USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 649 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 20 THR OG1 : rot -26:sc= -0.181 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -0.105 X(o=-0.29,f=-0.17) USER MOD Single : A 14 SER OG : rot 0:sc= 0.456 USER MOD Single : A 16 HIS : no HE2:sc=-0.00145 K(o=-0.0015,f=-2) USER MOD Single : A 18 HIS : no HD1:sc= -0.827 X(o=-0.83,f=-0.43) USER MOD Single : A 21 HIS : no HD1:sc= 1.21 K(o=1.2,f=-5.2!) USER MOD Single : A 23 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.107 (180deg=-0.55) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 49:sc= 0.162 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.64 K(o=-1.6,f=-7.3!) USER MOD Single : A 37 MET CE :methyl -157:sc= -0.241 (180deg=-0.915) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00487 USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0294 (180deg=-0.255) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0274) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 53 SER OG : rot 41:sc= 0.14 USER MOD Single : A 55 ASN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD Single : A 56 SER OG : rot -160:sc= -0.13 USER MOD Single : A 57 MET CE :methyl -142:sc= -0.409 (180deg=-1.21) USER MOD Single : A 62 TYR OH : rot 55:sc= 1.23 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 1.18 (180deg=0.814) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -72:sc= 0.916 USER MOD Single : A 83 SER OG : rot 180:sc= -0.15 USER MOD ----------------------------------------------------------------- ATOM 183 N ASP A 13 3.033 -13.093 -7.871 1.00 21.41 N ATOM 184 CA ASP A 13 2.889 -12.859 -6.442 1.00 2.24 C ATOM 185 C ASP A 13 2.823 -11.365 -6.141 1.00 22.42 C ATOM 186 O ASP A 13 3.844 -10.671 -6.138 1.00 74.33 O ATOM 187 CB ASP A 13 4.043 -13.506 -5.671 1.00 41.14 C ATOM 188 CG ASP A 13 3.925 -13.305 -4.171 1.00 0.21 C ATOM 189 OD1 ASP A 13 2.810 -13.472 -3.631 1.00 73.45 O ATOM 190 OD2 ASP A 13 4.947 -12.984 -3.526 1.00 14.43 O ATOM 0 HA ASP A 13 1.954 -13.316 -6.117 1.00 2.24 H new ATOM 0 HB2 ASP A 13 4.069 -14.573 -5.890 1.00 41.14 H new ATOM 0 HB3 ASP A 13 4.987 -13.086 -6.017 1.00 41.14 H new ATOM 195 N SER A 14 1.610 -10.876 -5.927 1.00 24.04 N ATOM 196 CA SER A 14 1.378 -9.482 -5.578 1.00 63.02 C ATOM 197 C SER A 14 0.079 -9.351 -4.792 1.00 13.24 C ATOM 198 O SER A 14 -0.902 -10.036 -5.083 1.00 64.15 O ATOM 199 CB SER A 14 1.312 -8.615 -6.838 1.00 20.23 C ATOM 200 OG SER A 14 2.540 -8.640 -7.540 1.00 35.04 O ATOM 0 H SER A 14 0.759 -11.435 -5.990 1.00 24.04 H new ATOM 0 HA SER A 14 2.208 -9.138 -4.961 1.00 63.02 H new ATOM 0 HB2 SER A 14 0.512 -8.971 -7.487 1.00 20.23 H new ATOM 0 HB3 SER A 14 1.067 -7.589 -6.564 1.00 20.23 H new ATOM 0 HG SER A 14 3.175 -9.217 -7.067 1.00 35.04 H new ATOM 206 N VAL A 15 0.077 -8.476 -3.798 1.00 40.22 N ATOM 207 CA VAL A 15 -1.104 -8.262 -2.971 1.00 13.41 C ATOM 208 C VAL A 15 -1.934 -7.104 -3.510 1.00 0.53 C ATOM 209 O VAL A 15 -1.442 -6.292 -4.297 1.00 51.52 O ATOM 210 CB VAL A 15 -0.726 -7.982 -1.502 1.00 62.11 C ATOM 211 CG1 VAL A 15 -0.117 -9.219 -0.857 1.00 4.31 C ATOM 212 CG2 VAL A 15 0.233 -6.804 -1.408 1.00 24.05 C ATOM 0 H VAL A 15 0.880 -7.901 -3.543 1.00 40.22 H new ATOM 0 HA VAL A 15 -1.693 -9.179 -3.007 1.00 13.41 H new ATOM 0 HB VAL A 15 -1.637 -7.727 -0.960 1.00 62.11 H new ATOM 0 HG11 VAL A 15 0.142 -8.999 0.179 1.00 4.31 H new ATOM 0 HG12 VAL A 15 -0.838 -10.036 -0.885 1.00 4.31 H new ATOM 0 HG13 VAL A 15 0.781 -9.509 -1.402 1.00 4.31 H new ATOM 0 HG21 VAL A 15 0.487 -6.624 -0.363 1.00 24.05 H new ATOM 0 HG22 VAL A 15 1.141 -7.028 -1.968 1.00 24.05 H new ATOM 0 HG23 VAL A 15 -0.241 -5.915 -1.825 1.00 24.05 H new ATOM 222 N HIS A 16 -3.190 -7.030 -3.093 1.00 63.00 N ATOM 223 CA HIS A 16 -4.089 -5.983 -3.563 1.00 23.43 C ATOM 224 C HIS A 16 -4.264 -4.920 -2.491 1.00 75.33 C ATOM 225 O HIS A 16 -5.277 -4.887 -1.792 1.00 2.52 O ATOM 226 CB HIS A 16 -5.456 -6.564 -3.943 1.00 71.32 C ATOM 227 CG HIS A 16 -5.378 -7.663 -4.953 1.00 43.13 C ATOM 228 ND1 HIS A 16 -5.600 -8.983 -4.638 1.00 11.33 N ATOM 229 CD2 HIS A 16 -5.090 -7.636 -6.276 1.00 31.43 C ATOM 230 CE1 HIS A 16 -5.449 -9.723 -5.719 1.00 3.55 C ATOM 231 NE2 HIS A 16 -5.140 -8.934 -6.728 1.00 33.21 N ATOM 0 H HIS A 16 -3.610 -7.682 -2.430 1.00 63.00 H new ATOM 0 HA HIS A 16 -3.645 -5.531 -4.450 1.00 23.43 H new ATOM 0 HB2 HIS A 16 -5.944 -6.941 -3.044 1.00 71.32 H new ATOM 0 HB3 HIS A 16 -6.085 -5.765 -4.335 1.00 71.32 H new ATOM 0 HD1 HIS A 16 -5.844 -9.335 -3.712 1.00 11.33 H new ATOM 0 HD2 HIS A 16 -4.864 -6.760 -6.865 1.00 31.43 H new ATOM 0 HE1 HIS A 16 -5.560 -10.796 -5.769 1.00 3.55 H new ATOM 240 N LEU A 17 -3.263 -4.067 -2.348 1.00 14.31 N ATOM 241 CA LEU A 17 -3.282 -3.038 -1.318 1.00 71.50 C ATOM 242 C LEU A 17 -4.292 -1.954 -1.658 1.00 42.32 C ATOM 243 O LEU A 17 -4.165 -1.271 -2.673 1.00 25.25 O ATOM 244 CB LEU A 17 -1.890 -2.425 -1.146 1.00 21.23 C ATOM 245 CG LEU A 17 -0.814 -3.385 -0.634 1.00 53.44 C ATOM 246 CD1 LEU A 17 0.531 -2.681 -0.536 1.00 71.44 C ATOM 247 CD2 LEU A 17 -1.212 -3.953 0.720 1.00 64.51 C ATOM 0 H LEU A 17 -2.426 -4.066 -2.932 1.00 14.31 H new ATOM 0 HA LEU A 17 -3.578 -3.505 -0.379 1.00 71.50 H new ATOM 0 HB2 LEU A 17 -1.567 -2.021 -2.106 1.00 21.23 H new ATOM 0 HB3 LEU A 17 -1.963 -1.585 -0.455 1.00 21.23 H new ATOM 0 HG LEU A 17 -0.722 -4.206 -1.344 1.00 53.44 H new ATOM 0 HD11 LEU A 17 1.282 -3.381 -0.170 1.00 71.44 H new ATOM 0 HD12 LEU A 17 0.824 -2.317 -1.521 1.00 71.44 H new ATOM 0 HD13 LEU A 17 0.452 -1.840 0.153 1.00 71.44 H new ATOM 0 HD21 LEU A 17 -0.437 -4.634 1.071 1.00 64.51 H new ATOM 0 HD22 LEU A 17 -1.331 -3.139 1.435 1.00 64.51 H new ATOM 0 HD23 LEU A 17 -2.154 -4.493 0.625 1.00 64.51 H new ATOM 259 N HIS A 18 -5.299 -1.806 -0.806 1.00 54.44 N ATOM 260 CA HIS A 18 -6.322 -0.789 -1.003 1.00 44.33 C ATOM 261 C HIS A 18 -5.827 0.558 -0.510 1.00 63.13 C ATOM 262 O HIS A 18 -5.927 0.868 0.676 1.00 15.55 O ATOM 263 CB HIS A 18 -7.625 -1.164 -0.290 1.00 51.41 C ATOM 264 CG HIS A 18 -8.493 -2.093 -1.080 1.00 43.42 C ATOM 265 ND1 HIS A 18 -9.785 -1.782 -1.445 1.00 3.44 N ATOM 266 CD2 HIS A 18 -8.249 -3.325 -1.585 1.00 24.31 C ATOM 267 CE1 HIS A 18 -10.294 -2.781 -2.142 1.00 62.24 C ATOM 268 NE2 HIS A 18 -9.384 -3.729 -2.240 1.00 63.25 N ATOM 0 H HIS A 18 -5.428 -2.378 0.028 1.00 54.44 H new ATOM 0 HA HIS A 18 -6.528 -0.725 -2.071 1.00 44.33 H new ATOM 0 HB2 HIS A 18 -7.386 -1.629 0.666 1.00 51.41 H new ATOM 0 HB3 HIS A 18 -8.185 -0.255 -0.071 1.00 51.41 H new ATOM 0 HD2 HIS A 18 -7.331 -3.886 -1.490 1.00 24.31 H new ATOM 0 HE1 HIS A 18 -11.289 -2.815 -2.561 1.00 62.24 H new ATOM 0 HE2 HIS A 18 -9.504 -4.619 -2.724 1.00 63.25 H new ATOM 277 N ILE A 19 -5.268 1.333 -1.423 1.00 42.03 N ATOM 278 CA ILE A 19 -4.741 2.647 -1.102 1.00 4.35 C ATOM 279 C ILE A 19 -5.852 3.690 -1.135 1.00 44.13 C ATOM 280 O ILE A 19 -6.387 4.006 -2.195 1.00 40.42 O ATOM 281 CB ILE A 19 -3.624 3.050 -2.091 1.00 25.11 C ATOM 282 CG1 ILE A 19 -2.519 1.988 -2.109 1.00 44.22 C ATOM 283 CG2 ILE A 19 -3.052 4.412 -1.724 1.00 1.44 C ATOM 284 CD1 ILE A 19 -1.441 2.251 -3.141 1.00 44.44 C ATOM 0 H ILE A 19 -5.167 1.070 -2.403 1.00 42.03 H new ATOM 0 HA ILE A 19 -4.321 2.602 -0.097 1.00 4.35 H new ATOM 0 HB ILE A 19 -4.054 3.118 -3.090 1.00 25.11 H new ATOM 0 HG12 ILE A 19 -2.060 1.937 -1.122 1.00 44.22 H new ATOM 0 HG13 ILE A 19 -2.967 1.013 -2.304 1.00 44.22 H new ATOM 0 HG21 ILE A 19 -2.267 4.679 -2.431 1.00 1.44 H new ATOM 0 HG22 ILE A 19 -3.843 5.161 -1.760 1.00 1.44 H new ATOM 0 HG23 ILE A 19 -2.636 4.373 -0.717 1.00 1.44 H new ATOM 0 HD11 ILE A 19 -0.693 1.459 -3.096 1.00 44.44 H new ATOM 0 HD12 ILE A 19 -1.887 2.273 -4.135 1.00 44.44 H new ATOM 0 HD13 ILE A 19 -0.966 3.210 -2.935 1.00 44.44 H new ATOM 296 N THR A 20 -6.209 4.204 0.029 1.00 63.43 N ATOM 297 CA THR A 20 -7.248 5.213 0.120 1.00 52.02 C ATOM 298 C THR A 20 -6.677 6.543 0.602 1.00 14.02 C ATOM 299 O THR A 20 -6.136 6.643 1.706 1.00 25.51 O ATOM 300 CB THR A 20 -8.398 4.764 1.049 1.00 71.21 C ATOM 301 OG1 THR A 20 -7.877 4.287 2.300 1.00 51.25 O ATOM 302 CG2 THR A 20 -9.232 3.675 0.392 1.00 43.31 C ATOM 0 H THR A 20 -5.795 3.939 0.923 1.00 63.43 H new ATOM 0 HA THR A 20 -7.654 5.347 -0.883 1.00 52.02 H new ATOM 0 HB THR A 20 -9.036 5.628 1.234 1.00 71.21 H new ATOM 0 HG1 THR A 20 -6.963 3.959 2.170 1.00 51.25 H new ATOM 0 HG21 THR A 20 -10.035 3.376 1.065 1.00 43.31 H new ATOM 0 HG22 THR A 20 -9.659 4.054 -0.536 1.00 43.31 H new ATOM 0 HG23 THR A 20 -8.600 2.814 0.175 1.00 43.31 H new ATOM 310 N HIS A 21 -6.776 7.555 -0.252 1.00 60.34 N ATOM 311 CA HIS A 21 -6.305 8.895 0.074 1.00 2.41 C ATOM 312 C HIS A 21 -7.396 9.643 0.838 1.00 51.24 C ATOM 313 O HIS A 21 -8.497 9.824 0.326 1.00 54.32 O ATOM 314 CB HIS A 21 -5.929 9.634 -1.220 1.00 60.42 C ATOM 315 CG HIS A 21 -5.197 10.932 -1.021 1.00 14.44 C ATOM 316 ND1 HIS A 21 -5.172 11.927 -1.975 1.00 75.33 N ATOM 317 CD2 HIS A 21 -4.441 11.388 0.008 1.00 32.30 C ATOM 318 CE1 HIS A 21 -4.436 12.934 -1.543 1.00 0.25 C ATOM 319 NE2 HIS A 21 -3.986 12.632 -0.344 1.00 52.34 N ATOM 0 H HIS A 21 -7.182 7.471 -1.184 1.00 60.34 H new ATOM 0 HA HIS A 21 -5.419 8.838 0.706 1.00 2.41 H new ATOM 0 HB2 HIS A 21 -5.311 8.975 -1.830 1.00 60.42 H new ATOM 0 HB3 HIS A 21 -6.840 9.831 -1.786 1.00 60.42 H new ATOM 0 HD2 HIS