 -10.275 1.00 52.53 H new ATOM 1213 N CYS A 76 5.449 -0.163 -8.308 1.00 73.21 N ATOM 1214 CA CYS A 76 6.010 0.408 -7.055 1.00 64.12 C ATOM 1215 C CYS A 76 7.212 -0.417 -6.537 1.00 42.24 C ATOM 1216 O CYS A 76 8.153 0.139 -5.958 1.00 2.23 O ATOM 1217 CB CYS A 76 4.909 0.491 -5.973 1.00 14.11 C ATOM 1218 SG CYS A 76 5.443 1.252 -4.434 1.00 22.11 S ATOM 0 H CYS A 76 4.475 -0.453 -8.221 1.00 73.21 H new ATOM 0 HA CYS A 76 6.373 1.411 -7.278 1.00 64.12 H new ATOM 0 HB2 CYS A 76 4.066 1.056 -6.371 1.00 14.11 H new ATOM 0 HB3 CYS A 76 4.547 -0.515 -5.761 1.00 14.11 H new ATOM 0 HG CYS A 76 5.799 0.327 -3.593 1.00 22.11 H new ATOM 1224 N ILE A 77 7.160 -1.752 -6.759 1.00 71.14 N ATOM 1225 CA ILE A 77 8.277 -2.678 -6.454 1.00 30.54 C ATOM 1226 C ILE A 77 9.459 -2.425 -7.412 1.00 65.01 C ATOM 1227 O ILE A 77 10.624 -2.579 -7.031 1.00 34.02 O ATOM 1228 CB ILE A 77 7.792 -4.192 -6.501 1.00 43.15 C ATOM 1229 CG1 ILE A 77 8.868 -5.221 -5.988 1.00 13.42 C ATOM 1230 CG2 ILE A 77 7.286 -4.581 -7.897 1.00 31.04 C ATOM 1231 CD1 ILE A 77 9.899 -5.713 -7.003 1.00 51.23 C ATOM 0 H ILE A 77 6.343 -2.217 -7.154 1.00 71.14 H new ATOM 0 HA ILE A 77 8.623 -2.484 -5.439 1.00 30.54 H new ATOM 0 HB ILE A 77 6.959 -4.249 -5.800 1.00 43.15 H new ATOM 0 HG12 ILE A 77 9.404 -4.764 -5.156 1.00 13.42 H new ATOM 0 HG13 ILE A 77 8.343 -6.090 -5.591 1.00 13.42 H new ATOM 0 HG21 ILE A 77 6.963 -5.622 -7.890 1.00 31.04 H new ATOM 0 HG22 ILE A 77 6.446 -3.943 -8.170 1.00 31.04 H new ATOM 0 HG23 ILE A 77 8.089 -4.455 -8.623 1.00 31.04 H new ATOM 0 HD11 ILE A 77 10.579 -6.415 -6.520 1.00 51.23 H new ATOM 0 HD12 ILE A 77 9.389 -6.211 -7.828 1.00 51.23 H new ATOM 0 HD13 ILE A 77 10.466 -4.865 -7.386 1.00 51.23 H new ATOM 1243 N GLN A 78 9.148 -1.998 -8.655 1.00 72.32 N ATOM 1244 CA GLN A 78 10.163 -1.761 -9.691 1.00 71.32 C ATOM 1245 C GLN A 78 10.912 -0.447 -9.394 1.00 73.44 C ATOM 1246 O GLN A 78 12.081 -0.294 -9.764 1.00 43.20 O ATOM 1247 CB GLN A 78 9.497 -1.743 -11.098 1.00 71.24 C ATOM 1248 CG GLN A 78 8.757 -3.044 -11.483 1.00 73.20 C ATOM 1249 CD GLN A 78 9.686 -4.250 -11.632 1.00 5.42 C ATOM 1250 OE1 GLN A 78 10.201 -4.522 -12.718 1.00 61.22 O ATOM 1251 NE2 GLN A 78 9.917 -4.986 -10.551 1.00 21.41 N ATOM 0 H GLN A 78 8.193 -1.811 -8.962 1.00 72.32 H new ATOM 0 HA GLN A 78 10.892 -2.571 -9.684 1.00 71.32 H new ATOM 0 HB2 GLN A 78 8.790 -0.914 -11.139 1.00 71.24 H new ATOM 0 HB3 GLN A 78 10.265 -1.544 -11.845 1.00 71.24 H new ATOM 0 HG2 GLN A 78 8.006 -3.265 -10.724 1.00 73.20 H new ATOM 0 HG3 GLN A 78 8.225 -2.887 -12.421 1.00 73.20 H new ATOM 0 HE21 GLN A 78 9.479 -4.740 -9.663 1.00 21.41 H new ATOM 0 HE22 GLN A 78 10.533 -5.797 -10.608 1.00 21.41 H new ATOM 1260 N LEU A 79 10.223 0.491 -8.708 1.00 22.32 N ATOM 1261 CA LEU A 79 10.827 1.748 -8.232 1.00 73.03 C ATOM 1262 C LEU A 79 11.711 1.461 -7.007 1.00 31.32 C ATOM 1263 O LEU A 79 12.936 1.635 -7.045 1.00 61.12 O ATOM 1264 CB LEU A 79 9.733 2.788 -7.854 1.00 14.15 C ATOM 1265 CG LEU A 79 8.749 3.211 -8.978 1.00 4.23 C ATOM 1266 CD1 LEU A 79 7.764 4.267 -8.448 1.00 34.24 C ATOM 1267 CD2 LEU A 79 9.506 3.701 -10.235 1.00 72.31 C ATOM 0 H LEU A 79 9.236 0.396 -8.471 1.00 22.32 H new ATOM 0 HA LEU A 79 11.432 2.165 -9.037 1.00 73.03 H new ATOM 0 HB2 LEU A 79 9.150 2.382 -7.027 1.00 14.15 H new ATOM 0 HB3 LEU A 79 10.230 3.684 -7.483 1.00 14.15 H new ATOM 0 HG LEU A 79 8.172 2.338 -9.284 1.00 4.23 H new ATOM 0 HD11 LEU A 79 7.078 4.557 -9.244 1.00 34.24 H new ATOM 0 HD12 LEU A 79 7.198 3.851 -7.615 1.00 34.24 H new ATOM 0 HD13 LEU A 79 8.317 5.143 -8.109 1.00 34.24 H new ATOM 0 HD21 LEU A 79 8.788 3.989 -11.003 1.00 72.31 H new ATOM 0 HD22 LEU A 79 10.125 4.560 -9.975 1.00 72.31 H new ATOM 0 HD23 LEU A 79 10.140 2.899 -10.614 1.00 72.31 H new ATOM 1279 N GLU A 80 11.058 0.970 -5.940 1.00 42.12 N ATOM 1280 CA GLU A 80 11.697 0.711 -4.644 1.00 71.33 C ATOM 1281 C GLU A 80 11.020 -0.508 -3.970 1.00 52.13 C ATOM 1282 O GLU A 80 9.920 -0.377 -3.427 1.00 0.12 O ATOM 1283 CB GLU A 80 11.622 1.983 -3.738 1.00 61.12 C ATOM 1284 CG GLU A 80 12.321 1.839 -2.366 1.00 43.31 C ATOM 1285 CD GLU A 80 13.795 1.406 -2.490 1.00 14.14 C ATOM 1286 OE1 GLU A 80 14.641 2.245 -2.851 1.00 32.43 O ATOM 1287 OE2 GLU A 80 14.107 0.217 -2.254 1.00 15.01 O ATOM 0 H GLU A 80 10.064 0.741 -5.956 1.00 42.12 H new ATOM 0 HA GLU A 80 12.751 0.479 -4.795 1.00 71.33 H new ATOM 0 HB2 GLU A 80 12.070 2.821 -4.273 1.00 61.12 H new ATOM 0 HB3 GLU A 80 10.574 2.234 -3.573 1.00 61.12 H new ATOM 0 HG2 GLU A 80 12.270 2.790 -1.835 1.00 43.31 H new ATOM 0 HG3 GLU A 80 11.782 1.108 -1.763 1.00 43.31 H new ATOM 1294 N PRO A 81 11.666 -1.719 -4.009 1.00 30.02 N ATOM 1295 CA PRO A 81 11.069 -2.976 -3.491 1.00 40.44 C ATOM 1296 C PRO A 81 11.022 -3.083 -1.945 1.00 22.44 C ATOM 1297 O PRO A 81 10.532 -4.083 -1.427 1.00 33.01 O ATOM 1298 CB PRO A 81 11.986 -4.068 -4.108 1.00 14.14 C ATOM 1299 CG PRO A 81 13.323 -3.404 -4.223 1.00 15.50 C ATOM 1300 CD PRO A 81 13.025 -1.962 -4.592 1.00 4.34 C ATOM 0 HA PRO A 81 10.017 -3.058 -3.766 1.00 40.44 H new ATOM 0 HB2 PRO A 81 12.034 -4.953 -3.473 1.00 14.14 H new ATOM 0 HB3 PRO A 81 11.618 -4.394 -5.081 1.00 14.14 H new ATOM 0 HG2 PRO A 81 13.874 -3.464 -3.284 1.00 15.50 H new ATOM 0 HG3 PRO A 81 13.937 -3.886 -4.984 1.00 15.50 H new ATOM 0 HD2 PRO A 81 13.767 -1.281 -4.175 1.00 4.34 H new ATOM 0 HD3 PRO A 81 13.029 -1.816 -5.672 1.00 4.34 H new ATOM 1308 N THR A 82 11.518 -2.070 -1.205 1.00 43.33 N ATOM 1309 CA THR A 82 11.480 -2.084 0.283 1.00 61.04 C ATOM 1310 C THR A 82 10.226 -1.362 0.830 1.00 14.33 C ATOM 1311 O THR A 82 10.157 -1.050 2.030 1.00 33.55 O ATOM 1312 CB THR A 82 12.778 -1.462 0.897 1.00 64.20 C ATOM 1313 OG1 THR A 82 12.924 -0.106 0.453 1.00 61.42 O ATOM 1314 CG2 THR A 82 14.034 -2.281 0.520 1.00 21.02 C ATOM 0 H THR A 82 11.948 -1.235 -1.604 1.00 43.33 H new ATOM 0 HA THR A 82 11.427 -3.130 0.587 1.00 61.04 H new ATOM 0 HB THR A 82 12.681 -1.483 1.982 1.00 64.20 H new ATOM 0 HG1 THR A 82 13.321 -0.096 -0.443 1.00 61.42 H new ATOM 0 HG21 THR A 82 14.916 -1.819 0.964 1.00 21.02 H new ATOM 0 HG22 THR A 82 13.930 -3.299 0.894 1.00 21.02 H new ATOM 0 HG23 THR A 82 14.142 -2.302 -0.564 1.00 21.02 H new ATOM 1322 N PHE A 83 9.222 -1.143 -0.047 1.00 20.51 N ATOM 1323 CA PHE A 83 7.996 -0.414 0.308 1.00 34.14 C ATOM 1324 C PHE A 83 7.062 -1.322 1.162 1.00 64.10 C ATOM 1325 O PHE A 83 6.338 -2.184 0.669 1.00 74.15 O ATOM 1326 CB PHE A 83 7.299 0.152 -0.969 1.00 61.03 C ATOM 1327 CG PHE A 83 6.611 -0.881 -1.864 1.00 72.22 C ATOM 1328 CD1 PHE A 83 7.335 -1.824 -2.586 1.00 52.11 C ATOM 1329 CD2 PHE A 83 5.230 -0.920 -1.948 1.00 63.13 C ATOM 1330 CE1 PHE A 83 6.696 -2.762 -3.366 1.00 64.23 C ATOM 1331 CE2 PHE A 83 4.589 -1.856 -2.732 1.00 65.22 C ATOM 1332 CZ PHE A 83 5.324 -2.779 -3.443 1.00 21.33 C ATOM 0 H PHE A 83 9.243 -1.467 -1.014 1.00 20.51 H new ATOM 0 HA PHE A 83 8.251 0.449 0.924 1.00 34.14 H new ATOM 0 HB2 PHE A 83 6.557 0.888 -0.659 1.00 61.03 H new ATOM 0 HB3 PHE A 83 8.044 0.681 -1.563 1.00 61.03 H new ATOM 0 HD1 PHE A 83 8.414 -1.821 -2.534 1.00 52.11 H new ATOM 0 HD2 PHE A 83 4.644 -0.205 -1.390 1.00 63.13 H new ATOM 0 HE1 PHE A 83 7.275 -3.487 -3.919 1.00 64.23 H new ATOM 0 HE2 PHE A 83 3.511 -1.865 -2.789 1.00 65.22 H new ATOM 0 HZ PHE A 83 4.824 -3.513 -4.058 1.00 21.33 H new ATOM 1342 N ILE A 84 7.115 -1.121 2.470 1.00 44.41 N ATOM 1343 CA ILE A 84 6.389 -1.948 3.453 1.00 64.22 C ATOM 1344 C ILE A 84 4.894 -1.585 3.464 1.00 21.13 C ATOM 1345 O ILE A 84 4.020 -2.453 3.606 1.00 72.30 O ATOM 1346 CB ILE A 84 7.024 -1.764 4.876 1.00 44.24 C ATOM 1347 CG1 ILE A 84 8.486 -2.317 4.882 1.00 0.33 C ATOM 1348 CG2 ILE A 84 6.160 -2.406 5.977 1.00 53.52 C ATOM 1349 CD1 ILE A 84 9.207 -2.192 6.209 1.00 4.53 C ATOM 0 H ILE A 84 7.666 -0.375 2.895 1.00 44.41 H new ATOM 0 HA ILE A 84 6.475 -2.997 3.169 1.00 64.22 H new ATOM 0 HB ILE A 84 7.061 -0.698 5.102 1.00 44.24 H new ATOM 0 HG12 ILE A 84 8.463 -3.368 4.594 1.00 0.33 H new ATOM 0 HG13 ILE A 84 9.062 -1.791 4.121 1.00 0.33 H new ATOM 0 HG21 ILE A 84 6.635 -2.256 6.946 1.00 53.52 H new ATOM 0 HG22 ILE A 84 5.173 -1.943 5.981 1.00 53.52 H new ATOM 0 HG23 ILE A 84 6.059 -3.474 5.784 1.00 53.52 H new ATOM 0 HD11 ILE A 84 10.213 -2.602 6.117 1.00 4.53 H new ATOM 0 HD12 ILE A 84 9.268 -1.141 6.493 1.00 4.53 H new ATOM 0 HD13 ILE A 84 8.660 -2.743 6.974 1.00 4.53 H new ATOM 1361 N LYS A 85 4.629 -0.288 3.244 1.00 1.45 N ATOM 1362 CA LYS A 85 3.278 0.295 3.289 1.00 73.30 C ATOM 1363 C LYS A 85 2.400 -0.218 2.140 1.00 62.25 C ATOM 1364 O LYS A 85 1.194 -0.001 2.163 1.00 22.34 O ATOM 1365 CB LYS A 85 3.354 1.859 3.274 1.00 2.02 C ATOM 1366 CG LYS A 85 3.804 2.510 4.606 1.00 30.23 C ATOM 1367 CD LYS A 85 5.235 2.116 5.051 1.00 64.52 C ATOM 1368 CE LYS A 85 5.513 2.476 6.515 1.00 52.41 C ATOM 1369 NZ LYS A 85 4.585 1.772 7.443 1.00 42.32 N ATOM 0 H LYS A 85 5.356 0.394 3.027 1.00 1.45 H new ATOM 0 HA LYS A 85 2.812 -0.022 4.222 1.00 73.30 H new ATOM 0 HB2 LYS A 85 4.043 2.166 2.487 1.00 2.02 H new ATOM 0 HB3 LYS A 85 2.372 2.252 3.009 1.00 2.02 H new ATOM 0 HG2 LYS A 85 3.752 3.594 4.504 1.00 30.23 H new ATOM 0 HG3 LYS A 85 3.101 2.230 5.391 1.00 30.23 H new ATOM 0 HD2 LYS A 85 5.374 1.044 4.911 1.00 64.52 H new ATOM 0 HD3 LYS A 85 5.962 2.618 4.412 1.00 64.52 H new ATOM 0 HE2 LYS A 85 6.542 2.217 6.764 1.00 52.41 H new ATOM 0 HE3 LYS A 85 5.414 3.553 6.650 1.00 52.41 H new ATOM 0 HZ1 LYS A 85 5.009 1.729 8.392 1.00 42.32 H new ATOM 0 HZ2 LYS A 85 3.683 2.288 7.490 1.00 42.32 H new ATOM 0 HZ3 LYS A 85 4.414 0.806 7.097 1.00 42.32 H new ATOM 1383 N GLY A 86 3.011 -0.861 1.123 1.00 60.22 N ATOM 1384 CA GLY A 86 2.275 -1.411 -0.020 1.00 12.32 C ATOM 1385 C GLY A 86 2.173 -2.921 0.019 1.00 53.35 C ATOM 1386 O GLY A 86 1.220 -3.478 -0.522 1.00 51.14 O ATOM 0 H GLY A 86 4.019 -1.009 1.076 1.00 60.22 H new ATOM 0 HA2 GLY A 86 1.272 -0.984 -0.040 1.00 12.32 H new ATOM 0 HA3 GLY A 86 2.769 -1.109 -0.944 1.00 12.32 H new ATOM 1390 N TYR A 87 3.164 -3.591 0.645 1.00 62.52 N ATOM 1391 CA TYR A 87 3.140 -5.053 0.819 1.00 34.21 C ATOM 1392 C TYR A 87 2.023 -5.482 1.782 1.00 13.10 C ATOM 1393 O TYR A 87 1.350 -6.487 1.544 1.00 54.52 O ATOM 1394 CB TYR A 87 4.515 -5.599 1.293 1.00 31.32 C ATOM 1395 CG TYR A 87 5.547 -5.743 0.166 1.00 64.42 C ATOM 1396 CD1 TYR A 87 5.261 -6.509 -0.969 1.00 2.30 C ATOM 1397 CD2 TYR A 87 6.794 -5.137 0.230 1.00 40.12 C ATOM 1398 CE1 TYR A 87 6.180 -6.657 -1.985 1.00 24.42 C ATOM 1399 CE2 TYR A 87 7.714 -5.283 -0.782 1.00 41.13 C ATOM 1400 CZ TYR A 87 7.405 -6.042 -1.885 1.00 11.15 C ATOM 1401 OH TYR A 87 8.330 -6.191 -2.894 1.00 70.30 O ATOM 0 H TYR A 87 3.990 -3.139 1.037 1.00 62.52 H new ATOM 0 HA TYR A 87 2.931 -5.488 -0.158 1.00 34.21 H new ATOM 0 HB2 TYR A 87 4.916 -4.933 2.057 1.00 31.32 H new ATOM 0 HB3 TYR A 87 4.367 -6.571 1.763 1.00 31.32 H new ATOM 0 HD1 TYR A 87 4.300 -6.995 -1.051 1.00 2.30 H new ATOM 0 HD2 TYR A 87 7.047 -4.538 1.092 1.00 40.12 H new ATOM 0 HE1 TYR A 87 5.939 -7.252 -2.854 1.00 24.42 H new ATOM 0 HE2 TYR A 87 8.678 -4.802 -0.710 1.00 41.13 H new ATOM 0 HH TYR A 87 9.143 -5.692 -2.669 1.00 70.30 H new ATOM 1411 N THR A 88 1.820 -4.713 2.862 1.00 2.42 N ATOM 1412 CA THR A 88 0.742 -4.980 3.823 1.00 53.22 C ATOM 1413 C THR A 88 -0.651 -4.786 3.153 1.00 21.01 C ATOM 1414 O THR A 88 -1.632 -5.453 3.516 1.00 20.30 O ATOM 1415 CB THR A 88 0.879 -4.085 5.093 1.00 3.34 C ATOM 1416 OG1 THR A 88 2.249 -4.097 5.548 1.00 63.24 O ATOM 1417 CG2 THR A 88 -0.031 -4.588 6.227 1.00 35.15 C ATOM 0 H THR A 88 2.391 -3.899 3.091 1.00 2.42 H new ATOM 0 HA THR A 88 0.827 -6.019 4.142 1.00 53.22 H new ATOM 0 HB THR A 88 0.578 -3.071 4.828 1.00 3.34 H new ATOM 0 HG1 THR A 88 2.792 -3.526 4.966 1.00 63.24 H new ATOM 0 HG21 THR A 88 0.086 -3.945 7.099 1.00 35.15 H new ATOM 0 HG22 THR A 88 -1.070 -4.567 5.897 1.00 35.15 H new ATOM 0 HG23 THR A 88 0.245 -5.609 6.489 1.00 35.15 H new ATOM 1425 N ARG A 89 -0.709 -3.879 2.143 1.00 53.42 N ATOM 1426 CA ARG A 89 -1.916 -3.667 1.313 1.00 22.22 C ATOM 1427 C ARG A 89 -2.093 -4.834 0.332 1.00 62.41 C ATOM 1428 O ARG A 89 -3.207 -5.310 0.119 1.00 55.31 O ATOM 1429 CB ARG A 89 -1.837 -2.334 0.510 1.00 52.33 C ATOM 1430 CG ARG A 89 -1.539 -1.061 1.327 1.00 45.10 C ATOM 1431 CD ARG A 89 -2.560 -0.752 2.438 1.00 53.14 C ATOM 1432 NE ARG A 89 -2.346 -1.546 3.664 1.00 42.44 N ATOM 1433 CZ ARG A 89 -1.813 -1.086 4.811 1.00 72.15 C ATOM 1434 NH1 ARG A 89 -1.400 0.178 4.923 1.00 40.33 N ATOM 1435 NH2 ARG A 89 -1.748 -1.886 5.864 1.00 12.05 N ATOM 0 H ARG A 89 0.075 -3.280 1.885 1.00 53.42 H new ATOM 0 HA ARG A 89 -2.770 -3.612 1.988 1.00 22.22 H new ATOM 0 HB2 ARG A 89 -1.066 -2.439 -0.253 1.00 52.33 H new ATOM 0 HB3 ARG A 89 -2.784 -2.192 -0.011 1.00 52.33 H new ATOM 0 HG2 ARG A 89 -0.551 -1.159 1.778 1.00 45.10 H new ATOM 0 HG3 ARG A 89 -1.496 -0.211 0.646 1.00 45.10 H new ATOM 0 HD2 ARG A 89 -2.507 0.308 2.686 1.00 53.14 H new ATOM 0 HD3 ARG A 89 -3.565 -0.942 2.061 1.00 53.14 H new ATOM 0 HE ARG A 89 -2.626 -2.527 3.640 1.00 42.44 H new ATOM 0 HH11 ARG A 89 -1.486 0.815 4.131 1.00 40.33 H new ATOM 0 HH12 ARG A 89 -0.999 0.508 5.801 1.00 40.33 H new ATOM 0 HH21 ARG A 89 -2.100 -2.841 5.801 1.00 12.05 H new ATOM 0 HH22 ARG A 89 -1.346 -1.547 6.738 1.00 12.05 H new ATOM 1449 N LYS A 90 -0.954 -5.284 -0.235 1.00 71.23 N ATOM 1450 CA LYS A 90 -0.893 -6.316 -1.282 1.00 31.32 C ATOM 1451 C LYS A 90 -1.385 -7.668 -0.744 1.00 71.10 C ATOM 1452 O LYS A 90 -2.082 -8.391 -1.450 1.00 13.21 O ATOM 1453 CB LYS A 90 0.563 -6.443 -1.822 1.00 2.55 C ATOM 1454 CG LYS A 90 0.745 -7.474 -2.960 1.00 40.13 C ATOM 1455 CD LYS A 90 -0.001 -7.086 -4.260 1.00 53.33 C ATOM 1456 CE LYS A 90 0.149 -8.153 -5.363 1.00 10.44 C ATOM 1457 NZ LYS A 90 1.574 -8.444 -5.675 1.00 3.24 N ATOM 0 H LYS A 90 -0.035 -4.931 0.030 1.00 71.23 H new ATOM 0 HA LYS A 90 -1.548 -6.018 -2.100 1.00 31.32 H new ATOM 0 HB2 LYS A 90 0.889 -5.466 -2.180 1.00 2.55 H new ATOM 0 HB3 LYS A 90 1.220 -6.715 -0.996 1.00 2.55 H new ATOM 0 HG2 LYS A 90 1.808 -7.582 -3.177 1.00 40.13 H new ATOM 0 HG3 LYS A 90 0.389 -8.447 -2.621 1.00 40.13 H new ATOM 0 HD2 LYS A 90 -1.059 -6.941 -4.040 1.00 53.33 H new ATOM 0 HD3 LYS A 90 0.382 -6.133 -4.625 1.00 53.33 H new ATOM 0 HE2 LYS A 90 -0.347 -9.071 -5.047 1.00 10.44 H new ATOM 0 HE3 LYS A 90 -0.356 -7.812 -6.267 1.00 10.44 H new ATOM 0 HZ1 LYS A 90 1.627 -9.214 -6.372 1.00 3.24 H new ATOM 0 HZ2 LYS A 90 2.025 -7.592 -6.065 1.00 3.24 H new ATOM 0 HZ3 LYS A 90 2.068 -8.730 -4.806 1.00 3.24 H new ATOM 1471 N ALA A 91 -1.020 -7.982 0.512 1.00 10.11 N ATOM 1472 CA ALA A 91 -1.432 -9.225 1.186 1.00 65.30 C ATOM 1473 C ALA A 91 -2.962 -9.266 1.372 1.00 53.24 C ATOM 1474 O ALA A 91 -3.614 -10.248 1.002 1.00 1.40 O ATOM 1475 CB ALA A 91 -0.703 -9.358 2.536 1.00 54.11 C ATOM 0 H ALA A 91 -0.431 -7.381 1.088 1.00 10.11 H new ATOM 0 HA ALA A 91 -1.154 -10.073 0.560 1.00 65.30 H new ATOM 0 HB1 ALA A 91 -1.013 -10.280 3.028 1.00 54.11 H new ATOM 0 HB2 ALA A 91 0.374 -9.381 2.367 1.00 54.11 H new ATOM 0 HB3 ALA A 91 -0.953 -8.507 3.170 1.00 54.11 H new ATOM 1481 N ALA A 92 -3.524 -8.161 1.895 1.00 4.42 N ATOM 1482 CA ALA A 92 -4.973 -8.032 2.143 1.00 14.24 C ATOM 1483 C ALA A 92 -5.769 -7.895 0.823 1.00 23.22 C ATOM 1484 O ALA A 92 -6.959 -8.231 0.769 1.00 12.44 O ATOM 1485 CB ALA A 92 -5.247 -6.849 3.077 1.00 2.45 C ATOM 0 H ALA A 92 -2.988 -7.334 2.157 1.00 4.42 H new ATOM 0 HA ALA A 92 -5.314 -8.946 2.629 1.00 14.24 H new ATOM 0 HB1 ALA A 92 -6.320 -6.764 3.252 1.00 2.45 H new ATOM 0 HB2 ALA A 92 -4.736 -7.009 4.026 1.00 2.45 H new ATOM 0 HB3 ALA A 92 -4.881 -5.931 2.618 1.00 2.45 H new ATOM 1491 N ALA A 93 -5.097 -7.405 -0.240 1.00 32.14 N ATOM 1492 CA ALA A 93 -5.683 -7.314 -1.588 1.00 14.12 C ATOM 1493 C ALA A 93 -5.798 -8.720 -2.189 1.00 33.34 C ATOM 1494 O ALA A 93 -6.857 -9.102 -2.687 1.00 31.53 O ATOM 1495 CB ALA A 93 -4.850 -6.392 -2.496 1.00 64.44 C ATOM 0 H ALA A 93 -4.137 -7.064 -0.186 1.00 32.14 H new ATOM 0 HA ALA A 93 -6.678 -6.877 -1.511 1.00 14.12 H new ATOM 0 HB1 ALA A 93 -5.307 -6.345 -3.484 1.00 64.44 H new ATOM 0 HB2 ALA A 93 -4.814 -5.392 -2.064 1.00 64.44 H new ATOM 0 HB3 ALA A 93 -3.837 -6.786 -2.583 1.00 64.44 H new ATOM 1501 N LEU A 94 -4.697 -9.498 -2.071 1.00 15.42 N ATOM 1502 CA LEU A 94 -4.632 -10.901 -2.530 1.00 44.24 C ATOM 1503 C LEU A 94 -5.610 -11.783 -1.747 1.00 73.34 C ATOM 1504 O LEU A 94 -6.148 -12.744 -2.298 1.00 53.11 O ATOM 1505 CB LEU A 94 -3.186 -11.457 -2.419 1.00 13.23 C ATOM 1506 CG LEU A 94 -2.164 -10.873 -3.441 1.00 13.42 C ATOM 1507 CD1 LEU A 94 -0.738 -11.375 -3.160 1.00 50.12 C ATOM 1508 CD2 LEU A 94 -2.595 -11.172 -4.893 1.00 71.23 C ATOM 0 H LEU A 94 -3.827 -9.167 -1.653 1.00 15.42 H new ATOM 0 HA LEU A 94 -4.924 -10.920 -3.580 1.00 44.24 H new ATOM 0 HB2 LEU A 94 -2.817 -11.264 -1.412 1.00 13.23 H new ATOM 0 HB3 LEU A 94 -3.221 -12.539 -2.544 1.00 13.23 H new ATOM 0 HG LEU A 94 -2.155 -9.790 -3.317 1.00 13.42 H new ATOM 0 HD11 LEU A 94 -0.051 -10.948 -3.891 1.00 50.12 H new ATOM 0 HD12 LEU A 94 -0.436 -11.071 -2.158 1.00 50.12 H new ATOM 0 HD13 LEU A 94 -0.714 -12.462 -3.232 1.00 50.12 H new ATOM 0 HD21 LEU A 94 -1.863 -10.753 -5.583 1.00 71.23 H new ATOM 0 HD22 LEU A 94 -2.656 -12.250 -5.040 1.00 71.23 H new ATOM 0 HD23 LEU A 94 -3.571 -10.724 -5.082 1.00 71.23 H new ATOM 1520 N GLU A 95 -5.854 -11.432 -0.469 1.00 70.22 N ATOM 1521 CA GLU A 95 -6.925 -12.046 0.337 1.00 14.25 C ATOM 1522 C GLU A 95 -8.292 -11.881 -0.373 1.00 30.12 C ATOM 1523 O GLU A 95 -9.086 -12.828 -0.453 1.00 61.20 O ATOM 1524 CB GLU A 95 -6.973 -11.431 1.766 1.00 12.23 C ATOM 1525 CG GLU A 95 -8.172 -11.917 2.610 1.00 25.14 C ATOM 1526 CD GLU A 95 -8.239 -11.355 4.027 1.00 21.12 C ATOM 1527 OE1 GLU A 95 -8.334 -10.119 4.182 1.00 1.14 O ATOM 1528 OE2 GLU A 95 -8.247 -12.155 4.992 1.00 62.44 O ATOM 0 H GLU A 95 -5.319 -10.721 0.029 1.00 70.22 H new ATOM 0 HA GLU A 95 -6.709 -13.110 0.438 1.00 14.25 H new ATOM 0 HB2 GLU A 95 -6.049 -11.676 2.289 1.00 12.23 H new ATOM 0 HB3 GLU A 95 -7.014 -10.345 1.684 1.00 12.23 H new ATOM 0 HG2 GLU A 95 -9.093 -11.655 2.089 1.00 25.14 H new ATOM 0 HG3 GLU A 95 -8.137 -13.005 2.669 1.00 25.14 H new ATOM 1535 N ALA A 96 -8.514 -10.686 -0.967 1.00 40.42 N ATOM 1536 CA ALA A 96 -9.762 -10.358 -1.680 1.00 53.42 C ATOM 1537 C ALA A 96 -9.737 -10.938 -3.114 1.00 44.32 C ATOM 1538 O ALA A 96 -10.697 -10.767 -3.874 1.00 45.20 O ATOM 1539 CB ALA A 96 -9.972 -8.826 -1.699 1.00 33.44 C ATOM 0 H ALA A 96 -7.833 -9.927 -0.964 1.00 40.42 H new ATOM 0 HA ALA A 96 -10.602 -10.812 -1.154 1.00 53.42 H new ATOM 0 HB1 ALA A 96 -10.896 -8.592 -2.228 1.00 33.44 H new ATOM 0 HB2 ALA A 96 -10.035 -8.455 -0.676 1.00 33.44 H new ATOM 0 HB3 ALA A 96 -9.133 -8.350 -2.207 1.00 33.44 H new ATOM 1545 N MET A 97 -8.620 -11.615 -3.483 1.00 63.43 N ATOM 1546 CA MET A 97 -8.468 -12.317 -4.777 1.00 71.15 C ATOM 1547 C MET A 97 -8.454 -13.845 -4.562 1.00 20.23 C ATOM 1548 O MET A 97 -8.174 -14.593 -5.503 1.00 50.34 O ATOM 1549 CB MET A 97 -7.153 -11.873 -5.476 1.00 62.25 C ATOM 1550 CG MET A 97 -7.049 -10.373 -5.717 1.00 32.45 C ATOM 1551 SD MET A 97 -8.494 -9.725 -6.572 1.00 5.32 S ATOM 1552 CE MET A 97 -8.158 -7.974 -6.514 1.00 42.31 C ATOM 0 H MET A 97 -7.797 -11.688 -2.886 1.00 63.43 H new ATOM 0 HA MET A 97 -9.315 -12.058 -5.412 1.00 71.15 H new ATOM 0 HB2 MET A 97 -6.306 -12.191 -4.868 1.00 62.25 H new ATOM 0 HB3 MET A 97 -7.071 -12.390 -6.432 1.00 62.25 H new ATOM 0 HG2 MET A 97 -6.932 -9.860 -4.762 1.00 32.45 H new