A 21 -4.236 10.868 0.932 1.00 32.30 H new ATOM 0 HE1 HIS A 21 -4.237 13.849 -2.081 1.00 0.25 H new ATOM 0 HE2 HIS A 21 -3.393 13.229 0.232 1.00 52.34 H new ATOM 328 N ALA A 22 -7.078 10.080 2.059 1.00 2.34 N ATOM 329 CA ALA A 22 -8.070 10.662 2.975 1.00 3.20 C ATOM 330 C ALA A 22 -8.722 11.936 2.432 1.00 50.05 C ATOM 331 O ALA A 22 -9.732 12.394 2.963 1.00 23.43 O ATOM 332 CB ALA A 22 -7.429 10.948 4.324 1.00 1.51 C ATOM 0 H ALA A 22 -6.133 10.042 2.441 1.00 2.34 H new ATOM 0 HA ALA A 22 -8.864 9.923 3.082 1.00 3.20 H new ATOM 0 HB1 ALA A 22 -8.172 11.379 4.996 1.00 1.51 H new ATOM 0 HB2 ALA A 22 -7.049 10.020 4.751 1.00 1.51 H new ATOM 0 HB3 ALA A 22 -6.606 11.651 4.194 1.00 1.51 H new ATOM 338 N ASN A 23 -8.140 12.511 1.388 1.00 44.01 N ATOM 339 CA ASN A 23 -8.704 13.706 0.768 1.00 32.42 C ATOM 340 C ASN A 23 -9.989 13.362 0.027 1.00 34.13 C ATOM 341 O ASN A 23 -10.815 14.235 -0.241 1.00 75.13 O ATOM 342 CB ASN A 23 -7.711 14.348 -0.208 1.00 24.15 C ATOM 343 CG ASN A 23 -6.439 14.846 0.458 1.00 41.52 C ATOM 344 OD1 ASN A 23 -5.951 14.260 1.425 1.00 4.42 O ATOM 345 ND2 ASN A 23 -5.896 15.938 -0.052 1.00 63.54 N ATOM 0 H ASN A 23 -7.282 12.173 0.953 1.00 44.01 H new ATOM 0 HA ASN A 23 -8.921 14.419 1.564 1.00 32.42 H new ATOM 0 HB2 ASN A 23 -7.448 13.621 -0.976 1.00 24.15 H new ATOM 0 HB3 ASN A 23 -8.198 15.183 -0.712 1.00 24.15 H new ATOM 0 HD21 ASN A 23 -5.044 16.322 0.356 1.00 63.54 H new ATOM 0 HD22 ASN A 23 -6.329 16.396 -0.854 1.00 63.54 H new ATOM 352 N LEU A 24 -10.147 12.087 -0.298 1.00 60.21 N ATOM 353 CA LEU A 24 -11.326 11.615 -1.005 1.00 23.35 C ATOM 354 C LEU A 24 -12.144 10.705 -0.100 1.00 44.24 C ATOM 355 O LEU A 24 -11.601 10.061 0.801 1.00 15.10 O ATOM 356 CB LEU A 24 -10.946 10.858 -2.287 1.00 71.44 C ATOM 357 CG LEU A 24 -10.356 11.707 -3.420 1.00 50.43 C ATOM 358 CD1 LEU A 24 -8.923 12.119 -3.113 1.00 53.32 C ATOM 359 CD2 LEU A 24 -10.432 10.953 -4.741 1.00 62.33 C ATOM 0 H LEU A 24 -9.468 11.358 -0.081 1.00 60.21 H new ATOM 0 HA LEU A 24 -11.918 12.486 -1.286 1.00 23.35 H new ATOM 0 HB2 LEU A 24 -10.225 10.083 -2.027 1.00 71.44 H new ATOM 0 HB3 LEU A 24 -11.835 10.353 -2.664 1.00 71.44 H new ATOM 0 HG LEU A 24 -10.949 12.618 -3.505 1.00 50.43 H new ATOM 0 HD11 LEU A 24 -8.533 12.719 -3.935 1.00 53.32 H new ATOM 0 HD12 LEU A 24 -8.902 12.704 -2.194 1.00 53.32 H new ATOM 0 HD13 LEU A 24 -8.307 11.228 -2.990 1.00 53.32 H new ATOM 0 HD21 LEU A 24 -10.010 11.568 -5.536 1.00 62.33 H new ATOM 0 HD22 LEU A 24 -9.868 10.024 -4.663 1.00 62.33 H new ATOM 0 HD23 LEU A 24 -11.473 10.727 -4.972 1.00 62.33 H new ATOM 371 N LYS A 25 -13.445 10.660 -0.342 1.00 13.51 N ATOM 372 CA LYS A 25 -14.340 9.816 0.436 1.00 43.41 C ATOM 373 C LYS A 25 -14.036 8.343 0.180 1.00 63.33 C ATOM 374 O LYS A 25 -13.822 7.565 1.109 1.00 72.22 O ATOM 375 CB LYS A 25 -15.792 10.125 0.076 1.00 20.20 C ATOM 376 CG LYS A 25 -16.803 9.501 1.020 1.00 61.11 C ATOM 377 CD LYS A 25 -18.220 9.874 0.622 1.00 11.43 C ATOM 378 CE LYS A 25 -19.228 9.456 1.678 1.00 44.24 C ATOM 379 NZ LYS A 25 -18.955 10.106 2.987 1.00 5.41 N ATOM 0 H LYS A 25 -13.906 11.200 -1.074 1.00 13.51 H new ATOM 0 HA LYS A 25 -14.186 10.023 1.495 1.00 43.41 H new ATOM 0 HB2 LYS A 25 -15.933 11.206 0.070 1.00 20.20 H new ATOM 0 HB3 LYS A 25 -15.988 9.773 -0.937 1.00 20.20 H new ATOM 0 HG2 LYS A 25 -16.693 8.417 1.012 1.00 61.11 H new ATOM 0 HG3 LYS A 25 -16.608 9.834 2.039 1.00 61.11 H new ATOM 0 HD2 LYS A 25 -18.283 10.951 0.465 1.00 11.43 H new ATOM 0 HD3 LYS A 25 -18.469 9.399 -0.327 1.00 11.43 H new ATOM 0 HE2 LYS A 25 -20.233 9.716 1.345 1.00 44.24 H new ATOM 0 HE3 LYS A 25 -19.202 8.373 1.797 1.00 44.24 H new ATOM 0 HZ1 LYS A 25 -19.819 10.097 3.566 1.00 5.41 H new ATOM 0 HZ2 LYS A 25 -18.201 9.588 3.481 1.00 5.41 H new ATOM 0 HZ3 LYS A 25 -18.654 11.089 2.830 1.00 5.41 H new ATOM 393 N SER A 26 -14.007 7.969 -1.087 1.00 75.24 N ATOM 394 CA SER A 26 -13.698 6.603 -1.468 1.00 33.31 C ATOM 395 C SER A 26 -12.721 6.592 -2.632 1.00 14.32 C ATOM 396 O SER A 26 -13.103 6.811 -3.780 1.00 11.11 O ATOM 397 CB SER A 26 -14.976 5.841 -1.840 1.00 63.03 C ATOM 398 OG SER A 26 -14.683 4.520 -2.279 1.00 64.13 O ATOM 0 H SER A 26 -14.194 8.594 -1.871 1.00 75.24 H new ATOM 0 HA SER A 26 -13.237 6.104 -0.616 1.00 33.31 H new ATOM 0 HB2 SER A 26 -15.641 5.800 -0.978 1.00 63.03 H new ATOM 0 HB3 SER A 26 -15.506 6.378 -2.626 1.00 63.03 H new ATOM 0 HG SER A 26 -15.517 4.059 -2.507 1.00 64.13 H new ATOM 404 N PHE A 27 -11.454 6.365 -2.330 1.00 54.43 N ATOM 405 CA PHE A 27 -10.439 6.251 -3.361 1.00 73.13 C ATOM 406 C PHE A 27 -10.105 4.779 -3.567 1.00 54.41 C ATOM 407 O PHE A 27 -9.260 4.220 -2.874 1.00 55.24 O ATOM 408 CB PHE A 27 -9.187 7.048 -2.975 1.00 14.10 C ATOM 409 CG PHE A 27 -8.159 7.151 -4.066 1.00 14.13 C ATOM 410 CD1 PHE A 27 -8.454 7.803 -5.252 1.00 2.12 C ATOM 411 CD2 PHE A 27 -6.896 6.607 -3.903 1.00 13.31 C ATOM 412 CE1 PHE A 27 -7.509 7.912 -6.254 1.00 14.20 C ATOM 413 CE2 PHE A 27 -5.946 6.712 -4.900 1.00 25.24 C ATOM 414 CZ PHE A 27 -6.255 7.364 -6.079 1.00 41.24 C ATOM 0 H PHE A 27 -11.104 6.256 -1.378 1.00 54.43 H new ATOM 0 HA PHE A 27 -10.819 6.666 -4.294 1.00 73.13 H new ATOM 0 HB2 PHE A 27 -9.487 8.053 -2.679 1.00 14.10 H new ATOM 0 HB3 PHE A 27 -8.729 6.582 -2.103 1.00 14.10 H new ATOM 0 HD1 PHE A 27 -9.435 8.232 -5.395 1.00 2.12 H new ATOM 0 HD2 PHE A 27 -6.651 6.094 -2.985 1.00 13.31 H new ATOM 0 HE1 PHE A 27 -7.752 8.425 -7.173 1.00 14.20 H new ATOM 0 HE2 PHE A 27 -4.964 6.286 -4.759 1.00 25.24 H new ATOM 0 HZ PHE A 27 -5.516 7.444 -6.862 1.00 41.24 H new ATOM 424 N SER A 28 -10.811 4.146 -4.488 1.00 74.45 N ATOM 425 CA SER A 28 -10.649 2.722 -4.717 1.00 62.03 C ATOM 426 C SER A 28 -9.451 2.435 -5.613 1.00 12.44 C ATOM 427 O SER A 28 -9.577 2.335 -6.835 1.00 13.12 O ATOM 428 CB SER A 28 -11.932 2.141 -5.321 1.00 42.35 C ATOM 429 OG SER A 28 -12.381 2.919 -6.423 1.00 40.00 O ATOM 0 H SER A 28 -11.502 4.596 -5.089 1.00 74.45 H new ATOM 0 HA SER A 28 -10.460 2.241 -3.757 1.00 62.03 H new ATOM 0 HB2 SER A 28 -11.752 1.116 -5.646 1.00 42.35 H new ATOM 0 HB3 SER A 28 -12.710 2.102 -4.559 1.00 42.35 H new ATOM 0 HG SER A 28 -11.634 3.080 -7.036 1.00 40.00 H new ATOM 435 N ALA A 29 -8.282 2.338 -5.006 1.00 21.34 N ATOM 436 CA ALA A 29 -7.082 2.010 -5.744 1.00 33.33 C ATOM 437 C ALA A 29 -6.374 0.820 -5.119 1.00 4.35 C ATOM 438 O ALA A 29 -5.489 0.980 -4.280 1.00 32.01 O ATOM 439 CB ALA A 29 -6.150 3.210 -5.822 1.00 43.24 C ATOM 0 H ALA A 29 -8.141 2.482 -4.006 1.00 21.34 H new ATOM 0 HA ALA A 29 -7.372 1.739 -6.759 1.00 33.33 H new ATOM 0 HB1 ALA A 29 -5.255 2.939 -6.381 1.00 43.24 H new ATOM 0 HB2 ALA A 29 -6.658 4.033 -6.325 1.00 43.24 H new ATOM 0 HB3 ALA A 29 -5.869 3.519 -4.815 1.00 43.24 H new ATOM 445 N ASP A 30 -6.798 -0.376 -5.499 1.00 1.42 N ATOM 446 CA ASP A 30 -6.135 -1.587 -5.055 1.00 1.12 C ATOM 447 C ASP A 30 -5.054 -1.978 -6.057 1.00 62.45 C ATOM 448 O ASP A 30 -5.283 -2.723 -7.013 1.00 52.03 O ATOM 449 CB ASP A 30 -7.139 -2.729 -4.824 1.00 75.51 C ATOM 450 CG ASP A 30 -7.998 -3.052 -6.033 1.00 54.42 C ATOM 451 OD1 ASP A 30 -8.636 -2.129 -6.580 1.00 21.53 O ATOM 452 OD2 ASP A 30 -8.069 -4.242 -6.414 1.00 14.15 O ATOM 0 H ASP A 30 -7.597 -0.531 -6.113 1.00 1.42 H new ATOM 0 HA ASP A 30 -5.660 -1.393 -4.093 1.00 1.12 H new ATOM 0 HB2 ASP A 30 -6.592 -3.625 -4.530 1.00 75.51 H new ATOM 0 HB3 ASP A 30 -7.789 -2.464 -3.990 1.00 75.51 H new ATOM 457 N ALA A 31 -3.875 -1.426 -5.845 1.00 53.15 N ATOM 458 CA ALA A 31 -2.766 -1.632 -6.753 1.00 72.13 C ATOM 459 C ALA A 31 -1.999 -2.892 -6.395 1.00 20.31 C ATOM 460 O ALA A 31 -1.723 -3.158 -5.221 1.00 34.21 O ATOM 461 CB ALA A 31 -1.849 -0.419 -6.746 1.00 64.15 C ATOM 0 H ALA A 31 -3.661 -0.828 -5.047 1.00 53.15 H new ATOM 0 HA ALA A 31 -3.163 -1.760 -7.760 1.00 72.13 H new ATOM 0 HB1 ALA A 31 -1.019 -0.586 -7.433 1.00 64.15 H new ATOM 0 HB2 ALA A 31 -2.408 0.462 -7.061 1.00 64.15 H new ATOM 0 HB3 ALA A 31 -1.461 -0.262 -5.740 1.00 64.15 H new ATOM 467 N ARG A 32 -1.690 -3.681 -7.410 1.00 42.23 N ATOM 468 CA ARG A 32 -0.878 -4.867 -7.231 1.00 24.42 C ATOM 469 C ARG A 32 0.573 -4.490 -6.958 1.00 51.25 C ATOM 470 O ARG A 32 1.239 -3.875 -7.795 1.00 23.34 O ATOM 471 CB ARG A 32 -0.965 -5.780 -8.458 1.00 2.52 C ATOM 472 CG ARG A 32 -0.827 -5.048 -9.787 1.00 65.24 C ATOM 473 CD ARG A 32 -0.393 -5.990 -10.897 1.00 3.41 C ATOM 474 NE ARG A 32 1.010 -6.375 -10.751 1.00 41.20 N ATOM 475 CZ ARG A 32 1.436 -7.629 -10.618 1.00 23.21 C ATOM 476 NH1 ARG A 32 0.579 -8.642 -10.651 1.00 53.11 N ATOM 477 NH2 ARG A 32 2.729 -7.871 -10.473 1.00 62.14 N ATOM 0 H ARG A 32 -1.992 -3.518 -8.370 1.00 42.23 H new ATOM 0 HA ARG A 32 -1.265 -5.411 -6.369 1.00 24.42 H new ATOM 0 HB2 ARG A 32 -0.185 -6.538 -8.390 1.00 2.52 H new ATOM 0 HB3 ARG A 32 -1.921 -6.304 -8.441 1.00 2.52 H new ATOM 0 HG2 ARG A 32 -1.779 -4.587 -10.051 1.00 65.24 H new ATOM 0 HG3 ARG A 32 -0.100 -4.242 -9.686 1.00 65.24 H new ATOM 0 HD2 ARG A 32 -1.020 -6.882 -10.885 1.00 3.41 H new ATOM 0 HD3 ARG A 32 -0.541 -5.509 -11.864 1.00 3.41 H new ATOM 0 HE ARG A 32 1.709 -5.633 -10.751 1.00 41.20 H new ATOM 0 HH11 ARG A 32 -0.417 -8.463 -10.779 1.00 53.11 H new ATOM 0 HH12 ARG A 32 0.916 -9.599 -10.548 1.00 53.11 H new ATOM 0 HH21 ARG A 32 3.395 -7.098 -10.463 1.00 62.14 H new ATOM 0 HH22 ARG A 32 3.060 -8.830 -10.371 1.00 62.14 H new ATOM 491 N PHE A 33 1.036 -4.830 -5.769 1.00 31.14 N ATOM 492 CA PHE A 33 2.427 -4.633 -5.402 1.00 51.31 C ATOM 493 C PHE A 33 3.031 -5.947 -4.945 1.00 30.12 C ATOM 494 O PHE A 33 2.396 -6.699 -4.198 1.00 71.25 O ATOM 495 CB PHE A 33 2.569 -3.592 -4.286 1.00 51.03 C ATOM 496 CG PHE A 33 2.225 -2.191 -4.704 1.00 10.40 C ATOM 497 CD1 PHE A 33 3.005 -1.517 -5.631 1.00 12.15 C ATOM 498 CD2 PHE A 33 1.129 -1.541 -4.159 1.00 53.22 C ATOM 499 CE1 PHE A 33 2.696 -0.224 -6.009 1.00 42.42 C ATOM 500 CE2 PHE A 33 0.816 -0.249 -4.533 1.00 3.22 C ATOM 501 CZ PHE A 33 1.600 0.410 -5.460 1.00 31.24 C ATOM 0 H PHE A 33 0.464 -5.247 -5.035 1.00 31.14 H new ATOM 0 HA PHE A 33 2.956 -4.267 -6.282 1.00 51.31 H new ATOM 0 HB2 PHE A 33 1.927 -3.879 -3.453 1.00 51.03 H new ATOM 0 HB3 PHE A 33 3.595 -3.608 -3.918 1.00 51.03 H new ATOM 0 HD1 PHE A 33 3.864 -2.008 -6.063 1.00 12.15 H new ATOM 0 HD2 PHE A 33 0.513 -2.051 -3.433 1.00 53.22 H new ATOM 0 HE1 PHE A 33 3.311 0.289 -6.733 1.00 42.42 H new ATOM 0 HE2 PHE A 33 -0.041 0.246 -4.101 1.00 3.22 H new ATOM 0 HZ PHE A 33 1.356 1.420 -5.755 1.00 31.24 H new ATOM 511 N SER A 34 4.240 -6.231 -5.405 1.00 60.11 N ATOM 512 CA SER A 34 4.955 -7.413 -4.963 1.00 60.13 C ATOM 513 C SER A 34 5.276 -7.281 -3.476 1.00 2.40 C ATOM 514 O SER A 34 5.941 -6.331 -3.058 1.00 51.20 O ATOM 515 CB SER A 34 6.236 -7.600 -5.783 1.00 63.02 C ATOM 516 OG SER A 34 6.867 -8.835 -5.476 1.00 31.00 O ATOM 0 H SER A 34 4.744 -5.659 -6.083 1.00 60.11 H new ATOM 0 HA SER A 34 4.330 -8.293 -5.114 1.00 60.13 H new ATOM 0 HB2 SER A 34 5.999 -7.564 -6.846 1.00 63.02 H new ATOM 0 HB3 SER A 34 6.923 -6.778 -5.582 1.00 63.02 H new ATOM 0 HG SER A 34 7.680 -8.929 -6.014 1.00 31.00 H new ATOM 522 N PRO A 35 4.809 -8.240 -2.657 1.00 70.11 N ATOM 523 CA PRO A 35 4.925 -8.170 -1.196 1.00 63.11 C ATOM 524 C PRO A 35 6.351 -8.379 -0.683 1.00 33.32 C ATOM 525 O PRO A 35 6.563 -8.579 0.515 1.00 23.42 O ATOM 526 CB PRO A 35 4.012 -9.300 -0.716 1.00 3.12 C ATOM 527 CG PRO A 35 3.984 -10.275 -1.840 1.00 40.14 C ATOM 528 CD PRO A 35 4.122 -9.468 -3.101 1.00 0.41 C ATOM 0 HA PRO A 35 4.651 -7.182 -0.825 1.00 63.11 H new ATOM 0 HB2 PRO A 35 4.397 -9.759 0.195 1.00 3.12 H new ATOM 0 HB3 PRO A 35 3.012 -8.930 -0.489 1.00 3.12 H new ATOM 0 HG2 PRO A 35 4.796 -10.997 -1.749 1.00 40.14 H new ATOM 0 HG3 PRO A 35 3.053 -10.841 -1.841 1.00 40.14 H new ATOM 0 HD2 PRO A 35 4.701 -10.000 -3.856 1.00 0.41 H new ATOM 0 HD3 PRO A 35 3.151 -9.246 -3.543 1.00 0.41 H new ATOM 536 N GLN A 36 7.321 -8.324 -1.587 1.00 1.31 N ATOM 537 CA GLN A 36 8.726 -8.394 -1.215 1.00 3.44 C ATOM 538 C GLN A 36 9.278 -6.984 -1.040 1.00 35.24 C ATOM 539 O GLN A 36 10.463 -6.792 -0.766 1.00 3.25 O ATOM 540 CB GLN A 36 9.531 -9.147 -2.282 1.00 60.23 C ATOM 541 CG GLN A 36 9.060 -10.577 -2.520 1.00 5.01 C ATOM 542 CD GLN A 36 9.317 -11.497 -1.338 1.00 44.34 C ATOM 543 OE1 GLN A 36 9.324 -11.071 -0.186 1.00 61.21 O ATOM 544 NE2 GLN A 36 9.543 -12.767 -1.617 1.00 60.11 N ATOM 0 H GLN A 36 7.157 -8.230 -2.589 1.00 1.31 H new ATOM 0 HA GLN A 36 8.815 -8.937 -0.274 1.00 3.44 H new ATOM 0 HB2 GLN A 36 9.475 -8.596 -3.221 1.00 60.23 H new ATOM 0 HB3 GLN A 36 10.580 -9.165 -1.985 1.00 60.23 H new ATOM 0 HG2 GLN A 36 7.993 -10.569 -2.740 1.00 5.01 H new ATOM 0 HG3 GLN A 36 9.564 -10.977 -3.400 1.00 5.01 H new ATOM 0 HE21 GLN A 36 9.530 -13.087 -2.586 1.00 60.11 H new ATOM 0 HE22 GLN A 36 9.731 -13.429 -0.864 1.00 60.11 H new ATOM 553 N MET A 37 8.403 -5.999 -1.218 1.00 72.21 N ATOM 554 CA MET A 37 8.775 -4.598 -1.076 1.00 34.22 C ATOM 555 C MET A 37 8.634 -4.158 0.375 1.00 20.12 C ATOM 556 O MET A 37 7.606 -4.397 1.006 1.00 2.31 O ATOM 557 CB MET A 37 7.897 -3.728 -1.979 1.00 40.23 C ATOM 558 CG MET A 37 8.251 -2.245 -1.944 1.00 51.41 C ATOM 559 SD MET A 37 7.239 -1.258 -3.066 1.00 73.23 S ATOM 560 CE MET A 37 7.610 -2.042 -4.635 1.00 24.23 C ATOM 0 H MET A 37 7.424 -6.149 -1.463 1.00 72.21 H new ATOM 0 HA MET A 37 9.816 -4.480 -1.376 1.00 34.22 H new ATOM 0 HB2 MET A 37 7.980 -4.087 -3.005 1.00 40.23 H new ATOM 0 HB3 MET A 37 6.855 -3.850 -1.682 1.00 40.23 H new ATOM 0 HG2 MET A 37 8.129 -1.871 -0.928 1.00 51.41 H new ATOM 0 HG3 MET A 37 9.302 -2.121 -2.205 1.00 51.41 H new ATOM 0 HE1 MET A 37 7.414 -1.342 -5.447 1.00 24.23 H new ATOM 0 HE2 MET A 37 8.659 -2.337 -4.655 1.00 24.23 H new ATOM 0 HE3 MET A 37 6.982 -2.925 -4.758 1.00 24.23 H new ATOM 570 N SER A 38 9.675 -3.530 0.901 1.00 61.54 N ATOM 571 CA SER A 38 9.670 -3.066 2.280 1.00 21.31 C ATOM 572 C SER A 38 9.177 -1.624 2.372 1.00 10.24 C ATOM 573 O SER A 38 9.151 -0.895 1.374 1.00 3.21 O ATOM 574 CB SER A 38 11.079 -3.174 2.860 1.00 21.40 C ATOM 575 OG SER A 38 12.003 -2.426 2.084 1.00 41.24 O ATOM 0 H SER A 38 10.536 -3.330 0.392 1.00 61.54 H new ATOM 0 HA SER A 38 8.988 -3.693 2.854 1.00 21.31 H new ATOM 0 HB2 SER A 38 11.083 -2.811 3.888 1.00 21.40 H new ATOM 0 HB3 SER A 38 11.385 -4.220 2.890 1.00 21.40 H new ATOM 0 HG SER A 38 12.899 -2.507 2.474 1.00 41.24 H new ATOM 581 N VAL A 39 8.795 -1.213 3.576 1.00 75.23 N ATOM 582 CA VAL A 39 8.387 0.161 3.818 1.00 25.35 C ATOM 583 C VAL A 39 9.583 1.089 3.633 1.00 52.25 C ATOM 584 O VAL A 39 9.449 2.210 3.147 1.00 42.11 O ATOM 585 CB VAL A 39 7.816 0.337 5.241 1.00 21.43 C ATOM 586 CG1 VAL A 39 7.325 1.758 5.459 1.00 24.42 C ATOM 587 CG2 VAL A 39 6.697 -0.660 5.495 1.00 44.40 C ATOM 0 H VAL A 39 8.760 -1.815 4.399 1.00 75.23 H new ATOM 0 HA VAL A 39 7.604 0.412 3.103 1.00 25.35 H new ATOM 0 HB VAL A 39 8.619 0.144 5.953 1.00 21.43 H new ATOM 0 HG11 VAL A 39 6.928 1.855 6.469 1.00 24.42 H new ATOM 0 HG12 VAL A 39 8.154 2.454 5.327 1.00 24.42 H new ATOM 0 HG13 VAL A 39 6.541 1.987 4.737 1.00 24.42 H new ATOM 0 HG21 VAL A 39 6.307 -0.520 6.503 1.00 44.40 H new ATOM 0 HG22 VAL A 39 5.897 -0.501 4.772 1.00 44.40 H new ATOM 0 HG23 VAL A 39 7.083 -1.674 5.393 1.00 44.40 H new ATOM 597 N GLU A 40 10.757 0.588 4.006 1.00 42.44 N ATOM 598 CA GLU A 40 12.005 1.333 3.861 1.00 4.24 C ATOM 599 C GLU A 40 12.243 1.731 2.405 1.00 73.24 C ATOM 600 O GLU A 40 12.629 2.866 2.112 1.00 61.30 O ATOM 601 CB GLU A 40 13.168 0.476 4.369 1.00 25.34 C ATOM 602 CG GLU A 40 14.538 1.111 4.197 1.00 31.11 C ATOM 603 CD GLU A 40 15.650 0.193 4.660 1.00 34.11 C ATOM 604 OE1 GLU A 40 16.038 -0.711 3.887 1.00 10.13 O ATOM 605 OE2 GLU A 40 16.129 0.359 5.798 1.00 14.12 O ATOM 0 H GLU A 40 10.871 -0.340 4.415 1.00 42.44 H new ATOM 0 HA GLU A 40 11.936 2.247 4.451 1.00 4.24 H new ATOM 0 HB2 GLU A 40 13.011 0.261 5.426 1.00 25.34 H new ATOM 0 HB3 GLU A 40 13.155 -0.479 3.845 1.00 25.34 H new ATOM 0 HG2 GLU A 40 14.691 1.365 3.148 1.00 31.11 H new ATOM 0 HG3 GLU A 40 14.579 2.043 4.760 1.00 31.11 H new ATOM 612 N ALA A 41 11.994 0.795 1.499 1.00 75.43 N ATOM 613 CA ALA A 41 12.246 1.007 0.081 1.00 24.05 C ATOM 614 C ALA A 41 11.346 2.094 -0.500 1.00 4.32 C ATOM 615 O ALA A 41 11.823 3.010 -1.171 1.00 10.32 O ATOM 616 CB ALA A 41 12.059 -0.296 -0.679 1.00 25.20 C ATOM 0 H ALA A 41 11.615 -0.125 1.724 1.00 75.43 H new ATOM 0 HA ALA A 41 13.277 1.345 -0.028 1.00 24.05 H new ATOM 0 HB1 ALA A 41 12.249 -0.129 -1.739 1.00 25.20 H new ATOM 0 HB2 ALA A 41 12.756 -1.043 -0.298 1.00 25.20 H new ATOM 0 HB3 ALA A 41 11.037 -0.652 -0.545 1.00 25.20 H new ATOM 622 N VAL A 42 10.049 2.005 -0.222 1.00 11.24 N ATOM 623 CA VAL A 42 9.081 2.923 -0.817 1.00 44.34 C ATOM 624 C VAL A 42 9.283 4.354 -0.308 1.00 62.20 C ATOM 625 O VAL A 42 9.004 5.317 -1.025 1.00 44.20 O ATOM 626 CB VAL A 42 7.624 2.459 -0.563 1.00 42.31 C ATOM 627 CG1 VAL A 42 7.281 2.474 0.917 1.00 25.43 C ATOM 628 CG2 VAL A 42 6.639 3.308 -1.356 1.00 11.51 C ATOM 0 H VAL A 42 9.645 1.312 0.407 1.00 11.24 H new ATOM 0 HA VAL A 42 9.254 2.916 -1.893 1.00 44.34 H new ATOM 0 HB VAL A 42 7.544 1.428 -0.908 1.00 42.31 H new ATOM 0 HG11 VAL A 42 6.252 2.143 1.055 1.00 25.43 H new ATOM 0 HG12 VAL A 42 7.953 1.804 1.453 1.00 25.43 H new ATOM 0 HG13 VAL A 42 7.392 3.486 1.306 1.00 25.43 H new ATOM 0 HG21 VAL A 42 5.623 2.964 -1.162 1.00 11.51 H new ATOM 0 HG22 VAL A 42 6.733 4.351 -1.054 1.00 11.51 H new ATOM 0 HG23 VAL A 42 6.855 3.218 -2.420 1.00 11.51 H new ATOM 638 N LYS A 43 9.791 4.491 0.916 1.00 44.34 N ATOM 639 CA LYS A 43 10.043 5.806 1.492 1.00 40.42 C ATOM 640 C LYS A 43 11.130 6.542 0.720 1.00 25.54 C ATOM 641 O LYS A 43 10.890 7.613 0.159 1.00 0.05 O ATOM 642 CB LYS A 43 10.446 5.688 2.963 1.00 20.51 C ATOM 643 CG LYS A 43 9.327 5.215 3.875 1.00 21.32 C ATOM 644 CD LYS A 43 8.139 6.162 3.845 1.00 51.14 C ATOM 645 CE LYS A 43 7.058 5.729 4.819 1.00 23.10 C ATOM 646 NZ LYS A 43 7.526 5.799 6.230 1.00 2.51 N ATOM 0 H LYS A 43 10.035 3.709 1.524 1.00 44.34 H new ATOM 0 HA LYS A 43 9.117 6.377 1.424 1.00 40.42 H new ATOM 0 HB2 LYS A 43 11.284 4.996 3.045 1.00 20.51 H new ATOM 0 HB3 LYS A 43 10.799 6.659 3.311 1.00 20.51 H new ATOM 0 HG2 LYS A 43 9.006 4.219 3.571 1.00 21.32 H new ATOM 0 HG3 LYS A 43 9.700 5.132 4.896 1.00 21.32 H new ATOM 0 HD2 LYS A 43 8.470 7.171 4.092 1.00 51.14 H new ATOM 0 HD3 LYS A 43 7.728 6.200 2.836 1.00 51.14 H new ATOM 0 HE2 LYS A 43 6.181 6.364 4.695 1.00 23.10 H new ATOM 0 HE3 LYS A 43 6.748 4.710 4.589 1.00 23.10 H new ATOM 0 HZ1 LYS A 43 6.707 5.763 6.870 1.00 2.51 H new ATOM 0 HZ2 LYS A 43 8.155 4.994 6.428 1.00 2.51 H new ATOM 0 HZ3 LYS A 43 8.044 6.688 6.380 1.00 2.51 H new