ATOM 0 HG3 MET A 97 -6.155 -10.161 -6.304 1.00 32.45 H new ATOM 0 HE1 MET A 97 -9.095 -7.421 -6.580 1.00 42.31 H new ATOM 0 HE2 MET A 97 -7.658 -7.730 -5.577 1.00 42.31 H new ATOM 0 HE3 MET A 97 -7.515 -7.699 -7.350 1.00 42.31 H new ATOM 1562 N LYS A 98 -8.727 -14.278 -3.300 1.00 13.35 N ATOM 1563 CA LYS A 98 -8.720 -15.704 -2.866 1.00 21.04 C ATOM 1564 C LYS A 98 -7.301 -16.321 -2.886 1.00 32.42 C ATOM 1565 O LYS A 98 -7.137 -17.528 -2.687 1.00 20.53 O ATOM 1566 CB LYS A 98 -9.719 -16.572 -3.705 1.00 44.32 C ATOM 1567 CG LYS A 98 -11.189 -16.080 -3.691 1.00 41.10 C ATOM 1568 CD LYS A 98 -11.821 -16.051 -2.278 1.00 32.45 C ATOM 1569 CE LYS A 98 -11.900 -17.442 -1.612 1.00 13.03 C ATOM 1570 NZ LYS A 98 -12.773 -18.386 -2.351 1.00 71.11 N ATOM 0 H LYS A 98 -8.962 -13.635 -2.543 1.00 13.35 H new ATOM 0 HA LYS A 98 -9.059 -15.709 -1.830 1.00 21.04 H new ATOM 0 HB2 LYS A 98 -9.372 -16.601 -4.738 1.00 44.32 H new ATOM 0 HB3 LYS A 98 -9.691 -17.595 -3.330 1.00 44.32 H new ATOM 0 HG2 LYS A 98 -11.232 -15.079 -4.119 1.00 41.10 H new ATOM 0 HG3 LYS A 98 -11.786 -16.727 -4.333 1.00 41.10 H new ATOM 0 HD2 LYS A 98 -11.239 -15.384 -1.642 1.00 32.45 H new ATOM 0 HD3 LYS A 98 -12.825 -15.631 -2.346 1.00 32.45 H new ATOM 0 HE2 LYS A 98 -10.897 -17.863 -1.540 1.00 13.03 H new ATOM 0 HE3 LYS A 98 -12.273 -17.331 -0.594 1.00 13.03 H new ATOM 0 HZ1 LYS A 98 -12.815 -19.291 -1.841 1.00 71.11 H new ATOM 0 HZ2 LYS A 98 -13.730 -17.986 -2.427 1.00 71.11 H new ATOM 0 HZ3 LYS A 98 -12.386 -18.543 -3.304 1.00 71.11 H new ATOM 1584 N ASP A 99 -6.283 -15.468 -3.084 1.00 21.45 N ATOM 1585 CA ASP A 99 -4.865 -15.859 -3.197 1.00 4.24 C ATOM 1586 C ASP A 99 -4.166 -15.772 -1.835 1.00 15.33 C ATOM 1587 O ASP A 99 -3.050 -15.263 -1.739 1.00 74.11 O ATOM 1588 CB ASP A 99 -4.153 -14.943 -4.244 1.00 42.42 C ATOM 1589 CG ASP A 99 -4.568 -15.226 -5.694 1.00 43.13 C ATOM 1590 OD1 ASP A 99 -4.306 -16.346 -6.177 1.00 32.13 O ATOM 1591 OD2 ASP A 99 -5.132 -14.337 -6.364 1.00 23.33 O ATOM 0 H ASP A 99 -6.425 -14.462 -3.172 1.00 21.45 H new ATOM 0 HA ASP A 99 -4.808 -16.894 -3.533 1.00 4.24 H new ATOM 0 HB2 ASP A 99 -4.371 -13.901 -4.010 1.00 42.42 H new ATOM 0 HB3 ASP A 99 -3.074 -15.072 -4.152 1.00 42.42 H new ATOM 1596 N TYR A 100 -4.829 -16.306 -0.799 1.00 32.22 N ATOM 1597 CA TYR A 100 -4.328 -16.357 0.597 1.00 65.55 C ATOM 1598 C TYR A 100 -2.894 -16.923 0.700 1.00 45.14 C ATOM 1599 O TYR A 100 -2.098 -16.463 1.529 1.00 44.44 O ATOM 1600 CB TYR A 100 -5.276 -17.230 1.451 1.00 44.41 C ATOM 1601 CG TYR A 100 -6.760 -16.882 1.298 1.00 43.34 C ATOM 1602 CD1 TYR A 100 -7.215 -15.601 1.574 1.00 41.24 C ATOM 1603 CD2 TYR A 100 -7.698 -17.826 0.879 1.00 53.15 C ATOM 1604 CE1 TYR A 100 -8.539 -15.279 1.441 1.00 64.24 C ATOM 1605 CE2 TYR A 100 -9.029 -17.501 0.742 1.00 45.32 C ATOM 1606 CZ TYR A 100 -9.444 -16.224 1.030 1.00 14.23 C ATOM 1607 OH TYR A 100 -10.773 -15.893 0.925 1.00 40.22 O ATOM 0 H TYR A 100 -5.752 -16.727 -0.903 1.00 32.22 H new ATOM 0 HA TYR A 100 -4.302 -15.331 0.965 1.00 65.55 H new ATOM 0 HB2 TYR A 100 -5.130 -18.276 1.181 1.00 44.41 H new ATOM 0 HB3 TYR A 100 -4.997 -17.130 2.500 1.00 44.41 H new ATOM 0 HD1 TYR A 100 -6.514 -14.846 1.899 1.00 41.24 H new ATOM 0 HD2 TYR A 100 -7.374 -18.832 0.658 1.00 53.15 H new ATOM 0 HE1 TYR A 100 -8.873 -14.276 1.661 1.00 64.24 H new ATOM 0 HE2 TYR A 100 -9.740 -18.244 0.411 1.00 45.32 H new ATOM 0 HH TYR A 100 -10.857 -14.942 0.703 1.00 40.22 H new ATOM 1617 N THR A 101 -2.594 -17.925 -0.144 1.00 50.54 N ATOM 1618 CA THR A 101 -1.266 -18.545 -0.232 1.00 52.31 C ATOM 1619 C THR A 101 -0.212 -17.552 -0.756 1.00 63.40 C ATOM 1620 O THR A 101 0.934 -17.556 -0.307 1.00 24.41 O ATOM 1621 CB THR A 101 -1.307 -19.799 -1.154 1.00 64.22 C ATOM 1622 OG1 THR A 101 -1.866 -19.433 -2.432 1.00 74.25 O ATOM 1623 CG2 THR A 101 -2.141 -20.930 -0.534 1.00 22.22 C ATOM 0 H THR A 101 -3.274 -18.329 -0.788 1.00 50.54 H new ATOM 0 HA THR A 101 -0.981 -18.847 0.776 1.00 52.31 H new ATOM 0 HB THR A 101 -0.287 -20.163 -1.278 1.00 64.22 H new ATOM 0 HG1 THR A 101 -2.025 -20.241 -2.963 1.00 74.25 H new ATOM 0 HG21 THR A 101 -2.147 -21.788 -1.206 1.00 22.22 H new ATOM 0 HG22 THR A 101 -1.706 -21.221 0.422 1.00 22.22 H new ATOM 0 HG23 THR A 101 -3.163 -20.585 -0.378 1.00 22.22 H new ATOM 1631 N LYS A 102 -0.621 -16.695 -1.702 1.00 0.14 N ATOM 1632 CA LYS A 102 0.269 -15.681 -2.306 1.00 34.10 C ATOM 1633 C LYS A 102 0.375 -14.472 -1.372 1.00 75.12 C ATOM 1634 O LYS A 102 1.386 -13.775 -1.350 1.00 22.24 O ATOM 1635 CB LYS A 102 -0.272 -15.262 -3.704 1.00 55.11 C ATOM 1636 CG LYS A 102 -0.748 -16.454 -4.566 1.00 73.31 C ATOM 1637 CD LYS A 102 0.303 -17.589 -4.694 1.00 41.33 C ATOM 1638 CE LYS A 102 -0.310 -18.884 -5.237 1.00 55.34 C ATOM 1639 NZ LYS A 102 0.680 -19.991 -5.288 1.00 32.24 N ATOM 0 H LYS A 102 -1.572 -16.681 -2.072 1.00 0.14 H new ATOM 0 HA LYS A 102 1.265 -16.103 -2.442 1.00 34.10 H new ATOM 0 HB2 LYS A 102 -1.101 -14.567 -3.570 1.00 55.11 H new ATOM 0 HB3 LYS A 102 0.510 -14.725 -4.241 1.00 55.11 H new ATOM 0 HG2 LYS A 102 -1.661 -16.863 -4.133 1.00 73.31 H new ATOM 0 HG3 LYS A 102 -1.002 -16.092 -5.562 1.00 73.31 H new ATOM 0 HD2 LYS A 102 1.107 -17.265 -5.354 1.00 41.33 H new ATOM 0 HD3 LYS A 102 0.749 -17.781 -3.718 1.00 41.33 H new ATOM 0 HE2 LYS A 102 -1.151 -19.178 -4.609 1.00 55.34 H new ATOM 0 HE3 LYS A 102 -0.706 -18.706 -6.237 1.00 55.34 H new ATOM 0 HZ1 LYS A 102 0.224 -20.848 -5.661 1.00 32.24 H new ATOM 0 HZ2 LYS A 102 1.470 -19.722 -5.908 1.00 32.24 H new ATOM 0 HZ3 LYS A 102 1.040 -20.179 -4.331 1.00 32.24 H new ATOM 1653 N ALA A 103 -0.697 -14.259 -0.590 1.00 5.40 N ATOM 1654 CA ALA A 103 -0.786 -13.192 0.409 1.00 34.14 C ATOM 1655 C ALA A 103 0.233 -13.432 1.526 1.00 4.32 C ATOM 1656 O ALA A 103 1.006 -12.534 1.874 1.00 22.13 O ATOM 1657 CB ALA A 103 -2.206 -13.116 0.988 1.00 20.25 C ATOM 0 H ALA A 103 -1.537 -14.835 -0.639 1.00 5.40 H new ATOM 0 HA ALA A 103 -0.560 -12.241 -0.074 1.00 34.14 H new ATOM 0 HB1 ALA A 103 -2.255 -12.318 1.729 1.00 20.25 H new ATOM 0 HB2 ALA A 103 -2.915 -12.911 0.186 1.00 20.25 H new ATOM 0 HB3 ALA A 103 -2.458 -14.065 1.461 1.00 20.25 H new ATOM 1663 N MET A 104 0.252 -14.685 2.037 1.00 51.20 N ATOM 1664 CA MET A 104 1.153 -15.092 3.130 1.00 64.34 C ATOM 1665 C MET A 104 2.629 -15.051 2.687 1.00 65.54 C ATOM 1666 O MET A 104 3.521 -14.887 3.523 1.00 5.43 O ATOM 1667 CB MET A 104 0.779 -16.490 3.689 1.00 62.11 C ATOM 1668 CG MET A 104 1.087 -17.693 2.795 1.00 23.11 C ATOM 1669 SD MET A 104 0.610 -19.265 3.555 1.00 21.54 S ATOM 1670 CE MET A 104 -1.154 -19.047 3.812 1.00 24.54 C ATOM 0 H MET A 104 -0.354 -15.434 1.703 1.00 51.20 H new ATOM 0 HA MET A 104 1.026 -14.370 3.937 1.00 64.34 H new ATOM 0 HB2 MET A 104 1.300 -16.628 4.636 1.00 62.11 H new ATOM 0 HB3 MET A 104 -0.289 -16.494 3.909 1.00 62.11 H new ATOM 0 HG2 MET A 104 0.564 -17.579 1.846 1.00 23.11 H new ATOM 0 HG3 MET A 104 2.154 -17.711 2.571 1.00 23.11 H new ATOM 0 HE1 MET A 104 -1.628 -20.022 3.930 1.00 24.54 H new ATOM 0 HE2 MET A 104 -1.320 -18.451 4.710 1.00 24.54 H new ATOM 0 HE3 MET A 104 -1.587 -18.536 2.952 1.00 24.54 H new ATOM 1680 N ASP A 105 2.877 -15.202 1.364 1.00 54.52 N ATOM 1681 CA ASP A 105 4.210 -14.973 0.773 1.00 13.32 C ATOM 1682 C ASP A 105 4.610 -13.502 0.958 1.00 13.43 C ATOM 1683 O ASP A 105 5.741 -13.210 1.341 1.00 35.22 O ATOM 1684 CB ASP A 105 4.256 -15.327 -0.742 1.00 62.23 C ATOM 1685 CG ASP A 105 4.191 -16.833 -1.036 1.00 62.24 C ATOM 1686 OD1 ASP A 105 5.003 -17.589 -0.454 1.00 2.11 O ATOM 1687 OD2 ASP A 105 3.360 -17.265 -1.870 1.00 34.23 O ATOM 0 H ASP A 105 2.167 -15.482 0.687 1.00 54.52 H new ATOM 0 HA ASP A 105 4.910 -15.630 1.290 1.00 13.32 H new ATOM 0 HB2 ASP A 105 3.425 -14.833 -1.245 1.00 62.23 H new ATOM 0 HB3 ASP A 105 5.173 -14.923 -1.171 1.00 62.23 H new ATOM 1692 N VAL A 106 3.636 -12.591 0.732 1.00 52.15 N ATOM 1693 CA VAL A 106 3.860 -11.133 0.782 1.00 61.31 C ATOM 1694 C VAL A 106 4.042 -10.668 2.249 1.00 31.54 C ATOM 1695 O VAL A 106 4.815 -9.742 2.529 1.00 41.13 O ATOM 1696 CB VAL A 106 2.666 -10.368 0.088 1.00 12.30 C ATOM 1697 CG1 VAL A 106 2.831 -8.845 0.202 1.00 33.25 C ATOM 1698 CG2 VAL A 106 2.531 -10.802 -1.391 1.00 4.41 C ATOM 0 H VAL A 106 2.674 -12.849 0.510 1.00 52.15 H new ATOM 0 HA VAL A 106 4.773 -10.898 0.235 1.00 61.31 H new ATOM 0 HB VAL A 106 1.748 -10.636 0.611 1.00 12.30 H new ATOM 0 HG11 VAL A 106 1.991 -8.350 -0.287 1.00 33.25 H new ATOM 0 HG12 VAL A 106 2.858 -8.560 1.254 1.00 33.25 H new ATOM 0 HG13 VAL A 106 3.761 -8.543 -0.280 1.00 33.25 H new ATOM 0 HG21 VAL A 106 1.703 -10.265 -1.854 1.00 4.41 H new ATOM 0 HG22 VAL A 106 3.454 -10.573 -1.923 1.00 4.41 H new ATOM 0 HG23 VAL A 106 2.340 -11.874 -1.440 1.00 4.41 H new ATOM 1708 N TYR A 107 3.330 -11.360 3.166 1.00 22.31 N ATOM 1709 CA TYR A 107 3.428 -11.160 4.631 1.00 11.45 C ATOM 1710 C TYR A 107 4.869 -11.451 5.121 1.00 61.01 C ATOM 1711 O TYR A 107 5.482 -10.638 5.833 1.00 35.30 O ATOM 1712 CB TYR A 107 2.362 -12.079 5.358 1.00 40.23 C ATOM 1713 CG TYR A 107 2.838 -12.778 6.653 1.00 24.02 C ATOM 1714 CD1 TYR A 107 2.873 -12.104 7.871 1.00 63.23 C ATOM 1715 CD2 TYR A 107 3.286 -14.108 6.641 1.00 61.01 C ATOM 1716 CE1 TYR A 107 3.318 -12.728 9.017 1.00 51.23 C ATOM 1717 CE2 TYR A 107 3.739 -14.730 7.786 1.00 32.43 C ATOM 1718 CZ TYR A 107 3.756 -14.033 8.972 1.00 64.33 C ATOM 1719 OH TYR A 107 4.204 -14.641 10.127 1.00 14.44 O ATOM 0 H TYR A 107 2.661 -12.084 2.906 1.00 22.31 H new ATOM 0 HA TYR A 107 3.208 -10.121 4.877 1.00 11.45 H new ATOM 0 HB2 TYR A 107 1.490 -11.470 5.597 1.00 40.23 H new ATOM 0 HB3 TYR A 107 2.033 -12.845 4.656 1.00 40.23 H new ATOM 0 HD1 TYR A 107 2.546 -11.076 7.919 1.00 63.23 H new ATOM 0 HD2 TYR A 107 3.276 -14.658 5.712 1.00 61.01 H new ATOM 0 HE1 TYR A 107 3.323 -12.191 9.954 1.00 51.23 H new ATOM 0 HE2 TYR A 107 4.077 -15.755 7.752 1.00 32.43 H new ATOM 0 HH TYR A 107 4.477 -15.561 9.928 1.00 14.44 H new ATOM 1729 N GLN A 108 5.382 -12.634 4.720 1.00 45.21 N ATOM 1730 CA GLN A 108 6.698 -13.140 5.141 1.00 5.11 C ATOM 1731 C GLN A 108 7.784 -12.203 4.598 1.00 52.52 C ATOM 1732 O GLN A 108 8.692 -11.796 5.327 1.00 51.34 O ATOM 1733 CB GLN A 108 6.877 -14.609 4.635 1.00 25.34 C ATOM 1734 CG GLN A 108 8.007 -15.431 5.309 1.00 12.33 C ATOM 1735 CD GLN A 108 9.413 -15.136 4.772 1.00 61.23 C ATOM 1736 OE1 GLN A 108 9.871 -15.757 3.817 1.00 33.41 O ATOM 1737 NE2 GLN A 108 10.101 -14.178 5.369 1.00 20.31 N ATOM 0 H GLN A 108 4.888 -13.266 4.090 1.00 45.21 H new ATOM 0 HA GLN A 108 6.779 -13.158 6.228 1.00 5.11 H new ATOM 0 HB2 GLN A 108 5.935 -15.138 4.779 1.00 25.34 H new ATOM 0 HB3 GLN A 108 7.066 -14.581 3.562 1.00 25.34 H new ATOM 0 HG2 GLN A 108 7.992 -15.235 6.381 1.00 12.33 H new ATOM 0 HG3 GLN A 108 7.796 -16.492 5.176 1.00 12.33 H new ATOM 0 HE21 GLN A 108 9.697 -13.677 6.161 1.00 20.31 H new ATOM 0 HE22 GLN A 108 11.036 -13.939 5.038 1.00 20.31 H new ATOM 1746 N LYS A 109 7.637 -11.842 3.315 1.00 61.44 N ATOM 1747 CA LYS A 109 8.539 -10.918 2.627 1.00 10.21 C ATOM 1748 C LYS A 109 8.495 -9.505 3.232 1.00 52.43 C ATOM 1749 O LYS A 109 9.518 -8.809 3.239 1.00 11.31 O ATOM 1750 CB LYS A 109 8.223 -10.897 1.105 1.00 31.23 C ATOM 1751 CG LYS A 109 8.571 -12.216 0.378 1.00 13.35 C ATOM 1752 CD LYS A 109 10.056 -12.620 0.542 1.00 55.14 C ATOM 1753 CE LYS A 109 11.021 -11.562 -0.019 1.00 14.03 C ATOM 1754 NZ LYS A 109 12.443 -11.942 0.161 1.00 74.24 N ATOM 0 H LYS A 109 6.881 -12.188 2.724 1.00 61.44 H new ATOM 0 HA LYS A 109 9.558 -11.279 2.766 1.00 10.21 H new ATOM 0 HB2 LYS A 109 7.163 -10.685 0.966 1.00 31.23 H new ATOM 0 HB3 LYS A 109 8.775 -10.080 0.640 1.00 31.23 H new ATOM 0 HG2 LYS A 109 7.938 -13.015 0.763 1.00 13.35 H new ATOM 0 HG3 LYS A 109 8.343 -12.111 -0.683 1.00 13.35 H new ATOM 0 HD2 LYS A 109 10.271 -12.779 1.599 1.00 55.14 H new ATOM 0 HD3 LYS A 109 10.229 -13.569 0.035 1.00 55.14 H new ATOM 0 HE2 LYS A 109 10.818 -11.416 -1.080 1.00 14.03 H new ATOM 0 HE3 LYS A 109 10.837 -10.608 0.475 1.00 14.03 H new ATOM 0 HZ1 LYS A 109 13.006 -11.564 -0.628 1.00 74.24 H new ATOM 0 HZ2 LYS A 109 12.796 -11.551 1.057 1.00 74.24 H new ATOM 0 HZ3 LYS A 109 12.526 -12.979 0.179 1.00 74.24 H new ATOM 1768 N ALA A 110 7.322 -9.098 3.765 1.00 74.44 N ATOM 1769 CA ALA A 110 7.184 -7.823 4.496 1.00 64.21 C ATOM 1770 C ALA A 110 8.042 -7.866 5.773 1.00 53.40 C ATOM 1771 O ALA A 110 8.810 -6.929 6.043 1.00 60.54 O ATOM 1772 CB ALA A 110 5.705 -7.527 4.827 1.00 60.14 C ATOM 0 H ALA A 110 6.458 -9.636 3.702 1.00 74.44 H new ATOM 0 HA ALA A 110 7.539 -7.012 3.860 1.00 64.21 H new ATOM 0 HB1 ALA A 110 5.635 -6.582 5.365 1.00 60.14 H new ATOM 0 HB2 ALA A 110 5.131 -7.462 3.903 1.00 60.14 H new ATOM 0 HB3 ALA A 110 5.304 -8.328 5.447 1.00 60.14 H new ATOM 1778 N LEU A 111 7.923 -8.987 6.536 1.00 4.35 N ATOM 1779 CA LEU A 111 8.744 -9.232 7.757 1.00 42.13 C ATOM 1780 C LEU A 111 10.243 -9.331 7.415 1.00 43.44 C ATOM 1781 O LEU A 111 11.103 -8.950 8.222 1.00 30.01 O ATOM 