ATOM 660 N GLU A 44 12.323 5.956 0.677 1.00 53.34 N ATOM 661 CA GLU A 44 13.461 6.601 0.033 1.00 22.24 C ATOM 662 C GLU A 44 13.276 6.705 -1.475 1.00 1.02 C ATOM 663 O GLU A 44 13.856 7.581 -2.107 1.00 63.30 O ATOM 664 CB GLU A 44 14.763 5.873 0.356 1.00 74.21 C ATOM 665 CG GLU A 44 15.285 6.175 1.749 1.00 34.35 C ATOM 666 CD GLU A 44 16.578 5.452 2.057 1.00 53.31 C ATOM 667 OE1 GLU A 44 16.512 4.290 2.510 1.00 22.45 O ATOM 668 OE2 GLU A 44 17.663 6.041 1.848 1.00 60.11 O ATOM 0 H GLU A 44 12.526 5.040 1.078 1.00 53.34 H new ATOM 0 HA GLU A 44 13.519 7.613 0.434 1.00 22.24 H new ATOM 0 HB2 GLU A 44 14.605 4.799 0.259 1.00 74.21 H new ATOM 0 HB3 GLU A 44 15.520 6.152 -0.377 1.00 74.21 H new ATOM 0 HG2 GLU A 44 15.441 7.249 1.849 1.00 34.35 H new ATOM 0 HG3 GLU A 44 14.531 5.893 2.484 1.00 34.35 H new ATOM 675 N LYS A 45 12.461 5.823 -2.042 1.00 23.11 N ATOM 676 CA LYS A 45 12.185 5.849 -3.475 1.00 41.03 C ATOM 677 C LYS A 45 11.545 7.178 -3.875 1.00 72.53 C ATOM 678 O LYS A 45 11.919 7.783 -4.882 1.00 0.45 O ATOM 679 CB LYS A 45 11.270 4.686 -3.860 1.00 1.34 C ATOM 680 CG LYS A 45 11.013 4.569 -5.357 1.00 4.41 C ATOM 681 CD LYS A 45 10.153 3.355 -5.673 1.00 74.43 C ATOM 682 CE LYS A 45 10.818 2.067 -5.214 1.00 32.25 C ATOM 683 NZ LYS A 45 9.983 0.872 -5.502 1.00 3.43 N ATOM 0 H LYS A 45 11.980 5.082 -1.533 1.00 23.11 H new ATOM 0 HA LYS A 45 13.129 5.745 -4.009 1.00 41.03 H new ATOM 0 HB2 LYS A 45 11.713 3.756 -3.504 1.00 1.34 H new ATOM 0 HB3 LYS A 45 10.316 4.802 -3.346 1.00 1.34 H new ATOM 0 HG2 LYS A 45 10.519 5.472 -5.716 1.00 4.41 H new ATOM 0 HG3 LYS A 45 11.962 4.494 -5.887 1.00 4.41 H new ATOM 0 HD2 LYS A 45 9.183 3.458 -5.187 1.00 74.43 H new ATOM 0 HD3 LYS A 45 9.968 3.308 -6.746 1.00 74.43 H new ATOM 0 HE2 LYS A 45 11.783 1.962 -5.709 1.00 32.25 H new ATOM 0 HE3 LYS A 45 11.013 2.122 -4.143 1.00 32.25 H new ATOM 0 HZ1 LYS A 45 10.475 0.017 -5.172 1.00 3.43 H new ATOM 0 HZ2 LYS A 45 9.071 0.959 -5.009 1.00 3.43 H new ATOM 0 HZ3 LYS A 45 9.817 0.803 -6.526 1.00 3.43 H new ATOM 697 N LEU A 46 10.591 7.633 -3.074 1.00 53.25 N ATOM 698 CA LEU A 46 9.946 8.914 -3.317 1.00 30.00 C ATOM 699 C LEU A 46 10.797 10.046 -2.758 1.00 51.52 C ATOM 700 O LEU A 46 10.809 11.155 -3.293 1.00 75.43 O ATOM 701 CB LEU A 46 8.552 8.941 -2.682 1.00 31.33 C ATOM 702 CG LEU A 46 7.570 7.898 -3.219 1.00 23.04 C ATOM 703 CD1 LEU A 46 6.241 8.001 -2.490 1.00 21.43 C ATOM 704 CD2 LEU A 46 7.368 8.071 -4.719 1.00 43.15 C ATOM 0 H LEU A 46 10.248 7.135 -2.253 1.00 53.25 H new ATOM 0 HA LEU A 46 9.841 9.050 -4.393 1.00 30.00 H new ATOM 0 HB2 LEU A 46 8.658 8.797 -1.607 1.00 31.33 H new ATOM 0 HB3 LEU A 46 8.122 9.932 -2.830 1.00 31.33 H new ATOM 0 HG LEU A 46 7.989 6.908 -3.042 1.00 23.04 H new ATOM 0 HD11 LEU A 46 5.552 7.253 -2.882 1.00 21.43 H new ATOM 0 HD12 LEU A 46 6.396 7.829 -1.425 1.00 21.43 H new ATOM 0 HD13 LEU A 46 5.820 8.995 -2.639 1.00 21.43 H new ATOM 0 HD21 LEU A 46 6.666 7.319 -5.081 1.00 43.15 H new ATOM 0 HD22 LEU A 46 6.970 9.066 -4.920 1.00 43.15 H new ATOM 0 HD23 LEU A 46 8.323 7.952 -5.231 1.00 43.15 H new ATOM 716 N TRP A 47 11.523 9.745 -1.690 1.00 52.42 N ATOM 717 CA TRP A 47 12.384 10.716 -1.030 1.00 52.20 C ATOM 718 C TRP A 47 13.455 11.242 -1.987 1.00 50.22 C ATOM 719 O TRP A 47 13.633 12.450 -2.121 1.00 21.23 O ATOM 720 CB TRP A 47 13.029 10.072 0.196 1.00 63.24 C ATOM 721 CG TRP A 47 13.870 11.003 1.013 1.00 63.14 C ATOM 722 CD1 TRP A 47 13.430 11.990 1.845 1.00 61.31 C ATOM 723 CD2 TRP A 47 15.298 11.017 1.090 1.00 44.41 C ATOM 724 NE1 TRP A 47 14.501 12.623 2.431 1.00 44.41 N ATOM 725 CE2 TRP A 47 15.659 12.045 1.980 1.00 44.05 C ATOM 726 CE3 TRP A 47 16.306 10.261 0.486 1.00 11.31 C ATOM 727 CZ2 TRP A 47 16.987 12.334 2.283 1.00 41.41 C ATOM 728 CZ3 TRP A 47 17.622 10.549 0.788 1.00 34.40 C ATOM 729 CH2 TRP A 47 17.951 11.578 1.678 1.00 11.14 C ATOM 0 H TRP A 47 11.532 8.821 -1.257 1.00 52.42 H new ATOM 0 HA TRP A 47 11.778 11.565 -0.715 1.00 52.20 H new ATOM 0 HB2 TRP A 47 12.244 9.660 0.830 1.00 63.24 H new ATOM 0 HB3 TRP A 47 13.647 9.236 -0.131 1.00 63.24 H new ATOM 0 HD1 TRP A 47 12.393 12.238 2.018 1.00 61.31 H new ATOM 0 HE1 TRP A 47 14.443 13.397 3.093 1.00 44.41 H new ATOM 0 HE3 TRP A 47 16.060 9.467 -0.204 1.00 11.31 H new ATOM 0 HZ2 TRP A 47 17.245 13.126 2.970 1.00 41.41 H new ATOM 0 HZ3 TRP A 47 18.411 9.971 0.330 1.00 34.40 H new ATOM 0 HH2 TRP A 47 18.990 11.779 1.891 1.00 11.14 H new ATOM 740 N LYS A 48 14.152 10.333 -2.667 1.00 2.41 N ATOM 741 CA LYS A 48 15.204 10.722 -3.607 1.00 60.01 C ATOM 742 C LYS A 48 14.610 11.400 -4.840 1.00 12.42 C ATOM 743 O LYS A 48 15.270 12.201 -5.506 1.00 31.25 O ATOM 744 CB LYS A 48 16.025 9.499 -4.037 1.00 11.11 C ATOM 745 CG LYS A 48 15.190 8.402 -4.689 1.00 60.35 C ATOM 746 CD LYS A 48 16.046 7.253 -5.197 1.00 3.04 C ATOM 747 CE LYS A 48 16.886 7.669 -6.391 1.00 25.22 C ATOM 748 NZ LYS A 48 17.670 6.533 -6.944 1.00 31.41 N ATOM 0 H LYS A 48 14.009 9.326 -2.586 1.00 2.41 H new ATOM 0 HA LYS A 48 15.859 11.429 -3.098 1.00 60.01 H new ATOM 0 HB2 LYS A 48 16.799 9.818 -4.735 1.00 11.11 H new ATOM 0 HB3 LYS A 48 16.533 9.088 -3.165 1.00 11.11 H new ATOM 0 HG2 LYS A 48 14.466 8.022 -3.968 1.00 60.35 H new ATOM 0 HG3 LYS A 48 14.623 8.824 -5.518 1.00 60.35 H new ATOM 0 HD2 LYS A 48 16.698 6.903 -4.397 1.00 3.04 H new ATOM 0 HD3 LYS A 48 15.405 6.416 -5.476 1.00 3.04 H new ATOM 0 HE2 LYS A 48 16.237 8.073 -7.168 1.00 25.22 H new ATOM 0 HE3 LYS A 48 17.565 8.468 -6.095 1.00 25.22 H new ATOM 0 HZ1 LYS A 48 18.229 6.860 -7.757 1.00 31.41 H new ATOM 0 HZ2 LYS A 48 18.309 6.163 -6.211 1.00 31.41 H new ATOM 0 HZ3 LYS A 48 17.021 5.780 -7.250 1.00 31.41 H new ATOM 762 N LYS A 49 13.360 11.080 -5.130 1.00 15.32 N ATOM 763 CA LYS A 49 12.703 11.563 -6.334 1.00 13.20 C ATOM 764 C LYS A 49 12.186 12.986 -6.148 1.00 44.11 C ATOM 765 O LYS A 49 12.452 13.868 -6.968 1.00 13.11 O ATOM 766 CB LYS A 49 11.549 10.626 -6.702 1.00 61.30 C ATOM 767 CG LYS A 49 10.901 10.934 -8.043 1.00 45.10 C ATOM 768 CD LYS A 49 9.709 10.026 -8.303 1.00 21.22 C ATOM 769 CE LYS A 49 10.109 8.557 -8.310 1.00 24.12 C ATOM 770 NZ LYS A 49 11.004 8.218 -9.451 1.00 22.31 N ATOM 0 H LYS A 49 12.776 10.484 -4.544 1.00 15.32 H new ATOM 0 HA LYS A 49 13.433 11.576 -7.143 1.00 13.20 H new ATOM 0 HB2 LYS A 49 11.918 9.601 -6.716 1.00 61.30 H new ATOM 0 HB3 LYS A 49 10.789 10.680 -5.923 1.00 61.30 H new ATOM 0 HG2 LYS A 49 10.579 11.975 -8.063 1.00 45.10 H new ATOM 0 HG3 LYS A 49 11.634 10.812 -8.840 1.00 45.10 H new ATOM 0 HD2 LYS A 49 8.951 10.193 -7.538 1.00 21.22 H new ATOM 0 HD3 LYS A 49 9.257 10.284 -9.261 1.00 21.22 H new ATOM 0 HE2 LYS A 49 10.612 8.316 -7.373 1.00 24.12 H new ATOM 0 HE3 LYS A 49 9.212 7.939 -8.359 1.00 24.12 H new ATOM 0 HZ1 LYS A 49 11.194 7.195 -9.452 1.00 22.31 H new ATOM 0 HZ2 LYS A 49 10.544 8.485 -10.345 1.00 22.31 H new ATOM 0 HZ3 LYS A 49 11.901 8.736 -9.355 1.00 22.31 H new ATOM 784 N CYS A 50 11.453 13.213 -5.069 1.00 65.13 N ATOM 785 CA CYS A 50 10.833 14.511 -4.826 1.00 54.22 C ATOM 786 C CYS A 50 11.720 15.406 -3.967 1.00 4.13 C ATOM 787 O CYS A 50 11.727 16.627 -4.134 1.00 73.43 O ATOM 788 CB CYS A 50 9.475 14.315 -4.156 1.00 51.15 C ATOM 789 SG CYS A 50 8.335 13.274 -5.098 1.00 1.24 S ATOM 0 H CYS A 50 11.272 12.517 -4.346 1.00 65.13 H new ATOM 0 HA CYS A 50 10.698 15.007 -5.787 1.00 54.22 H new ATOM 0 HB2 CYS A 50 9.627 13.872 -3.172 1.00 51.15 H new ATOM 0 HB3 CYS A 50 9.015 15.290 -3.998 1.00 51.15 H new ATOM 0 HG CYS A 50 7.213 13.164 -4.451 1.00 1.24 H new ATOM 795 N GLY A 51 12.472 14.800 -3.057 1.00 14.21 N ATOM 796 CA GLY A 51 13.299 15.571 -2.149 1.00 24.32 C ATOM 797 C GLY A 51 12.474 16.295 -1.102 1.00 61.44 C ATOM 798 O GLY A 51 12.597 17.511 -0.936 1.00 52.12 O ATOM 0 H GLY A 51 12.524 13.789 -2.932 1.00 14.21 H new ATOM 0 HA2 GLY A 51 14.010 14.908 -1.655 1.00 24.32 H new ATOM 0 HA3 GLY A 51 13.881 16.297 -2.717 1.00 24.32 H new ATOM 802 N THR A 52 11.636 15.549 -0.396 1.00 53.34 N ATOM 803 CA THR A 52 10.741 16.130 0.592 1.00 3.14 C ATOM 804 C THR A 52 10.543 15.168 1.762 1.00 21.23 C ATOM 805 O THR A 52 10.779 13.966 1.631 1.00 2.40 O ATOM 806 CB THR A 52 9.372 16.480 -0.038 1.00 61.13 C ATOM 807 OG1 THR A 52 8.521 17.114 0.928 1.00 34.34 O ATOM 808 CG2 THR A 52 8.683 15.234 -0.583 1.00 14.45 C ATOM 0 H THR A 52 11.558 14.536 -0.490 1.00 53.34 H new ATOM 0 HA THR A 52 11.198 17.049 0.959 1.00 3.14 H new ATOM 0 HB THR A 52 9.555 17.167 -0.864 1.00 61.13 H new ATOM 0 HG1 THR A 52 7.660 17.330 0.513 1.00 34.34 H new ATOM 0 HG21 THR A 52 7.723 15.510 -1.020 1.00 14.45 H new ATOM 0 HG22 THR A 52 9.311 14.776 -1.347 1.00 14.45 H new ATOM 0 HG23 THR A 52 8.522 14.524 0.228 1.00 14.45 H new ATOM 816 N SER A 53 10.118 15.699 2.900 1.00 41.11 N ATOM 817 CA SER A 53 9.883 14.887 4.078 1.00 41.13 C ATOM 818 C SER A 53 8.446 14.373 4.102 1.00 40.33 C ATOM 819 O SER A 53 7.491 15.150 4.135 1.00 2.13 O ATOM 820 CB SER A 53 10.179 15.699 5.338 1.00 64.33 C ATOM 821 OG SER A 53 9.544 16.968 5.282 1.00 71.42 O ATOM 0 H SER A 53 9.929 16.693 3.029 1.00 41.11 H new ATOM 0 HA SER A 53 10.551 14.026 4.046 1.00 41.13 H new ATOM 0 HB2 SER A 53 9.834 15.154 6.217 1.00 64.33 H new ATOM 0 HB3 SER A 53 11.256 15.831 5.446 1.00 64.33 H new ATOM 0 HG SER A 53 8.644 16.867 4.908 1.00 71.42 H new ATOM 827 N VAL A 54 8.300 13.057 4.084 1.00 42.05 N ATOM 828 CA VAL A 54 6.984 12.428 4.104 1.00 21.24 C ATOM 829 C VAL A 54 6.517 12.169 5.538 1.00 45.44 C ATOM 830 O VAL A 54 5.936 11.129 5.844 1.00 12.25 O ATOM 831 CB VAL A 54 6.985 11.102 3.308 1.00 74.14 C ATOM 832 CG1 VAL A 54 7.076 11.374 1.813 1.00 53.22 C ATOM 833 CG2 VAL A 54 8.133 10.201 3.748 1.00 2.51 C ATOM 0 H VAL A 54 9.079 12.399 4.055 1.00 42.05 H new ATOM 0 HA VAL A 54 6.289 13.120 3.629 1.00 21.24 H new ATOM 0 HB VAL A 54 6.046 10.588 3.515 1.00 74.14 H new ATOM 0 HG11 VAL A 54 7.075 10.429 1.270 1.00 53.22 H new ATOM 0 HG12 VAL A 54 6.221 11.973 1.499 1.00 53.22 H new ATOM 0 HG13 VAL A 54 7.997 11.916 1.597 1.00 53.22 H new ATOM 0 HG21 VAL A 54 8.110 9.276 3.173 1.00 2.51 H new ATOM 0 HG22 VAL A 54 9.081 10.711 3.578 1.00 2.51 H new ATOM 0 HG23 VAL A 54 8.029 9.971 4.808 1.00 2.51 H new ATOM 843 N ASN A 55 6.739 13.144 6.404 1.00 41.22 N ATOM 844 CA ASN A 55 6.401 13.008 7.815 1.00 61.03 C ATOM 845 C ASN A 55 4.924 13.301 8.058 1.00 3.22 C ATOM 846 O ASN A 55 4.286 12.675 8.903 1.00 45.40 O ATOM 847 CB ASN A 55 7.272 13.943 8.659 1.00 33.04 C ATOM 848 CG ASN A 55 6.947 13.883 10.143 1.00 52.22 C ATOM 849 OD1 ASN A 55 7.482 13.049 10.874 1.00 72.25 O ATOM 850 ND2 ASN A 55 6.089 14.782 10.602 1.00 61.22 N ATOM 0 H ASN A 55 7.153 14.042 6.155 1.00 41.22 H new ATOM 0 HA ASN A 55 6.594 11.977 8.112 1.00 61.03 H new ATOM 0 HB2 ASN A 55 8.321 13.684 8.512 1.00 33.04 H new ATOM 0 HB3 ASN A 55 7.144 14.966 8.306 1.00 33.04 H new ATOM 0 HD21 ASN A 55 5.851 14.800 11.594 1.00 61.22 H new ATOM 0 HD22 ASN A 55 5.667 15.457 9.964 1.00 61.22 H new ATOM 857 N SER A 56 4.377 14.243 7.301 1.00 71.33 N ATOM 858 CA SER A 56 2.988 14.656 7.468 1.00 35.14 C ATOM 859 C SER A 56 2.031 13.727 6.722 1.00 5.30 C ATOM 860 O SER A 56 0.822 13.965 6.675 1.00 31.21 O ATOM 861 CB SER A 56 2.835 16.090 6.977 1.00 13.22 C ATOM 862 OG SER A 56 3.685 16.332 5.867 1.00 72.22 O ATOM 0 H SER A 56 4.876 14.738 6.562 1.00 71.33 H new ATOM 0 HA SER A 56 2.730 14.599 8.525 1.00 35.14 H new ATOM 0 HB2 SER A 56 1.798 16.275 6.695 1.00 13.22 H new ATOM 0 HB3 SER A 56 3.074 16.783 7.783 1.00 13.22 H new ATOM 0 HG SER A 56 3.821 17.297 5.763 1.00 72.22 H new ATOM 868 N MET A 57 2.578 12.669 6.150 1.00 21.33 N ATOM 869 CA MET A 57 1.779 11.693 5.434 1.00 22.42 C ATOM 870 C MET A 57 1.903 10.336 6.109 1.00 12.54 C ATOM 871 O MET A 57 2.844 9.585 5.850 1.00 33.04 O ATOM 872 CB MET A 57 2.227 11.615 3.972 1.00 0.23 C ATOM 873 CG MET A 57 1.320 10.774 3.091 1.00 60.14 C ATOM 874 SD MET A 57 1.837 10.784 1.362 1.00 5.11 S ATOM 875 CE MET A 57 1.827 12.544 1.019 1.00 61.21 C ATOM 0 H MET A 57 3.577 12.464 6.168 1.00 21.33 H new ATOM 0 HA MET A 57 0.733 11.999 5.454 1.00 22.42 H new ATOM 0 HB2 MET A 57 2.278 12.625 3.564 1.00 0.23 H new ATOM 0 HB3 MET A 57 3.236 11.204 3.933 1.00 0.23 H new ATOM 0 HG2 MET A 57 1.311 9.748 3.459 1.00 60.14 H new ATOM 0 HG3 MET A 57 0.299 11.148 3.164 1.00 60.14 H new ATOM 0 HE1 MET A 57 1.457 12.716 0.008 1.00 61.21 H new ATOM 0 HE2 MET A 57 1.178 13.050 1.734 1.00 61.21 H new ATOM 0 HE3 MET A 57 2.840 12.937 1.106 1.00 61.21 H new ATOM 885 N ALA A 58 0.964 10.037 6.995 1.00 20.10 N ATOM 886 CA ALA A 58 1.023 8.817 7.788 1.00 2.43 C ATOM 887 C ALA A 58 0.280 7.679 7.102 1.00 22.53 C ATOM 888 O ALA A 58 -0.639 7.907 6.312 1.00 72.41 O ATOM 889 CB ALA A 58 0.456 9.062 9.177 1.00 14.25 C ATOM 0 H ALA A 58 0.151 10.623 7.183 1.00 20.10 H new ATOM 0 HA ALA A 58 2.069 8.525 7.882 1.00 2.43 H new ATOM 0 HB1 ALA A 58 0.507 8.141 9.758 1.00 14.25 H new ATOM 0 HB2 ALA A 58 1.037 9.838 9.675 1.00 14.25 H new ATOM 0 HB3 ALA A 58 -0.583 9.382 9.095 1.00 14.25 H new ATOM 895 N LEU A 59 0.673 6.454 7.414 1.00 72.44 N ATOM 896 CA LEU A 59 0.068 5.285 6.805 1.00 2.02 C ATOM 897 C LEU A 59 -0.655 4.447 7.848 1.00 54.15 C ATOM 898 O LEU A 59 -0.039 3.651 8.562 1.00 42.01 O ATOM 899 CB LEU A 59 1.126 4.444 6.087 1.00 23.54 C ATOM 900 CG LEU A 59 1.839 5.147 4.934 1.00 53.31 C ATOM 901 CD1 LEU A 59 2.899 4.236 4.332 1.00 43.45 C ATOM 902 CD2 LEU A 59 0.835 5.579 3.873 1.00 44.20 C ATOM 0 H LEU A 59 1.410 6.246 8.087 1.00 72.44 H new ATOM 0 HA LEU A 59 -0.662 5.625 6.071 1.00 2.02 H new ATOM 0 HB2 LEU A 59 1.872 4.127 6.816 1.00 23.54 H new ATOM 0 HB3 LEU A 59 0.651 3.541 5.704 1.00 23.54 H new ATOM 0 HG LEU A 59 2.333 6.038 5.321 1.00 53.31 H new ATOM 0 HD11 LEU A 59 3.398 4.751 3.511 1.00 43.45 H new ATOM 0 HD12 LEU A 59 3.631 3.975 5.096 1.00 43.45 H new ATOM 0 HD13 LEU A 59 2.428 3.328 3.957 1.00 43.45 H new ATOM 0 HD21 LEU A 59 1.359 6.078 3.058 1.00 44.20 H new ATOM 0 HD22 LEU A 59 0.314 4.703 3.487 1.00 44.20 H new ATOM 0 HD23 LEU A 59 0.112 6.265 4.314 1.00 44.20 H new ATOM 914 N GLU A 60 -1.958 4.652 7.954 1.00 72.11 N ATOM 915 CA GLU A 60 -2.781 3.870 8.859 1.00 13.24 C ATOM 916 C GLU A 60 -3.159 2.548 8.206 1.00 62.44 C ATOM 917 O GLU A 60 -4.145 2.457 7.473 1.00 5.50 O ATOM 918 CB GLU A 60 -4.032 4.652 9.257 1.00 73.51 C ATOM 919 CG GLU A 60 -3.762 5.781 10.236 1.00 4.13 C ATOM 920 CD GLU A 60 -3.571 5.294 11.659 1.00 73.42 C ATOM 921 OE1 GLU A 60 -4.588 5.128 12.369 1.00 35.32 O ATOM 922 OE2 GLU A 60 -2.413 5.086 12.080 1.00 21.54 O ATOM 0 H GLU A 60 -2.469 5.356 7.422 1.00 72.11 H new ATOM 0 HA GLU A 60 -2.210 3.662 9.764 1.00 13.24 H new ATOM 0 HB2 GLU A 60 -4.493 5.064 8.359 1.00 73.51 H new ATOM 0 HB3 GLU A 60 -4.754 3.965 9.699 1.00 73.51 H new ATOM 0 HG2 GLU A 60 -2.871 6.324 9.920 1.00 4.13 H new ATOM 0 HG3 GLU A 60 -4.592 6.487 10.207 1.00 4.13 H new ATOM 929 N LEU A 61 -2.333 1.543 8.443 1.00 42.01 N ATOM 930 CA LEU A 61 -2.562 0.218 7.896 1.00 34.31 C ATOM 931 C LEU A 61 -3.555 -0.548 8.763 1.00 21.51 C ATOM 932 O LEU A 61 -3.202 -1.049 9.830 1.00 13.43 O ATOM 933 CB LEU A 61 -1.236 -0.542 7.803 1.00 3.15 C ATOM 934 CG LEU A 61 -1.318 -1.943 7.198 1.00 24.14 C ATOM 935 CD1 LEU A 61 -1.839 -1.882 5.772 1.00 54.35 C ATOM 936 CD2 LEU A 61 0.044 -2.620 7.241 1.00 35.33 C ATOM 0 H LEU A 61 -1.492 1.622 9.015 1.00 42.01 H new ATOM 0 HA LEU A 61 -2.983 0.315 6.895 1.00 34.31 H new ATOM 0 HB2 LEU A 61 -0.539 0.050 7.210 1.00 3.15 H new ATOM 0 HB3 LEU A 61 -0.813 -0.622 8.804 1.00 3.15 H new ATOM 0 HG LEU A 61 -2.017 -2.533 7.791 1.00 24.14 H new ATOM 0 HD11 LEU A 61 -1.890 -2.890 5.360 1.00 54.35 H new ATOM 0 HD12 LEU A 61 -2.834 -1.437 5.767 1.00 54.35 H new ATOM 0 HD13 LEU A 61 -1.167 -1.275 5.165 1.00 54.35 H new ATOM 0 HD21 LEU A 61 -0.031 -3.617 6.807 1.00 35.33 H new ATOM 0 HD22 LEU A 61 0.762 -2.029 6.672 1.00 35.33 H new ATOM 0 HD23 LEU A 61 0.378 -2.699 8.275 1.00 35.33 H new ATOM 948 N TYR A 62 -4.795 -0.615 8.311 1.00 33.21 N ATOM 949 CA TYR A 62 -5.845 -1.290 9.057 1.00 34.20 C ATOM 950 C TYR A 62 -6.073 -2.696 8.529 1.00 70.13 C ATOM 951 O TYR A 62 -5.711 -3.017 7.391 1.00 54.34 O ATOM 952 CB TYR A 62 -7.159 -0.506 8.983 1.00 22.21 C ATOM 953 CG TYR A 62 -7.095 0.883 9.574 1.00 13.55 C ATOM 954 CD1 TYR A 62 -6.758 1.077 10.907 1.00 41.30 C ATOM 955 CD2 TYR A 62 -7.382 2.000 8.799 1.00 4.14 C ATOM 956 CE1 TYR A 62 -6.704 2.344 11.450 1.00 13.13 C ATOM 957 CE2 TYR A 62 -7.332 3.270 9.336 1.00 43.12 C ATOM 958 CZ TYR A 62 -6.995 3.436 10.662 1.00 73.50 C ATOM 959 OH TYR A 62 -6.939 4.700 11.201 1.00 10.44 O ATOM 0 H TYR A 62 -5.101 -0.209 7.427 1.00 33.21 H new ATOM 0 HA TYR A 62 -5.518 -1.348 10.095 1.00 34.20 H new ATOM 0 HB2 TYR A 62 -7.463 -0.429 7.939 1.00 22.21 H new ATOM 0 HB3 TYR A 62 -7.934 -1.072 9.500 1.00 22.21 H new ATOM 0 HD1 TYR A 62 -6.535 0.222 11.529 1.00 41.30 H new ATOM 0 HD2 TYR A 62 -7.648 1.872 7.760 1.00 4.14 H new ATOM 0 HE1 TYR A 62 -6.435 2.479 12.487 1.00 13.13 H new ATOM 0 HE2 TYR A 62 -7.556 4.129 8.721 1.00 43.12 H new ATOM 0 HH TYR A 62 -6.055 4.847 11.598 1.00 10.44 H new ATOM 969 N ASP A 63 -6.671 -3.530 9.363 1.00 15.43 N ATOM 970 CA ASP A 63 -7.047 -4.876 8.968 1.00 44.01 C ATOM 971 C ASP A 63 -8.557 -4.934 8.732 1.00 3.35 C ATOM 972 O ASP A 63 -9.206 -3.893 8.608 1.00 21.50 O ATOM 973 CB ASP A 63 -6.633 -5.882 10.050 1.00 32.45 C ATOM 974 CG ASP A 63 -7.548 -5.870 11.261 1.00 34.54 C ATOM 975 OD1 ASP A 63 -7.855 -4.780 11.787 1.00 12.10 O ATOM 976 OD2 ASP A 63 -7.979 -6.963 11.680 1.00 14.53 O ATOM 0 H ASP A 63 -6.908 -3.295 10.327 1.00 15.43 H new ATOM 0 HA ASP A 63 -6.532 -5.138 8.044 1.00 44.01 H new ATOM 0 HB2 ASP A 63 -6.623 -6.884 9.620 1.00 32.45 H new ATOM 0 HB3 ASP A 63 -5.615 -5.662 10.370 1.00 32.45 H new ATOM 981 N ASP A 64 -9.114 -6.136 8.674 1.00 55.52 N ATOM 982 CA ASP A 64 -10.546 -6.295 8.430 1.00 32.32 C ATOM 983 C ASP A 64 -11.344 -6.039 9.708 1.00 41.51 C ATOM 984 O ASP A 64 -12.503 -5.623 9.654 1.00 2.32 O ATOM 985 CB ASP A 64 -10.850 -7.696 7.894 1.00 22.53 C ATOM 986 CG ASP A 64 -12.266 -7.819 7.357 1.00 34.22 C ATOM 987 OD1 ASP A 64 -13.187 -8.134 8.139 1.00 24.43 O ATOM 988 OD2 ASP A 64 -12.469 -7.605 6.139 1.00 64.45 O ATOM 0 H ASP A 64 -8.603 -7.011 8.791 1.00 55.52 H new ATOM 0 HA ASP A 64 -10.843 -5.562 7.681 1.00 32.32 H new ATOM 0 HB2 ASP A 64 -10.142 -7.940 7.102 1.00 22.53 H new ATOM 0 HB3 ASP A 64 -10.702 -8.426 8.690 1.00 22.53 H new ATOM 993 N SER A 65 -10.720 -6.282 10.856 1.00 31.11 N ATOM 994 CA SER A 65 -11.376 -6.065 12.138 1.00 51.24 C ATOM 995 C SER A 65 -11.534 -4.569 12.399 1.00 73.53 C ATOM 996 O SER A 65 -12.603 -4.104 12.798 1.00 74.13 O ATOM 997 CB SER