1782 CB LEU A 111 8.296 -10.521 8.505 1.00 15.12 C ATOM 1783 CG LEU A 111 6.848 -10.527 9.091 1.00 55.32 C ATOM 1784 CD1 LEU A 111 6.541 -11.873 9.769 1.00 12.34 C ATOM 1785 CD2 LEU A 111 6.614 -9.356 10.071 1.00 74.32 C ATOM 0 H LEU A 111 7.265 -9.738 6.327 1.00 4.35 H new ATOM 0 HA LEU A 111 8.586 -8.377 8.414 1.00 42.13 H new ATOM 0 HB2 LEU A 111 8.388 -11.362 7.818 1.00 15.12 H new ATOM 0 HB3 LEU A 111 8.994 -10.700 9.323 1.00 15.12 H new ATOM 0 HG LEU A 111 6.161 -10.392 8.256 1.00 55.32 H new ATOM 0 HD11 LEU A 111 5.528 -11.856 10.170 1.00 12.34 H new ATOM 0 HD12 LEU A 111 6.628 -12.677 9.038 1.00 12.34 H new ATOM 0 HD13 LEU A 111 7.249 -12.042 10.580 1.00 12.34 H new ATOM 0 HD21 LEU A 111 5.594 -9.400 10.454 1.00 74.32 H new ATOM 0 HD22 LEU A 111 7.317 -9.430 10.901 1.00 74.32 H new ATOM 0 HD23 LEU A 111 6.766 -8.410 9.551 1.00 74.32 H new ATOM 1797 N ASP A 112 10.534 -9.832 6.197 1.00 64.54 N ATOM 1798 CA ASP A 112 11.904 -10.034 5.690 1.00 53.43 C ATOM 1799 C ASP A 112 12.571 -8.679 5.364 1.00 10.51 C ATOM 1800 O ASP A 112 13.804 -8.568 5.361 1.00 44.13 O ATOM 1801 CB ASP A 112 11.866 -10.974 4.445 1.00 55.23 C ATOM 1802 CG ASP A 112 13.244 -11.220 3.806 1.00 71.41 C ATOM 1803 OD1 ASP A 112 14.141 -11.740 4.498 1.00 73.34 O ATOM 1804 OD2 ASP A 112 13.437 -10.898 2.611 1.00 1.12 O ATOM 0 H ASP A 112 9.814 -10.111 5.531 1.00 64.54 H new ATOM 0 HA ASP A 112 12.509 -10.511 6.461 1.00 53.43 H new ATOM 0 HB2 ASP A 112 11.436 -11.932 4.738 1.00 55.23 H new ATOM 0 HB3 ASP A 112 11.201 -10.543 3.697 1.00 55.23 H new ATOM 1809 N LEU A 113 11.744 -7.644 5.113 1.00 2.12 N ATOM 1810 CA LEU A 113 12.227 -6.261 4.937 1.00 50.45 C ATOM 1811 C LEU A 113 12.597 -5.661 6.299 1.00 30.11 C ATOM 1812 O LEU A 113 13.772 -5.370 6.556 1.00 65.55 O ATOM 1813 CB LEU A 113 11.161 -5.378 4.237 1.00 71.32 C ATOM 1814 CG LEU A 113 10.782 -5.793 2.792 1.00 11.32 C ATOM 1815 CD1 LEU A 113 9.722 -4.850 2.207 1.00 33.42 C ATOM 1816 CD2 LEU A 113 12.029 -5.892 1.882 1.00 43.03 C ATOM 0 H LEU A 113 10.732 -7.742 5.027 1.00 2.12 H new ATOM 0 HA LEU A 113 13.112 -6.287 4.301 1.00 50.45 H new ATOM 0 HB2 LEU A 113 10.256 -5.383 4.845 1.00 71.32 H new ATOM 0 HB3 LEU A 113 11.525 -4.351 4.216 1.00 71.32 H new ATOM 0 HG LEU A 113 10.344 -6.790 2.838 1.00 11.32 H new ATOM 0 HD11 LEU A 113 9.475 -5.165 1.193 1.00 33.42 H new ATOM 0 HD12 LEU A 113 8.825 -4.882 2.826 1.00 33.42 H new ATOM 0 HD13 LEU A 113 10.112 -3.832 2.186 1.00 33.42 H new ATOM 0 HD21 LEU A 113 11.724 -6.185 0.877 1.00 43.03 H new ATOM 0 HD22 LEU A 113 12.528 -4.924 1.842 1.00 43.03 H new ATOM 0 HD23 LEU A 113 12.715 -6.637 2.285 1.00 43.03 H new ATOM 1828 N ASP A 114 11.579 -5.512 7.176 1.00 74.31 N ATOM 1829 CA ASP A 114 11.743 -4.883 8.501 1.00 33.11 C ATOM 1830 C ASP A 114 10.528 -5.208 9.385 1.00 35.01 C ATOM 1831 O ASP A 114 9.375 -4.949 8.994 1.00 40.04 O ATOM 1832 CB ASP A 114 11.925 -3.345 8.355 1.00 73.42 C ATOM 1833 CG ASP A 114 12.295 -2.637 9.671 1.00 62.43 C ATOM 1834 OD1 ASP A 114 11.402 -2.416 10.506 1.00 1.32 O ATOM 1835 OD2 ASP A 114 13.482 -2.291 9.868 1.00 21.43 O ATOM 0 H ASP A 114 10.627 -5.823 6.985 1.00 74.31 H new ATOM 0 HA ASP A 114 12.638 -5.284 8.976 1.00 33.11 H new ATOM 0 HB2 ASP A 114 12.702 -3.149 7.616 1.00 73.42 H new ATOM 0 HB3 ASP A 114 11.002 -2.914 7.968 1.00 73.42 H new ATOM 1840 N SER A 115 10.822 -5.685 10.613 1.00 75.13 N ATOM 1841 CA SER A 115 9.838 -6.226 11.571 1.00 74.24 C ATOM 1842 C SER A 115 8.674 -5.262 11.882 1.00 73.14 C ATOM 1843 O SER A 115 7.580 -5.720 12.202 1.00 71.44 O ATOM 1844 CB SER A 115 10.555 -6.618 12.880 1.00 63.02 C ATOM 1845 OG SER A 115 11.625 -7.516 12.628 1.00 13.44 O ATOM 0 H SER A 115 11.776 -5.704 10.974 1.00 75.13 H new ATOM 0 HA SER A 115 9.391 -7.100 11.096 1.00 74.24 H new ATOM 0 HB2 SER A 115 10.936 -5.723 13.372 1.00 63.02 H new ATOM 0 HB3 SER A 115 9.843 -7.079 13.564 1.00 63.02 H new ATOM 0 HG SER A 115 12.064 -7.747 13.473 1.00 13.44 H new ATOM 1851 N SER A 116 8.892 -3.926 11.728 1.00 64.01 N ATOM 1852 CA SER A 116 7.850 -2.896 11.977 1.00 41.44 C ATOM 1853 C SER A 116 6.598 -3.082 11.076 1.00 62.20 C ATOM 1854 O SER A 116 5.601 -2.373 11.231 1.00 21.51 O ATOM 1855 CB SER A 116 8.449 -1.485 11.789 1.00 15.11 C ATOM 1856 OG SER A 116 9.602 -1.314 12.601 1.00 11.23 O ATOM 0 H SER A 116 9.787 -3.538 11.430 1.00 64.01 H new ATOM 0 HA SER A 116 7.514 -3.016 13.007 1.00 41.44 H new ATOM 0 HB2 SER A 116 8.710 -1.333 10.742 1.00 15.11 H new ATOM 0 HB3 SER A 116 7.704 -0.732 12.044 1.00 15.11 H new ATOM 0 HG SER A 116 10.394 -1.624 12.114 1.00 11.23 H new ATOM 1862 N CYS A 117 6.668 -4.030 10.124 1.00 11.15 N ATOM 1863 CA CYS A 117 5.513 -4.489 9.343 1.00 20.32 C ATOM 1864 C CYS A 117 4.621 -5.504 10.115 1.00 21.25 C ATOM 1865 O CYS A 117 3.831 -6.198 9.480 1.00 32.24 O ATOM 1866 CB CYS A 117 6.033 -5.163 8.076 1.00 14.31 C ATOM 1867 SG CYS A 117 7.071 -6.571 8.443 1.00 74.03 S ATOM 0 H CYS A 117 7.538 -4.501 9.876 1.00 11.15 H new ATOM 0 HA CYS A 117 4.895 -3.619 9.122 1.00 20.32 H new ATOM 0 HB2 CYS A 117 5.190 -5.484 7.464 1.00 14.31 H new ATOM 0 HB3 CYS A 117 6.598 -4.440 7.487 1.00 14.31 H new ATOM 0 HG CYS A 117 8.276 -6.164 8.710 1.00 74.03 H new ATOM 1873 N LYS A 118 4.796 -5.653 11.463 1.00 54.31 N ATOM 1874 CA LYS A 118 3.958 -6.573 12.315 1.00 61.25 C ATOM 1875 C LYS A 118 2.424 -6.491 12.062 1.00 74.30 C ATOM 1876 O LYS A 118 1.704 -7.447 12.369 1.00 42.35 O ATOM 1877 CB LYS A 118 4.215 -6.347 13.838 1.00 44.30 C ATOM 1878 CG LYS A 118 5.629 -6.712 14.332 1.00 13.34 C ATOM 1879 CD LYS A 118 6.044 -8.171 14.019 1.00 3.43 C ATOM 1880 CE LYS A 118 5.113 -9.224 14.649 1.00 74.31 C ATOM 1881 NZ LYS A 118 5.005 -9.088 16.127 1.00 10.34 N ATOM 0 H LYS A 118 5.510 -5.149 11.989 1.00 54.31 H new ATOM 0 HA LYS A 118 4.284 -7.567 12.009 1.00 61.25 H new ATOM 0 HB2 LYS A 118 4.027 -5.298 14.069 1.00 44.30 H new ATOM 0 HB3 LYS A 118 3.489 -6.932 14.402 1.00 44.30 H new ATOM 0 HG2 LYS A 118 6.350 -6.033 13.875 1.00 13.34 H new ATOM 0 HG3 LYS A 118 5.680 -6.553 15.409 1.00 13.34 H new ATOM 0 HD2 LYS A 118 6.060 -8.312 12.938 1.00 3.43 H new ATOM 0 HD3 LYS A 118 7.060 -8.336 14.377 1.00 3.43 H new ATOM 0 HE2 LYS A 118 4.121 -9.136 14.207 1.00 74.31 H new ATOM 0 HE3 LYS A 118 5.482 -10.220 14.406 1.00 74.31 H new ATOM 0 HZ1 LYS A 118 4.408 -9.852 16.503 1.00 10.34 H new ATOM 0 HZ2 LYS A 118 5.953 -9.149 16.551 1.00 10.34 H new ATOM 0 HZ3 LYS A 118 4.579 -8.168 16.361 1.00 10.34 H new ATOM 1895 N GLU A 119 