A 65 -10.576 -6.724 13.267 1.00 1.30 C ATOM 998 OG SER A 65 -11.291 -6.705 14.491 1.00 40.12 O ATOM 0 H SER A 65 -9.763 -6.628 10.924 1.00 31.11 H new ATOM 0 HA SER A 65 -12.365 -6.521 12.107 1.00 51.24 H new ATOM 0 HB2 SER A 65 -10.344 -7.754 12.996 1.00 1.30 H new ATOM 0 HB3 SER A 65 -9.626 -6.205 13.392 1.00 1.30 H new ATOM 0 HG SER A 65 -10.754 -7.134 15.190 1.00 40.12 H new ATOM 1004 N GLY A 66 -10.468 -3.818 12.157 1.00 4.01 N ATOM 1005 CA GLY A 66 -10.525 -2.381 12.339 1.00 2.22 C ATOM 1006 C GLY A 66 -9.443 -1.877 13.266 1.00 21.43 C ATOM 1007 O GLY A 66 -9.646 -0.918 14.013 1.00 72.32 O ATOM 0 H GLY A 66 -9.568 -4.177 11.839 1.00 4.01 H new ATOM 0 HA2 GLY A 66 -10.428 -1.890 11.371 1.00 2.22 H new ATOM 0 HA3 GLY A 66 -11.501 -2.106 12.740 1.00 2.22 H new ATOM 1011 N SER A 67 -8.293 -2.525 13.229 1.00 25.12 N ATOM 1012 CA SER A 67 -7.163 -2.119 14.041 1.00 2.21 C ATOM 1013 C SER A 67 -5.951 -1.876 13.154 1.00 70.43 C ATOM 1014 O SER A 67 -5.881 -2.391 12.035 1.00 20.44 O ATOM 1015 CB SER A 67 -6.860 -3.202 15.075 1.00 31.14 C ATOM 1016 OG SER A 67 -8.040 -3.570 15.776 1.00 22.23 O ATOM 0 H SER A 67 -8.118 -3.340 12.641 1.00 25.12 H new ATOM 0 HA SER A 67 -7.404 -1.192 14.562 1.00 2.21 H new ATOM 0 HB2 SER A 67 -6.437 -4.076 14.580 1.00 31.14 H new ATOM 0 HB3 SER A 67 -6.110 -2.840 15.779 1.00 31.14 H new ATOM 0 HG SER A 67 -7.827 -4.266 16.433 1.00 22.23 H new ATOM 1022 N LYS A 68 -5.000 -1.093 13.638 1.00 53.23 N ATOM 1023 CA LYS A 68 -3.808 -0.811 12.859 1.00 4.14 C ATOM 1024 C LYS A 68 -2.775 -1.917 13.063 1.00 65.54 C ATOM 1025 O LYS A 68 -2.219 -2.085 14.150 1.00 31.35 O ATOM 1026 CB LYS A 68 -3.228 0.575 13.196 1.00 12.05 C ATOM 1027 CG LYS A 68 -2.790 0.755 14.642 1.00 52.04 C ATOM 1028 CD LYS A 68 -2.227 2.149 14.875 1.00 44.20 C ATOM 1029 CE LYS A 68 -3.313 3.212 14.813 1.00 30.01 C ATOM 1030 NZ LYS A 68 -2.748 4.586 14.746 1.00 4.54 N ATOM 0 H LYS A 68 -5.030 -0.647 14.555 1.00 53.23 H new ATOM 0 HA LYS A 68 -4.083 -0.789 11.805 1.00 4.14 H new ATOM 0 HB2 LYS A 68 -2.372 0.762 12.547 1.00 12.05 H new ATOM 0 HB3 LYS A 68 -3.977 1.332 12.962 1.00 12.05 H new ATOM 0 HG2 LYS A 68 -3.638 0.587 15.306 1.00 52.04 H new ATOM 0 HG3 LYS A 68 -2.036 0.009 14.892 1.00 52.04 H new ATOM 0 HD2 LYS A 68 -1.737 2.186 15.848 1.00 44.20 H new ATOM 0 HD3 LYS A 68 -1.465 2.363 14.126 1.00 44.20 H new ATOM 0 HE2 LYS A 68 -3.942 3.036 13.940 1.00 30.01 H new ATOM 0 HE3 LYS A 68 -3.954 3.126 15.691 1.00 30.01 H new ATOM 0 HZ1 LYS A 68 -3.507 5.281 14.893 1.00 4.54 H new ATOM 0 HZ2 LYS A 68 -2.026 4.701 15.486 1.00 4.54 H new ATOM 0 HZ3 LYS A 68 -2.315 4.738 13.813 1.00 4.54 H new ATOM 1044 N VAL A 69 -2.547 -2.689 12.013 1.00 34.32 N ATOM 1045 CA VAL A 69 -1.641 -3.826 12.077 1.00 42.24 C ATOM 1046 C VAL A 69 -0.205 -3.396 11.804 1.00 52.00 C ATOM 1047 O VAL A 69 0.725 -4.190 11.925 1.00 23.31 O ATOM 1048 CB VAL A 69 -2.059 -4.940 11.091 1.00 54.32 C ATOM 1049 CG1 VAL A 69 -3.384 -5.551 11.516 1.00 35.12 C ATOM 1050 CG2 VAL A 69 -2.148 -4.405 9.666 1.00 55.42 C ATOM 0 H VAL A 69 -2.980 -2.548 11.100 1.00 34.32 H new ATOM 0 HA VAL A 69 -1.699 -4.228 13.088 1.00 42.24 H new ATOM 0 HB VAL A 69 -1.294 -5.716 11.111 1.00 54.32 H new ATOM 0 HG11 VAL A 69 -3.666 -6.334 10.812 1.00 35.12 H new ATOM 0 HG12 VAL A 69 -3.284 -5.978 12.514 1.00 35.12 H new ATOM 0 HG13 VAL A 69 -4.154 -4.779 11.527 1.00 35.12 H new ATOM 0 HG21 VAL A 69 -2.444 -5.210 8.993 1.00 55.42 H new ATOM 0 HG22 VAL A 69 -2.888 -3.606 9.623 1.00 55.42 H new ATOM 0 HG23 VAL A 69 -1.176 -4.017 9.362 1.00 55.42 H new ATOM 1060 N ALA A 70 -0.035 -2.131 11.438 1.00 32.24 N ATOM 1061 CA ALA A 70 1.292 -1.566 11.260 1.00 42.42 C ATOM 1062 C ALA A 70 1.974 -1.418 12.611 1.00 53.33 C ATOM 1063 O ALA A 70 1.577 -0.591 13.432 1.00 74.42 O ATOM 1064 CB ALA A 70 1.210 -0.217 10.559 1.00 44.31 C ATOM 0 H ALA A 70 -0.800 -1.480 11.260 1.00 32.24 H new ATOM 0 HA ALA A 70 1.879 -2.240 10.636 1.00 42.42 H new ATOM 0 HB1 ALA A 70 2.213 0.190 10.435 1.00 44.31 H new ATOM 0 HB2 ALA A 70 0.746 -0.343 9.581 1.00 44.31 H new ATOM 0 HB3 ALA A 70 0.612 0.469 11.159 1.00 44.31 H new ATOM 1070 N VAL A 71 2.993 -2.231 12.840 1.00 65.21 N ATOM 1071 CA VAL A 71 3.685 -2.245 14.118 1.00 41.15 C ATOM 1072 C VAL A 71 5.100 -1.687 13.951 1.00 14.20 C ATOM 1073 O VAL A 71 5.881 -1.617 14.902 1.00 61.32 O ATOM 1074 CB VAL A 71 3.710 -3.680 14.711 1.00 12.32 C ATOM 1075 CG1 VAL A 71 4.545 -4.623 13.858 1.00 12.11 C ATOM 1076 CG2 VAL A 71 4.198 -3.682 16.154 1.00 1.00 C ATOM 0 H VAL A 71 3.360 -2.892 12.155 1.00 65.21 H new ATOM 0 HA VAL A 71 3.147 -1.608 14.820 1.00 41.15 H new ATOM 0 HB VAL A 71 2.683 -4.045 14.705 1.00 12.32 H new ATOM 0 HG11 VAL A 71 4.540 -5.618 14.304 1.00 12.11 H new ATOM 0 HG12 VAL A 71 4.125 -4.673 12.853 1.00 12.11 H new ATOM 0 HG13 VAL A 71 5.570 -4.255 13.805 1.00 12.11 H new ATOM 0 HG21 VAL A 71 4.202 -4.703 16.535 1.00 1.00 H new ATOM 0 HG22 VAL A 71 5.208 -3.275 16.197 1.00 1.00 H new ATOM 0 HG23 VAL A 71 3.534 -3.070 16.764 1.00 1.00 H new ATOM 1086 N LEU A 72 5.413 -1.295 12.713 1.00 13.30 N ATOM 1087 CA LEU A 72 6.688 -0.662 12.363 1.00 11.32 C ATOM 1088 C LEU A 72 7.835 -1.669 12.374 1.00 3.43 C ATOM 1089 O LEU A 72 8.966 -1.337 12.029 1.00 44.51 O ATOM 1090 CB LEU A 72 7.016 0.539 13.271 1.00 25.43 C ATOM 1091 CG LEU A 72 6.247 1.837 12.971 1.00 54.42 C ATOM 1092 CD1 LEU A 72 6.382 2.214 11.502 1.00 2.23 C ATOM 1093 CD2 LEU A 72 4.781 1.714 13.367 1.00 23.02 C ATOM 0 H LEU A 72 4.783 -1.409 11.919 1.00 13.30 H new ATOM 0 HA LEU A 72 6.573 -0.283 11.348 1.00 11.32 H new ATOM 0 HB2 LEU A 72 6.819 0.253 14.304 1.00 25.43 H new ATOM 0 HB3 LEU A 72 8.083 0.746 13.196 1.00 25.43 H new ATOM 0 HG LEU A 72 6.687 2.634 13.571 1.00 54.42 H new ATOM 0 HD11 LEU A 72 5.831 3.135 11.311 1.00 2.23 H new ATOM 0 HD12 LEU A 72 7.434 2.364 11.260 1.00 2.23 H new ATOM 0 HD13 LEU A 72 5.978 1.414 10.882 1.00 2.23 H new ATOM 0 HD21 LEU A 72 4.264 2.647 13.143 1.00 23.02 H new ATOM 0 HD22 LEU A 72 4.320 0.900 12.807 1.00 23.02 H new ATOM 0 HD23 LEU A 72 4.709 1.507 14.435 1.00 23.02 H new ATOM 1105 N SER A 73 7.538 -2.898 12.772 1.00 75.51 N ATOM 1106 CA SER A 73 8.490 -3.991 12.648 1.00 23.35 C ATOM 1107 C SER A 73 8.366 -4.587 11.255 1.00 52.21 C ATOM 1108 O SER A 73 9.259 -5.272 10.762 1.00 52.22 O ATOM 1109 CB SER A 73 8.217 -5.059 13.707 1.00 71.43 C ATOM 1110 OG SER A 73 8.151 -4.484 14.999 1.00 11.32 O ATOM 0 H SER A 73 6.643 -3.163 13.184 1.00 75.51 H new ATOM 0 HA SER A 73 9.502 -3.616 12.801 1.00 23.35 H new ATOM 0 HB2 SER A 73 7.280 -5.568 13.483 1.00 71.43 H new ATOM 0 HB3 SER A 73 9.004 -5.813 13.680 1.00 71.43 H new ATOM 0 HG SER A 73 7.974 -5.185 15.660 1.00 11.32 H new ATOM 1116 N ASP A 74 7.236 -4.280 10.629 1.00 23.14 N ATOM 1117 CA ASP A 74 6.922 -4.716 9.275 1.00 25.44 C ATOM 1118 C ASP A 74 7.686 -3.890 8.247 1.00 54.34 C ATOM 1119 O ASP A 74 7.644 -4.174 7.049 1.00 11.33 O ATOM 1120 CB ASP A 74 5.414 -4.584 9.038 1.00 64.53 C ATOM 1121 CG ASP A 74 4.880 -3.234 9.482 1.00 45.15 C ATOM 1122 OD1 ASP A 74 4.667 -3.051 10.708 1.00 3.32 O ATOM 1123 OD2 ASP A 74 4.689 -2.350 8.627 1.00 21.33 O ATOM 0 H ASP A 74 6.502 -3.713 11.054 1.00 23.14 H new ATOM 0 HA ASP A 74 7.222 -5.758 9.162 1.00 25.44 H new ATOM 0 HB2 ASP A 74 5.201 -4.727 7.979 1.00 64.53 H new ATOM 0 HB3 ASP A 74 4.892 -5.375 9.578 1.00 64.53 H new ATOM 1128 N ASP A 75 8.419 -2.896 8.737 1.00 62.23 N ATOM 1129 CA ASP A 75 9.186 -1.989 7.884 1.00 43.15 C ATOM 1130 C ASP A 75 10.230 -2.747 7.071 1.00 34.32 C ATOM 1131 O ASP A 75 10.633 -2.308 5.993 1.00 23.11 O ATOM 1132 CB ASP A 75 9.889 -0.930 8.740 1.00 21.45 C ATOM 1133 CG ASP A 75 11.134 -1.468 9.433 1.00 63.15 C ATOM 1134 OD1 ASP A 75 11.031 -2.472 10.171 1.00 51.54 O ATOM 1135 OD2 ASP A 75 12.226 -0.898 9.234 1.00 63.10 O ATOM 0 H ASP A 75 8.500 -2.695 9.734 1.00 62.23 H new ATOM 0 HA ASP A 75 8.488 -1.509 7.198 1.00 43.15 H new ATOM 0 HB2 ASP A 75 10.165 -0.084 8.110 1.00 21.45 H new ATOM 0 HB3 ASP A 75 9.193 -0.555 9.491 1.00 21.45 H new ATOM 1140 N SER A 76 10.654 -3.888 7.597 1.00 2.53 N ATOM 1141 CA SER A 76 11.725 -4.664 7.000 1.00 63.41 C ATOM 1142 C SER A 76 11.319 -6.127 6.833 1.00 45.24 C ATOM 1143 O SER A 76 12.169 -7.015 6.738 1.00 44.25 O ATOM 1144 CB SER A 76 12.965 -4.545 7.886 1.00 21.34 C ATOM 1145 OG SER A 76 12.603 -4.560 9.263 1.00 74.23 O ATOM 0 H SER A 76 10.265 -4.298 8.446 1.00 2.53 H new ATOM 0 HA SER A 76 11.942 -4.275 6.005 1.00 63.41 H new ATOM 0 HB2 SER A 76 13.649 -5.367 7.676 1.00 21.34 H new ATOM 0 HB3 SER A 76 13.496 -3.622 7.655 1.00 21.34 H new ATOM 0 HG SER A 76 12.176 -3.710 9.498 1.00 74.23 H new ATOM 1151 N ARG A 77 10.016 -6.376 6.788 1.00 0.03 N ATOM 1152 CA ARG A 77 9.509 -7.736 6.663 1.00 3.34 C ATOM 1153 C ARG A 77 8.620 -7.857 5.436 1.00 35.12 C ATOM 1154 O ARG A 77 7.797 -6.980 5.179 1.00 31.22 O ATOM 1155 CB ARG A 77 8.710 -8.135 7.906 1.00 74.32 C ATOM 1156 CG ARG A 77 9.435 -7.873 9.218 1.00 72.20 C ATOM 1157 CD ARG A 77 10.698 -8.706 9.352 1.00 10.43 C ATOM 1158 NE ARG A 77 10.404 -10.131 9.494 1.00 74.23 N ATOM 1159 CZ ARG A 77 10.533 -10.807 10.635 1.00 1.33 C ATOM 1160 NH1 ARG A 77 10.963 -10.191 11.731 1.00 63.12 N ATOM 1161 NH2 ARG A 77 10.230 -12.100 10.675 1.00 30.54 N ATOM 0 H ARG A 77 9.294 -5.657 6.836 1.00 0.03 H new ATOM 0 HA ARG A 77 10.364 -8.404 6.561 1.00 3.34 H new ATOM 0 HB2 ARG A 77 7.766 -7.590 7.909 1.00 74.32 H new ATOM 0 HB3 ARG A 77 8.465 -9.195 7.843 1.00 74.32 H new ATOM 0 HG2 ARG A 77 9.691 -6.815 9.285 1.00 72.20 H new ATOM 0 HG3 ARG A 77 8.767 -8.093 10.051 1.00 72.20 H new ATOM 0 HD2 ARG A 77 11.328 -8.552 8.476 1.00 10.43 H new ATOM 0 HD3 ARG A 77 11.266 -8.365 10.218 1.00 10.43 H new ATOM 0 HE ARG A 77 10.081 -10.638 8.670 1.00 74.23 H new ATOM 0 HH11 ARG A 77 11.195 -9.198 11.700 1.00 63.12 H new ATOM 0 HH12 ARG A 77 11.061 -10.711 12.603 1.00 63.12 H new ATOM 0 HH21 ARG A 77 9.900 -12.573 9.834 1.00 30.54 H new ATOM 0 HH22 ARG A 77 10.328 -12.620 11.547 1.00 30.54 H new ATOM 1175 N PRO A 78 8.782 -8.933 4.654 1.00 24.40 N ATOM 1176 CA PRO A 78 7.911 -9.209 3.514 1.00 13.43 C ATOM 1177 C PRO A 78 6.455 -9.360 3.949 1.00 10.53 C ATOM 1178 O PRO A 78 6.115 -10.270 4.710 1.00 11.24 O ATOM 1179 CB PRO A 78 8.451 -10.525 2.938 1.00 2.34 C ATOM 1180 CG PRO A 78 9.309 -11.109 4.010 1.00 40.13 C ATOM 1181 CD PRO A 78 9.833 -9.951 4.809 1.00 62.44 C ATOM 0 HA PRO A 78 7.917 -8.398 2.785 1.00 13.43 H new ATOM 0 HB2 PRO A 78 7.637 -11.201 2.675 1.00 2.34 H new ATOM 0 HB3 PRO A 78 9.025 -10.349 2.029 1.00 2.34 H new ATOM 0 HG2 PRO A 78 8.735 -11.788 4.640 1.00 40.13 H new ATOM 0 HG3 PRO A 78 10.127 -11.687 3.581 1.00 40.13 H new ATOM 0 HD2 PRO A 78 9.983 -10.219 5.855 1.00 62.44 H new ATOM 0 HD3 PRO A 78 10.792 -9.600 4.429 1.00 62.44 H new ATOM 1189 N LEU A 79 5.606 -8.459 3.468 1.00 32.41 N ATOM 1190 CA LEU A 79 4.198 -8.420 3.862 1.00 34.44 C ATOM 1191 C LEU A 79 3.511 -9.761 3.621 1.00 72.02 C ATOM 1192 O LEU A 79 2.735 -10.231 4.454 1.00 1.40 O ATOM 1193 CB LEU A 79 3.464 -7.321 3.092 1.00 72.31 C ATOM 1194 CG LEU A 79 3.993 -5.902 3.317 1.00 34.40 C ATOM 1195 CD1 LEU A 79 3.235 -4.910 2.448 1.00 21.12 C ATOM 1196 CD2 LEU A 79 3.883 -5.516 4.789 1.00 21.10 C ATOM 0 H LEU A 79 5.870 -7.737 2.797 1.00 32.41 H new ATOM 0 HA LEU A 79 4.161 -8.205 4.930 1.00 34.44 H new ATOM 0 HB2 LEU A 79 3.519 -7.547 2.027 1.00 72.31 H new ATOM 0 HB3 LEU A 79 2.410 -7.347 3.370 1.00 72.31 H new ATOM 0 HG LEU A 79 5.045 -5.877 3.034 1.00 34.40 H new ATOM 0 HD11 LEU A 79 3.623 -3.906 2.619 1.00 21.12 H new ATOM 0 HD12 LEU A 79 3.363 -5.174 1.398 1.00 21.12 H new ATOM 0 HD13 LEU A 79 2.176 -4.938 2.703 1.00 21.12 H new ATOM 0 HD21 LEU A 79 4.264 -4.504 4.929 1.00 21.10 H new ATOM 0 HD22 LEU A 79 2.839 -5.557 5.099 1.00 21.10 H new ATOM 0 HD23 LEU A 79 4.468 -6.211 5.392 1.00 21.10 H new ATOM 1208 N GLY A 80 3.836 -10.390 2.497 1.00 14.23 N ATOM 1209 CA GLY A 80 3.185 -11.631 2.119 1.00 73.31 C ATOM 1210 C GLY A 80 3.719 -12.833 2.879 1.00 53.12 C ATOM 1211 O GLY A 80 3.286 -13.962 2.655 1.00 3.14 O ATOM 0 H GLY A 80 4.542 -10.061 1.838 1.00 14.23 H new ATOM 0 HA2 GLY A 80 2.113 -11.542 2.296 1.00 73.31 H new ATOM 0 HA3 GLY A 80 3.319 -11.795 1.050 1.00 73.31 H new ATOM 1215 N PHE A 81 4.671 -12.593 3.768 1.00 52.02 N ATOM 1216 CA PHE A 81 5.258 -13.655 4.570 1.00 54.13 C ATOM 1217 C PHE A 81 4.790 -13.528 6.015 1.00 52.14 C ATOM 1218 O PHE A 81 4.900 -14.470 6.808 1.00 72.22 O ATOM 1219 CB PHE A 81 6.788 -13.579 4.492 1.00 35.15 C ATOM 1220 CG PHE A 81 7.506 -14.727 5.147 1.00 31.13 C ATOM 1221 CD1 PHE A 81 7.597 -15.954 4.513 1.00 51.20 C ATOM 1222 CD2 PHE A 81 8.100 -14.571 6.389 1.00 1.53 C ATOM 1223 CE1 PHE A 81 8.265 -17.006 5.109 1.00 43.35 C ATOM 1224 CE2 PHE A 81 8.768 -15.621 6.989 1.00 31.15 C ATOM 1225 CZ PHE A 81 8.852 -16.840 6.348 1.00 52.22 C ATOM 0 H PHE A 81 5.055 -11.666 3.953 1.00 52.02 H new ATOM 0 HA PHE A 81 4.937 -14.622 4.183 1.00 54.13 H new ATOM 0 HB2 PHE A 81 7.083 -13.533 3.444 1.00 35.15 H new ATOM 0 HB3 PHE A 81 7.117 -12.649 4.957 1.00 35.15 H new ATOM 0 HD1 PHE A 81 7.141 -16.090 3.543 1.00 51.20 H new ATOM 0 HD2 PHE A 81 8.040 -13.618 6.894 1.00 1.53 H new ATOM 0 HE1 PHE A 81 8.328 -17.959 4.605 1.00 43.35 H new ATOM 0 HE2 PHE A 81 9.224 -15.488 7.959 1.00 31.15 H new ATOM 0 HZ PHE A 81 9.375 -17.662 6.814 1.00 52.22 H new ATOM 1235 N PHE A 82 4.243 -12.367 6.346 1.00 70.13 N ATOM 1236 CA PHE A 82 3.847 -12.078 7.713 1.00 61.30 C ATOM 1237 C PHE A 82 2.384 -12.443 7.949 1.00 51.54 C ATOM 1238 O PHE A 82 2.064 -13.209 8.860 1.00 52.23 O ATOM 1239 CB PHE A 82 4.084 -10.598 8.030 1.00 54.44 C ATOM 1240 CG PHE A 82 4.178 -10.304 9.500 1.00 30.15 C ATOM 1241 CD1 PHE A 82 5.406 -10.354 10.143 1.00 24.22 C ATOM 1242 CD2 PHE A 82 3.052 -9.980 10.237 1.00 72.35 C ATOM 1243 CE1 PHE A 82 5.505 -10.088 11.495 1.00 44.33 C ATOM 1244 CE2 PHE A 82 3.147 -9.712 11.590 1.00 22.24 C ATOM 1245 CZ PHE A 82 4.373 -9.766 12.220 1.00 73.43 C ATOM 0 H PHE A 82 4.064 -11.611 5.685 1.00 70.13 H new ATOM 0 HA PHE A 82 4.458 -12.686 8.380 1.00 61.30 H new ATOM 0 HB2 PHE A 82 5.004 -10.274 7.544 1.00 54.44 H new ATOM 0 HB3 PHE A 82 3.273 -10.009 7.602 1.00 54.44 H new ATOM 0 HD1 PHE A 82 6.294 -10.603 9.581 1.00 24.22 H new ATOM 0 HD2 PHE A 82 2.089 -9.936 9.750 1.00 72.35 H new ATOM 0 HE1 PHE A 82 6.466 -10.132 11.985 1.00 44.33 H new ATOM 0 HE2 PHE A 82 2.261 -9.460 12.154 1.00 22.24 H new ATOM 0 HZ PHE A 82 4.448 -9.557 13.277 1.00 73.43 H new ATOM 1255 N SER A 83 1.494 -11.902 7.127 1.00 5.41 N ATOM 1256 CA SER A 83 0.066 -12.142 7.293 1.00 3.42 C ATOM 1257 C SER A 83 -0.612 -12.430 5.953 1.00 71.43 C ATOM 1258 O SER A 83 -0.411 -11.707 4.977 1.00 51.33 O ATOM 1259 CB SER A 83 -0.591 -10.941 7.975 1.00 60.42 C ATOM 1260 OG SER A 83 0.012 -10.682 9.232 1.00 22.12 O ATOM 0 H SER A 83 1.734 -11.297 6.342 1.00 5.41 H new ATOM 0 HA SER A 83 -0.058 -13.023 7.923 1.00 3.42 H new ATOM 0 HB2 SER A 83 -0.503 -10.062 7.337 1.00 60.42 H new ATOM 0 HB3 SER A 83 -1.656 -11.132 8.110 1.00 60.42 H new ATOM 0 HG SER A 83 -0.422 -9.909 9.650 1.00 22.12 H new ATOM 1266 N PRO A 84 -1.419 -13.505 5.894 1.00 10.24 N ATOM 1267 CA PRO A 84 -2.147 -13.894 4.688 1.00 3.53 C ATOM 1268 C PRO A 84 -3.426 -13.078 4.492 1.00 2.41 C ATOM 1269 O PRO A 84 -4.472 -13.389 5.063 1.00 35.45 O ATOM 1270 CB PRO A 84 -2.491 -15.377 4.924 1.00 4.01 C ATOM 1271 CG PRO A 84 -1.904 -15.736 6.256 1.00 20.40 C ATOM 1272 CD PRO A 84 -1.676 -14.443 6.988 1.00 24.22 C ATOM 0 HA PRO A 84 -1.554 -13.722 3.790 1.00 3.53 H new ATOM 0 HB2 PRO A 84 -3.570 -15.532 4.920 1.00 4.01 H new ATOM 0 HB3 PRO A 84 -2.076 -16.003 4.134 1.00 4.01 H new ATOM 0 HG2 PRO A 84 -2.579 -16.384 6.815 1.00 20.40 H new ATOM 0 HG3 PRO A 84 -0.968 -16.282 6.133 1.00 20.40 H new ATOM 0 HD2 PRO A 84 -2.545 -14.151 7.578 1.00 24.22 H new ATOM 0 HD3 PRO A 84 -0.832 -14.508 7.675 1.00 24.22 H new ATOM 1280 N PHE A 85 -3.323 -12.019 3.704 1.00 32.25 N ATOM 1281 CA PHE A 85 -4.468 -11.177 3.382 1.00 20.41 C ATOM 1282 C PHE A 85 -4.443 -10.813 1.906 1.00 2.31 C ATOM 1283 O PHE A 85 -3.386 -10.499 1.358 1.00 64.10 O ATOM 1284 CB PHE A 85 -4.477 -9.897 4.230 1.00 2.44 C ATOM 1285 CG PHE A 85 -4.904 -10.098 5.661 1.00 33.45 C ATOM 1286 CD1 PHE A 85 -3.977 -10.421 6.640 1.00 54.32 C ATOM 1287 CD2 PHE A 85 -6.235 -9.954 6.026 1.00 41.40 C ATOM 1288 CE1 PHE A 85 -4.369 -10.597 7.954 1.00 3.41 C ATOM 1289 CE2 PHE A 85 -6.630 -10.129 7.340 1.00 74.02 C ATOM 1290 CZ PHE A 85 -5.696 -10.452 8.305 1.00 51.22 C ATOM 0 H PHE A 85 -2.449 -11.719 3.271 1.00 32.25 H new ATOM 0 HA PHE A 85 -5.374 -11.740 3.607 1.00 20.41 H new ATOM 0 HB2 PHE A 85 -3.477 -9.463 4.220 1.00 2.44 H new ATOM 0 HB3 PHE A 85 -5.144 -9.172 3.764 1.00 2.44 H new ATOM 0 HD1 PHE A 85 -2.937 -10.536 6.373 1.00 54.32 H new ATOM 0 HD2 PHE A 85 -6.970 -9.703 5.276 1.00 41.40 H new ATOM 0 HE1 PHE A 85 -3.636 -10.848 8.707 1.00 3.41 H new ATOM 0 HE2 PHE A 85 -7.669 -10.013 7.611 1.00 74.02 H new ATOM 0 HZ PHE A 85 -6.003 -10.591 9.331 1.00 51.22 H new ATOM 1300 N ASP A 86 -5.605 -10.867 1.269 1.00 54.51 N ATOM 1301 CA ASP A 86 -5.727 -10.507 -0.141 1.00 24.04 C ATOM 1302 C ASP A 86 -5.369 -9.041 -0.360 1.00 22.32 C ATOM 1303 O ASP A 86 -4.718 -8.684 -1.346 1.00 70.10 O ATOM 1304 CB ASP A 86 -7.151 -10.773 -0.634 1.00 1.32 C ATOM 1305 CG ASP A 86 -7.396 -10.236 -2.030 1.00 24.42 C ATOM 1306 OD1 ASP A 86 -6.969 -10.883 -3.008 1.00 61.03 O ATOM 1307 OD2 ASP A 86 -8.022 -9.165 -2.160 1.00 13.03 O ATOM 0 H ASP A 86 -6.480 -11.157 1.706 1.00 54.51 H new ATOM 0 HA ASP A 86 -5.030 -11.123 -0.710 1.00 24.04 H new ATOM 0 HB2 ASP A 86 -7.340 -11.846 -0.624 1.00 1.32 H new ATOM 0 HB3 ASP A 86 -7.861 -10.317 0.056 1.00 1.32 H new ATOM 1312 N GLY A 87 -5.796 -8.199 0.569 1.00 51.14 N ATOM 1313 CA GLY A 87 -5.507 -6.788 0.475 1.00 34.25 C ATOM 1314 C GLY A 87 -5.695 -6.082 1.797 1.00 33.43 C ATOM 1315 O GLY A 87 -6.729 -6.229 2.446 1.00 54.30 O ATOM 0 H GLY A 87 -6.339 -8.471 1.388 1.00 51.14 H new ATOM 0 HA2 GLY A 87 -4.481 -6.650 0.133 1.00 34.25 H new ATOM 0 HA3 GLY A 87 -6.156 -6.334 -0.274 1.00 34.25 H new ATOM 1319 N PHE A 88 -4.690 -5.321 2.199 1.00 24.24 N ATOM 1320 CA PHE A 88 -4.739 -4.580 3.451 1.00 71.01 C ATOM 1321 C PHE A 88 -5.386 -3.215 3.242 1.00 25.42 C ATOM 1322 O PHE A 88 -5.472 -2.723 2.112 1.00 31.32 O ATOM 1323 CB PHE A 88 -3.334 -4.405 4.027 1.00 52.50 C ATOM 1324 CG PHE A 88 -2.657 -5.692 4.406 1.00 43.01 C ATOM 1325 CD1 PHE A 88 -1.886 -6.385 3.486 1.00 21.22 C ATOM 1326 CD2 PHE A 88 -2.783 -6.203 5.688 1.00 4.02 C ATOM 1327 CE1 PHE A 88 -1.258 -7.565 3.836 1.00 64.11 C ATOM 1328 CE2 PHE A 88 -2.157 -7.381 6.042 1.00 