1.938 -5.354 11.526 1.00 25.33 N ATOM 1896 CA GLU A 119 0.523 -5.186 11.109 1.00 43.12 C ATOM 1897 C GLU A 119 0.093 -6.268 10.076 1.00 13.14 C ATOM 1898 O GLU A 119 -1.059 -6.704 10.064 1.00 13.31 O ATOM 1899 CB GLU A 119 0.307 -3.755 10.549 1.00 71.41 C ATOM 1900 CG GLU A 119 1.282 -3.355 9.421 1.00 52.21 C ATOM 1901 CD GLU A 119 1.045 -1.930 8.900 1.00 3.31 C ATOM 1902 OE1 GLU A 119 0.112 -1.730 8.095 1.00 41.43 O ATOM 1903 OE2 GLU A 119 1.779 -1.000 9.305 1.00 13.03 O ATOM 0 H GLU A 119 2.511 -4.525 11.368 1.00 25.33 H new ATOM 0 HA GLU A 119 -0.111 -5.320 11.986 1.00 43.12 H new ATOM 0 HB2 GLU A 119 -0.714 -3.675 10.175 1.00 71.41 H new ATOM 0 HB3 GLU A 119 0.404 -3.040 11.366 1.00 71.41 H new ATOM 0 HG2 GLU A 119 2.305 -3.436 9.787 1.00 52.21 H new ATOM 0 HG3 GLU A 119 1.182 -4.059 8.595 1.00 52.21 H new ATOM 1910 N ALA A 120 1.053 -6.695 9.227 1.00 72.02 N ATOM 1911 CA ALA A 120 0.892 -7.817 8.279 1.00 41.31 C ATOM 1912 C ALA A 120 0.799 -9.170 9.016 1.00 3.10 C ATOM 1913 O ALA A 120 0.149 -10.096 8.523 1.00 31.11 O ATOM 1914 CB ALA A 120 2.060 -7.838 7.268 1.00 52.41 C ATOM 0 H ALA A 120 1.976 -6.262 9.181 1.00 72.02 H new ATOM 0 HA ALA A 120 -0.043 -7.665 7.739 1.00 41.31 H new ATOM 0 HB1 ALA A 120 1.928 -8.670 6.576 1.00 52.41 H new ATOM 0 HB2 ALA A 120 2.076 -6.901 6.711 1.00 52.41 H new ATOM 0 HB3 ALA A 120 3.002 -7.957 7.803 1.00 52.41 H new ATOM 1920 N ALA A 121 1.462 -9.287 10.203 1.00 74.10 N ATOM 1921 CA ALA A 121 1.394 -10.509 11.041 1.00 43.33 C ATOM 1922 C ALA A 121 0.005 -10.651 11.686 1.00 71.44 C ATOM 1923 O ALA A 121 -0.515 -11.761 11.827 1.00 61.34 O ATOM 1924 CB ALA A 121 2.505 -10.498 12.104 1.00 54.33 C ATOM 0 H ALA A 121 2.047 -8.549 10.595 1.00 74.10 H new ATOM 0 HA ALA A 121 1.552 -11.376 10.400 1.00 43.33 H new ATOM 0 HB1 ALA A 121 2.439 -11.402 12.709 1.00 54.33 H new ATOM 0 HB2 ALA A 121 3.478 -10.460 11.613 1.00 54.33 H new ATOM 0 HB3 ALA A 121 2.387 -9.624 12.744 1.00 54.33 H new ATOM 1930 N ASP A 122 -0.586 -9.502 12.056 1.00 53.23 N ATOM 1931 CA ASP A 122 -1.976 -9.417 12.547 1.00 73.14 C ATOM 1932 C ASP A 122 -2.958 -9.855 11.439 1.00 33.31 C ATOM 1933 O ASP A 122 -3.910 -10.613 11.687 1.00 61.44 O ATOM 1934 CB ASP A 122 -2.287 -7.965 13.017 1.00 55.12 C ATOM 1935 CG ASP A 122 -3.726 -7.795 13.542 1.00 54.11 C ATOM 1936 OD1 ASP A 122 -3.958 -7.998 14.754 1.00 22.42 O ATOM 1937 OD2 ASP A 122 -4.629 -7.452 12.746 1.00 5.24 O ATOM 0 H ASP A 122 -0.112 -8.600 12.023 1.00 53.23 H new ATOM 0 HA ASP A 122 -2.096 -10.088 13.397 1.00 73.14 H new ATOM 0 HB2 ASP A 122 -1.585 -7.685 13.802 1.00 55.12 H new ATOM 0 HB3 ASP A 122 -2.126 -7.278 12.186 1.00 55.12 H new ATOM 1942 N GLY A 123 -2.683 -9.371 10.217 1.00 51.41 N ATOM 1943 CA GLY A 123 -3.477 -9.694 9.036 1.00 60.11 C ATOM 1944 C GLY A 123 -3.245 -11.108 8.514 1.00 64.21 C ATOM 1945 O GLY A 123 -4.114 -11.661 7.834 1.00 41.23 O ATOM 0 H GLY A 123 -1.901 -8.744 10.027 1.00 51.41 H new ATOM 0 HA2 GLY A 123 -4.534 -9.572 9.274 1.00 60.11 H new ATOM 0 HA3 GLY A 123 -3.244 -8.981 8.245 1.00 60.11 H new ATOM 1949 N TYR A 124 -2.067 -11.690 8.825 1.00 63.01 N ATOM 1950 CA TYR A 124 -1.719 -13.061 8.407 1.00 20.24 C ATOM 1951 C TYR A 124 -2.753 -14.061 8.916 1.00 5.21 C ATOM 1952 O TYR A 124 -3.370 -14.755 8.112 1.00 63.32 O ATOM 1953 CB TYR A 124 -0.310 -13.464 8.911 1.00 52.44 C ATOM 1954 CG TYR A 124 0.106 -14.923 8.603 1.00 75.25 C ATOM 1955 CD1 TYR A 124 -0.071 -15.476 7.331 1.00 51.13 C ATOM 1956 CD2 TYR A 124 0.682 -15.741 9.580 1.00 61.33 C ATOM 1957 CE1 TYR A 124 0.302 -16.778 7.061 1.00 41.52 C ATOM 1958 CE2 TYR A 124 1.056 -17.041 9.307 1.00 24.22 C ATOM 1959 CZ TYR A 124 0.864 -17.553 8.045 1.00 21.43 C ATOM 1960 OH TYR A 124 1.232 -18.854 7.760 1.00 31.43 O ATOM 0 H TYR A 124 -1.338 -11.226 9.368 1.00 63.01 H new ATOM 0 HA TYR A 124 -1.714 -13.077 7.317 1.00 20.24 H new ATOM 0 HB2 TYR A 124 0.424 -12.792 8.466 1.00 52.44 H new ATOM 0 HB3 TYR A 124 -0.270 -13.311 9.989 1.00 52.44 H new ATOM 0 HD1 TYR A 124 -0.507 -14.875 6.547 1.00 51.13 H new ATOM 0 HD2 TYR A 124 0.838 -15.346 10.573 1.00 61.33 H new ATOM 0 HE1 TYR A 124 0.151 -17.188 6.073 1.00 41.52 H new ATOM 0 HE2 TYR A 124 1.497 -17.653 10.080 1.00 24.22 H new ATOM 0 HH TYR A 124 1.615 -19.269 8.561 1.00 31.43 H new ATOM 1970 N GLN A 125 -2.935 -14.101 10.250 1.00 55.22 N ATOM 1971 CA GLN A 125 -3.824 -15.066 10.935 1.00 35.43 C ATOM 1972 C GLN A 125 -5.228 -15.171 10.288 1.00 71.20 C ATOM 1973 O GLN A 125 -5.749 -16.276 10.135 1.00 72.55 O ATOM 1974 CB GLN A 125 -3.926 -14.721 12.457 1.00 43.13 C ATOM 1975 CG GLN A 125 -2.852 -15.374 13.363 1.00 62.33 C ATOM 1976 CD GLN A 125 -1.412 -15.156 12.898 1.00 55.43 C ATOM 1977 OE1 GLN A 125 -0.840 -15.976 12.184 1.00 11.22 O ATOM 1978 NE2 GLN A 125 -0.828 -14.039 13.270 1.00 1.33 N ATOM 0 H GLN A 125 -2.466 -13.460 10.890 1.00 55.22 H new ATOM 0 HA GLN A 125 -3.370 -16.051 10.821 1.00 35.43 H new ATOM 0 HB2 GLN A 125 -3.863 -13.639 12.571 1.00 43.13 H new ATOM 0 HB3 GLN A 125 -4.910 -15.023 12.815 1.00 43.13 H new ATOM 0 HG2 GLN A 125 -2.958 -14.979 14.373 1.00 62.33 H new ATOM 0 HG3 GLN A 125 -3.044 -16.445 13.418 1.00 62.33 H new ATOM 0 HE21 GLN A 125 -1.327 -13.376 13.863 1.00 1.33 H new ATOM 0 HE22 GLN A 125 0.124 -13.835 12.965 1.00 1.33 H new ATOM 1987 N ARG A 126 -5.810 -14.032 9.881 1.00 44.45 N ATOM 1988 CA ARG A 126 -7.152 -14.003 9.255 1.00 61.03 C ATOM 1989 C ARG A 126 -7.101 -14.299 7.731 1.00 15.25 C ATOM 1990 O ARG A 126 -8.101 -14.747 7.159 1.00 11.05 O ATOM 1991 CB ARG A 126 -7.912 -12.684 9.603 1.00 73.43 C ATOM 1992 CG ARG A 126 -7.140 -11.354 9.416 1.00 71.21 C ATOM 1993 CD ARG A 126 -7.102 -10.844 7.968 1.00 35.14 C ATOM 1994 NE ARG A 126 -8.446 -10.688 7.394 1.00 52.30 N ATOM 1995 CZ ARG A 126 -9.186 -9.572 7.423 1.00 2.31 C ATOM 1996 NH1 ARG A 126 -8.743 -8.455 8.003 1.00 24.04 N ATOM 1997 NH2 ARG A 126 -10.372 -9.571 6.839 1.00 43.22 N ATOM 0 H ARG A 126 -5.375 -13.114 9.972 1.00 44.45 H new ATOM 0 HA ARG A 126 -7.733 -14.818 9.686 1.00 61.03 H new ATOM 0 HB2 ARG A 126 -8.813 -12.641 8.991 1.00 73.43 H new ATOM 0 HB3 ARG A 126 -8.235 -12.744 10.642 1.00 73.43 H new ATOM 0 HG2 ARG A 126 -7.597 -10.591 10.046 1.00 71.21 H new ATOM 0 HG3 ARG A 126 -6.117 -11.488 9.769 1.00 71.21 H new ATOM 0 HD2 ARG A 126 -6.583 -9.886 7.936 1.00 35.14 H new ATOM 0 HD3 ARG A 126 -6.527 -11.539 7.356 1.00 35.14 H new ATOM 0 HE ARG A 126 -8.851 -11.502 6.932 1.00 52.30 H new ATOM 0 HH11 ARG A 126 -7.821 -8.438 8.438 1.00 24.04 H new ATOM 0 HH12 ARG A 126 -9.327 -7.619 8.011 1.00 24.04 H new ATOM 0 HH21 ARG A 126 -10.712 -10.413 6.374 1.00 43.22 H new ATOM 0 HH22 ARG A 126 -10.947 -8.728 6.853 1.00 43.22 H new ATOM 2011 N CYS A 127 -5.932 -14.091 7.085 1.00 50.10 N ATOM 2012 CA CYS A 127 -5.762 -14.390 5.639 1.00 12.10 C ATOM 2013 C CYS A 127 -5.595 -15.909 5.424 1.00 62.25 C ATOM 2014 O CYS A 127 -6.271 -16.502 4.581 1.00 0.31 O ATOM 2015 CB CYS A 127 -4.559 -13.612 5.050 1.00 34.51 C ATOM 2016 SG CYS A 127 -4.796 -11.820 5.023 1.00 42.31 S ATOM 0 H CYS A 127 -5.095 -13.720 7.535 1.00 50.10 H new ATOM 0 HA CYS A 127 -6.658 -14.063 5.112 1.00 12.10 H new ATOM 0 HB2 CYS A 127 -3.668 -13.843 5.633 1.00 34.51 H new ATOM 0 HB3 CYS A 127 -4.374 -13.961 4.034 1.00 34.51 H new ATOM 0 HG CYS A 127 -4.483 -11.323 6.183 1.00 42.31 H new ATOM 2022 N MET A 128 -4.720 -16.526 6.234 1.00 3.34 N ATOM 2023 CA MET A 128 -4.395 -17.958 6.126 1.00 13.13 C ATOM 2024 C MET A 128 -5.602 -18.845 6.502 1.00 0.42 C ATOM 2025 O MET A 128 -5.924 -19.770 5.768 1.00 10.34 O ATOM 2026 CB MET A 128 -3.160 -18.323 6.994 1.00 45.41 C ATOM 2027 CG MET A 128 -3.278 -17.967 8.480 1.00 74.12 C ATOM 2028 SD MET A 128 -1.941 -18.646 9.475 1.00 74.32 S ATOM 2029 CE MET A 128 -2.243 -20.401 9.296 1.00 23.31 C ATOM 0 H MET A 128 -4.218 -16.047 6.982 1.00 3.34 H new ATOM 0 HA MET A 128 -4.148 -18.152 5.082 1.00 13.13 H new ATOM 0 HB2 MET A 128 -2.979 -19.394 6.907 1.00 45.41 H new ATOM 0 HB3 MET A 128 -2.286 -17.817 6.584 1.00 45.41 H new ATOM 0 HG2 MET A 128 -3.289 -16.882 8.588 1.00 74.12 H new ATOM 0 HG3 MET A 128 -4.230 -18.335 8.861 1.00 74.12 H new ATOM 0 HE1 MET A 128 -2.160 -20.886 10.269 1.00 23.31 H new ATOM 0 HE2 MET A 128 -3.245 -20.559 8.896 1.00 23.31 H new ATOM 0 HE3 MET A 128 -1.508 -20.829 8.614 1.00 23.31 H new ATOM 2039 N MET A 129 -6.290 -18.533 7.630 1.00 23.55 N ATOM 2040 CA MET A 129 -7.408 -19.370 8.138 1.00 21.52 C ATOM 2041 C MET A 129 -8.602 -19.405 7.162 1.00 4.33 C ATOM 2042 O MET A 129 -9.401 -20.339 7.204 1.00 41.35 O ATOM 2043 CB MET A 129 -7.905 -18.886 9.526 1.00 63.04 C ATOM 2044 CG MET A 129 -8.603 -17.511 9.526 1.00 73.33 C ATOM 2045 SD MET A 129 -9.447 -17.149 11.079 1.00 11.32 S ATOM 2046 CE MET A 129 -10.798 -18.325 11.019 1.00 21.44 C ATOM 0 H MET A 129 -6.092 -17.712 8.203 1.00 23.55 H new ATOM 0 HA MET A 129 -7.004 -20.378 8.233 1.00 21.52 H new ATOM 0 HB2 MET A 129 -8.596 -19.627 9.926 1.00 63.04 H new ATOM 0 HB3 MET A 129 -7.054 -18.844 10.206 1.00 63.04 H new ATOM 0 HG2 MET A 129 -7.864 -16.734 9.331 1.00 73.33 H new ATOM 0 HG3 MET A 129 -9.325 -17.476 8.710 1.00 73.33 H new ATOM 0 HE1 MET A 129 -11.597 -17.995 11.682 1.00 21.44 H new ATOM 0 HE2 MET A 129 -11.177 -18.392 9.999 1.00 21.44 H new ATOM 0 HE3 MET A 129 -10.442 -19.304 11.339 1.00 21.44 H new ATOM 2056 N ALA A 130 -8.686 -18.381 6.285 1.00 52.42 N ATOM 2057 CA ALA A 130 -9.816 -18.170 5.359 1.00 51.21 C ATOM 2058 C ALA A 130 -9.980 -19.329 4.352 1.00 33.43 C ATOM 2059 O ALA A 130 -11.100 -19.647 3.943 1.00 20.15 O ATOM 2060 CB ALA A 130 -9.630 -16.837 4.625 1.00 74.21 C ATOM 0 H ALA A 130 -7.960 -17.669 6.201 1.00 52.42 H new ATOM 0 HA ALA A 130 -10.732 -18.142 5.950 1.00 51.21 H new ATOM 0 HB1 ALA A 130 -10.463 -16.679 3.941 1.00 74.21 H new ATOM 0 HB2 ALA A 130 -9.597 -16.024 5.350 1.00 74.21 H new ATOM 0 HB3 ALA A 130 -8.697 -16.859 4.062 1.00 74.21 H new ATOM 2066 N GLN A 131 -8.852 -19.944 3.956 1.00 44.43 N ATOM 2067 CA GLN A 131 -8.844 -21.117 3.044 1.00 40.21 C ATOM 2068 C GLN A 131 -8.982 -22.440 3.818 1.00 4.43 C ATOM 2069 O GLN A 131 -9.301 -23.474 3.223 1.00 75.43 O ATOM 2070 CB GLN A 131 -7.555 -21.142 2.156 1.00 35.24 C ATOM 2071 CG GLN A 131 -6.260 -20.773 2.889 1.00 31.14 C ATOM 2072 CD GLN A 131 -4.992 -20.945 2.054 1.00 25.51 C ATOM 2073 OE1 GLN A 131 -4.925 -21.786 1.162 1.00 52.40 O ATOM 2074 NE2 GLN A 131 -3.961 -20.179 2.365 1.00 13.20 N ATOM 0 H GLN A 131 -7.922 -19.649 4.253 1.00 44.43 H new ATOM 0 HA GLN A 131 -9.710 -21.014 2.390 1.00 40.21 H new ATOM 0 HB2 GLN A 131 -7.443 -22.139 1.731 1.00 35.24 H new ATOM 0 HB3 GLN A 131 -7.692 -20.454 1.322 1.00 35.24 H new ATOM 0 HG2 GLN A 131 -6.326 -19.736 3.218 1.00 31.14 H new ATOM 0 HG3 GLN A 131 -6.176 -21.387 3.785 1.00 31.14 H new ATOM 0 HE21 GLN A 131 -4.045 -19.488 3.111 1.00 13.20 H new ATOM 0 HE22 GLN A 131 -3.081 -20.278 1.859 1.00 13.20 H new ATOM 2083 N TYR A 132 -8.749 -22.406 5.146 1.00 33.21 N ATOM 2084 CA TYR A 132 -8.715 -23.622 5.998 1.00 2.44 C ATOM 2085 C TYR A 132 -10.049 -23.777 6.767 1.00 54.32 C ATOM 2086 O TYR A 132 -10.071 -24.236 7.911 1.00 2.52 O ATOM 2087 CB TYR A 132 -7.507 -23.533 6.987 1.00 3.32 C ATOM 2088 CG TYR A 132 -6.132 -23.251 6.346 1.00 44.32 C ATOM 2089 CD1 TYR A 132 -5.817 -23.691 5.056 1.00 55.11 C ATOM 2090 CD2 TYR A 132 -5.151 -22.532 7.038 1.00 4.34 C ATOM 2091 CE1 TYR A 132 -4.594 -23.416 4.482 1.00 24.20 C ATOM 2092 CE2 TYR A 132 -3.923 -22.259 6.465 1.00 2.30 C ATOM 2093 CZ TYR A 132 -3.648 -22.698 5.187 1.00 4.12 C ATOM 2094 OH TYR A 132 -2.435 -22.404 4.604 1.00 61.34 O ATOM 0 H TYR A 132 -8.579 -21.541 5.660 1.00 33.21 H new ATOM 0 HA TYR A 132 -8.587 -24.502 5.367 1.00 2.44 H new ATOM 0 HB2 TYR A 132 -7.715 -22.749 7.715 1.00 3.32 H new ATOM 0 HB3 TYR A 132 -7.444 -24.471 7.539 1.00 3.32 H new ATOM 0 HD1 TYR A 132 -6.547 -24.258 4.498 1.00 55.11 H new ATOM 0 HD2 TYR A 132 -5.357 -22.184 8.039 1.00 4.34 H new ATOM 0 HE1 TYR A 132 -4.376 -23.762 3.482 1.00 24.20 H new ATOM 0 HE2 TYR A 132 -3.180 -21.703 7.017 1.00 2.30 H new ATOM 0 HH TYR A 132 -1.885 -21.893 5.233 1.00 61.34 H new ATOM 2104 N ASN A 133 -11.166 -23.442 6.098 1.00 25.43 N ATOM 2105 CA ASN A 133 -12.518 -23.459 6.694 1.00 5.24 C ATOM 2106 C ASN A 133 -13.347 -24.604 6.088 1.00 54.32 C ATOM 2107 O ASN A 133 -13.762 -24.489 4.914 1.00 65.14 O ATOM 2108 CB ASN A 133 -13.214 -22.091 6.468 1.00 74.02 C ATOM 2109 CG ASN A 133 -12.525 -20.921 7.173 1.00 34.21 C ATOM 2110 OD1 ASN A 133 -12.475 -19.809 6.651 1.00 72.13 O ATOM 2111 ND2 ASN A 133 -12.005 -21.144 8.376 1.00 25.24 N ATOM 2112 OXT ASN A 133 -13.585 -25.616 6.777 1.00 38.44 O ATOM 0 H ASN A 133 -11.158 -23.149 5.121 1.00 25.43 H new ATOM 0 HA ASN A 133 -12.435 -23.628 7.768 1.00 5.24 H new ATOM 0 HB2 ASN A 133 -13.252 -21.886 5.398 1.00 74.02 H new ATOM 0 HB3 ASN A 133 -14.245 -22.157 6.817 1.00 74.02 H new ATOM 0 HD21 ASN A 133 -11.553 -20.384 8.885 1.00 25.24 H new ATOM 0 HD22 ASN A 133 -12.058 -22.075 8.790 1.00 25.24 H new