42.11 C ATOM 1329 CZ PHE A 88 -1.393 -8.063 5.116 1.00 42.54 C ATOM 0 H PHE A 88 -3.825 -5.199 1.673 1.00 24.24 H new ATOM 0 HA PHE A 88 -5.341 -5.150 4.158 1.00 71.01 H new ATOM 0 HB2 PHE A 88 -2.716 -3.885 3.295 1.00 52.50 H new ATOM 0 HB3 PHE A 88 -3.392 -3.765 4.908 1.00 52.50 H new ATOM 0 HD1 PHE A 88 -1.775 -5.998 2.484 1.00 21.22 H new ATOM 0 HD2 PHE A 88 -3.377 -5.674 6.418 1.00 4.02 H new ATOM 0 HE1 PHE A 88 -0.662 -8.097 3.109 1.00 64.11 H new ATOM 0 HE2 PHE A 88 -2.265 -7.770 7.044 1.00 42.11 H new ATOM 0 HZ PHE A 88 -0.902 -8.984 5.393 1.00 42.54 H new ATOM 1339 N ARG A 89 -5.831 -2.607 4.334 1.00 55.24 N ATOM 1340 CA ARG A 89 -6.490 -1.310 4.283 1.00 52.24 C ATOM 1341 C ARG A 89 -5.491 -0.185 4.525 1.00 14.12 C ATOM 1342 O ARG A 89 -5.096 0.075 5.660 1.00 21.20 O ATOM 1343 CB ARG A 89 -7.611 -1.249 5.324 1.00 11.35 C ATOM 1344 CG ARG A 89 -8.833 -2.069 4.949 1.00 74.02 C ATOM 1345 CD ARG A 89 -9.741 -1.309 3.994 1.00 4.42 C ATOM 1346 NE ARG A 89 -10.803 -2.152 3.438 1.00 13.11 N ATOM 1347 CZ ARG A 89 -11.896 -2.533 4.102 1.00 11.23 C ATOM 1348 NH1 ARG A 89 -12.067 -2.215 5.381 1.00 41.21 N ATOM 1349 NH2 ARG A 89 -12.823 -3.239 3.472 1.00 44.12 N ATOM 0 H ARG A 89 -5.746 -2.996 5.273 1.00 55.24 H new ATOM 0 HA ARG A 89 -6.918 -1.182 3.289 1.00 52.24 H new ATOM 0 HB2 ARG A 89 -7.227 -1.602 6.281 1.00 11.35 H new ATOM 0 HB3 ARG A 89 -7.910 -0.210 5.464 1.00 11.35 H new ATOM 0 HG2 ARG A 89 -8.517 -3.004 4.486 1.00 74.02 H new ATOM 0 HG3 ARG A 89 -9.388 -2.331 5.850 1.00 74.02 H new ATOM 0 HD2 ARG A 89 -10.189 -0.465 4.518 1.00 4.42 H new ATOM 0 HD3 ARG A 89 -9.144 -0.898 3.180 1.00 4.42 H new ATOM 0 HE ARG A 89 -10.699 -2.470 2.475 1.00 13.11 H new ATOM 0 HH11 ARG A 89 -11.356 -1.671 5.871 1.00 41.21 H new ATOM 0 HH12 ARG A 89 -12.909 -2.515 5.873 1.00 41.21 H new ATOM 0 HH21 ARG A 89 -12.697 -3.485 2.490 1.00 44.12 H new ATOM 0 HH22 ARG A 89 -13.663 -3.536 3.969 1.00 44.12 H new ATOM 1363 N LEU A 90 -5.076 0.473 3.454 1.00 65.23 N ATOM 1364 CA LEU A 90 -4.151 1.591 3.560 1.00 21.14 C ATOM 1365 C LEU A 90 -4.909 2.909 3.546 1.00 52.05 C ATOM 1366 O LEU A 90 -5.273 3.416 2.484 1.00 70.41 O ATOM 1367 CB LEU A 90 -3.140 1.568 2.407 1.00 70.21 C ATOM 1368 CG LEU A 90 -2.050 0.501 2.506 1.00 31.14 C ATOM 1369 CD1 LEU A 90 -1.247 0.443 1.216 1.00 10.52 C ATOM 1370 CD2 LEU A 90 -1.132 0.792 3.684 1.00 63.24 C ATOM 0 H LEU A 90 -5.365 0.252 2.501 1.00 65.23 H new ATOM 0 HA LEU A 90 -3.613 1.497 4.504 1.00 21.14 H new ATOM 0 HB2 LEU A 90 -3.684 1.421 1.474 1.00 70.21 H new ATOM 0 HB3 LEU A 90 -2.662 2.546 2.347 1.00 70.21 H new ATOM 0 HG LEU A 90 -2.526 -0.467 2.664 1.00 31.14 H new ATOM 0 HD11 LEU A 90 -0.475 -0.321 1.302 1.00 10.52 H new ATOM 0 HD12 LEU A 90 -1.909 0.198 0.386 1.00 10.52 H new ATOM 0 HD13 LEU A 90 -0.780 1.411 1.034 1.00 10.52 H new ATOM 0 HD21 LEU A 90 -0.361 0.024 3.742 1.00 63.24 H new ATOM 0 HD22 LEU A 90 -0.664 1.767 3.548 1.00 63.24 H new ATOM 0 HD23 LEU A 90 -1.713 0.794 4.606 1.00 63.24 H new ATOM 1382 N HIS A 91 -5.178 3.454 4.721 1.00 61.22 N ATOM 1383 CA HIS A 91 -5.818 4.753 4.803 1.00 55.34 C ATOM 1384 C HIS A 91 -4.756 5.813 5.041 1.00 24.24 C ATOM 1385 O HIS A 91 -4.251 5.969 6.154 1.00 34.00 O ATOM 1386 CB HIS A 91 -6.876 4.788 5.911 1.00 14.54 C ATOM 1387 CG HIS A 91 -7.821 5.947 5.793 1.00 42.33 C ATOM 1388 ND1 HIS A 91 -8.194 6.736 6.861 1.00 44.45 N ATOM 1389 CD2 HIS A 91 -8.486 6.438 4.719 1.00 43.01 C ATOM 1390 CE1 HIS A 91 -9.042 7.660 6.447 1.00 40.02 C ATOM 1391 NE2 HIS A 91 -9.231 7.502 5.153 1.00 2.24 N ATOM 0 H HIS A 91 -4.966 3.022 5.620 1.00 61.22 H new ATOM 0 HA HIS A 91 -6.332 4.953 3.863 1.00 55.34 H new ATOM 0 HB2 HIS A 91 -7.446 3.859 5.889 1.00 14.54 H new ATOM 0 HB3 HIS A 91 -6.377 4.832 6.879 1.00 14.54 H new ATOM 0 HD2 HIS A 91 -8.437 6.060 3.708 1.00 43.01 H new ATOM 0 HE1 HIS A 91 -9.502 8.417 7.065 1.00 40.02 H new ATOM 0 HE2 HIS A 91 -9.835 8.079 4.568 1.00 2.24 H new ATOM 1400 N ILE A 92 -4.396 6.514 3.977 1.00 44.13 N ATOM 1401 CA ILE A 92 -3.326 7.495 4.031 1.00 12.20 C ATOM 1402 C ILE A 92 -3.767 8.745 4.776 1.00 21.34 C ATOM 1403 O ILE A 92 -4.631 9.488 4.302 1.00 50.41 O ATOM 1404 CB ILE A 92 -2.853 7.896 2.618 1.00 71.43 C ATOM 1405 CG1 ILE A 92 -2.380 6.664 1.839 1.00 34.33 C ATOM 1406 CG2 ILE A 92 -1.741 8.933 2.703 1.00 5.04 C ATOM 1407 CD1 ILE A 92 -1.903 6.978 0.439 1.00 41.31 C ATOM 0 H ILE A 92 -4.833 6.420 3.060 1.00 44.13 H new ATOM 0 HA ILE A 92 -2.498 7.027 4.563 1.00 12.20 H new ATOM 0 HB ILE A 92 -3.696 8.337 2.085 1.00 71.43 H new ATOM 0 HG12 ILE A 92 -1.571 6.185 2.390 1.00 34.33 H new ATOM 0 HG13 ILE A 92 -3.197 5.945 1.782 1.00 34.33 H new ATOM 0 HG21 ILE A 92 -1.419 9.205 1.698 1.00 5.04 H new ATOM 0 HG22 ILE A 92 -2.109 9.820 3.218 1.00 5.04 H new ATOM 0 HG23 ILE A 92 -0.897 8.518 3.254 1.00 5.04 H new ATOM 0 HD11 ILE A 92 -1.584 6.058 -0.051 1.00 41.31 H new ATOM 0 HD12 ILE A 92 -2.716 7.429 -0.130 1.00 41.31 H new ATOM 0 HD13 ILE A 92 -1.065 7.673 0.488 1.00 41.31 H new ATOM 1419 N ILE A 93 -3.188 8.964 5.948 1.00 13.10 N ATOM 1420 CA ILE A 93 -3.445 10.173 6.705 1.00 25.42 C ATOM 1421 C ILE A 93 -2.564 11.288 6.167 1.00 13.40 C ATOM 1422 O ILE A 93 -1.467 11.542 6.666 1.00 13.01 O ATOM 1423 CB ILE A 93 -3.194 9.981 8.218 1.00 10.41 C ATOM 1424 CG1 ILE A 93 -4.037 8.824 8.757 1.00 44.12 C ATOM 1425 CG2 ILE A 93 -3.501 11.259 8.990 1.00 44.32 C ATOM 1426 CD1 ILE A 93 -5.530 9.017 8.583 1.00 61.31 C ATOM 0 H ILE A 93 -2.537 8.317 6.393 1.00 13.10 H new ATOM 0 HA ILE A 93 -4.498 10.430 6.588 1.00 25.42 H new ATOM 0 HB ILE A 93 -2.139 9.743 8.356 1.00 10.41 H new ATOM 0 HG12 ILE A 93 -3.739 7.905 8.253 1.00 44.12 H new ATOM 0 HG13 ILE A 93 -3.819 8.692 9.817 1.00 44.12 H new ATOM 0 HG21 ILE A 93 -3.316 11.096 10.052 1.00 44.32 H new ATOM 0 HG22 ILE A 93 -2.861 12.064 8.630 1.00 44.32 H new ATOM 0 HG23 ILE A 93 -4.546 11.532 8.841 1.00 44.32 H new ATOM 0 HD11 ILE A 93 -6.058 8.155 8.990 1.00 61.31 H new ATOM 0 HD12 ILE A 93 -5.844 9.917 9.111 1.00 61.31 H new ATOM 0 HD13 ILE A 93 -5.763 9.118 7.523 1.00 61.31 H new ATOM 1438 N ASP A 94 -3.038 11.898 5.096 1.00 51.43 N ATOM 1439 CA ASP A 94 -2.311 12.954 4.417 1.00 31.50 C ATOM 1440 C ASP A 94 -2.668 14.299 5.025 1.00 42.23 C ATOM 1441 O ASP A 94 -3.677 14.908 4.670 1.00 12.51 O ATOM 1442 CB ASP A 94 -2.644 12.920 2.922 1.00 4.32 C ATOM 1443 CG ASP A 94 -1.811 13.878 2.091 1.00 70.14 C ATOM 1444 OD1 ASP A 94 -0.761 14.346 2.570 1.00 22.21 O ATOM 1445 OD2 ASP A 94 -2.199 14.134 0.930 1.00 44.54 O ATOM 0 H ASP A 94 -3.939 11.675 4.672 1.00 51.43 H new ATOM 0 HA ASP A 94 -1.239 12.801 4.538 1.00 31.50 H new ATOM 0 HB2 ASP A 94 -2.497 11.907 2.549 1.00 4.32 H new ATOM 0 HB3 ASP A 94 -3.699 13.159 2.788 1.00 4.32 H new ATOM 1450 N LEU A 95 -1.852 14.735 5.971 1.00 34.34 N ATOM 1451 CA LEU A 95 -2.114 15.970 6.693 1.00 65.32 C ATOM 1452 C LEU A 95 -1.319 17.123 6.101 1.00 62.25 C ATOM 1453 O LEU A 95 -1.166 18.172 6.729 1.00 33.51 O ATOM 1454 CB LEU A 95 -1.787 15.804 8.180 1.00 34.20 C ATOM 1455 CG LEU A 95 -2.692 14.828 8.935 1.00 74.43 C ATOM 1456 CD1 LEU A 95 -2.286 14.748 10.396 1.00 34.50 C ATOM 1457 CD2 LEU A 95 -4.151 15.247 8.810 1.00 51.25 C ATOM 0 H LEU A 95 -1.001 14.251 6.257 1.00 34.34 H new ATOM 0 HA LEU A 95 -3.175 16.201 6.594 1.00 65.32 H new ATOM 0 HB2 LEU A 95 -0.755 15.466 8.274 1.00 34.20 H new ATOM 0 HB3 LEU A 95 -1.848 16.780 8.661 1.00 34.20 H new ATOM 0 HG LEU A 95 -2.578 13.839 8.491 1.00 74.43 H new ATOM 0 HD11 LEU A 95 -2.940 14.049 10.918 1.00 34.50 H new ATOM 0 HD12 LEU A 95 -1.255 14.403 10.469 1.00 34.50 H new ATOM 0 HD13 LEU A 95 -2.371 15.734 10.852 1.00 34.50 H new ATOM 0 HD21 LEU A 95 -4.780 14.542 9.353 1.00 51.25 H new ATOM 0 HD22 LEU A 95 -4.280 16.245 9.229 1.00 51.25 H new ATOM 0 HD23 LEU A 95 -4.439 15.255 7.759 1.00 51.25 H new ATOM 1469 N ASP A 96 -0.820 16.925 4.888 1.00 71.14 N ATOM 1470 CA ASP A 96 -0.146 17.990 4.160 1.00 14.31 C ATOM 1471 C ASP A 96 -0.940 18.339 2.905 1.00 41.32 C ATOM 1472 O ASP A 96 -0.682 17.814 1.820 1.00 2.24 O ATOM 1473 CB ASP A 96 1.283 17.584 3.792 1.00 51.23 C ATOM 1474 CG ASP A 96 2.036 18.680 3.058 1.00 52.43 C ATOM 1475 OD1 ASP A 96 2.243 19.763 3.642 1.00 21.43 O ATOM 1476 OD2 ASP A 96 2.448 18.454 1.900 1.00 54.32 O ATOM 0 H ASP A 96 -0.870 16.037 4.388 1.00 71.14 H new ATOM 0 HA ASP A 96 -0.089 18.868 4.803 1.00 14.31 H new ATOM 0 HB2 ASP A 96 1.826 17.321 4.700 1.00 51.23 H new ATOM 0 HB3 ASP A 96 1.253 16.690 3.169 1.00 51.23 H new ATOM 1481 N PRO A 97 -1.960 19.192 3.048 1.00 51.01 N ATOM 1482 CA PRO A 97 -2.800 19.618 1.942 1.00 51.55 C ATOM 1483 C PRO A 97 -2.172 20.772 1.177 1.00 3.20 C ATOM 1484 O PRO A 97 -1.925 20.621 -0.035 1.00 36.45 O ATOM 1485 CB PRO A 97 -4.107 20.057 2.620 1.00 21.44 C ATOM 1486 CG PRO A 97 -3.880 19.923 4.097 1.00 32.44 C ATOM 1487 CD PRO A 97 -2.396 19.813 4.299 1.00 50.41 C ATOM 1488 OXT PRO A 97 -1.900 21.821 1.799 1.00 36.45 O ATOM 0 HA PRO A 97 -2.948 18.827 1.206 1.00 51.55 H new ATOM 0 HB2 PRO A 97 -4.356 21.085 2.356 1.00 21.44 H new ATOM 0 HB3 PRO A 97 -4.941 19.434 2.297 1.00 21.44 H new ATOM 0 HG2 PRO A 97 -4.280 20.786 4.630 1.00 32.44 H new ATOM 0 HG3 PRO A 97 -4.390 19.043 4.488 1.00 32.44 H new ATOM 0 HD2 PRO A 97 -1.933 20.787 4.453 1.00 50.41 H new ATOM 0 HD3 PRO A 97 -2.147 19.201 5.166 1.00 50.41 H new