USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 42 THR OG1 : rot 180:sc= -0.0419 USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 102:sc= 0.937 USER MOD Single : A 11 TYR OH : rot 33:sc= 0.0397 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 17 SER OG : rot -50:sc= 0.784 USER MOD Single : A 18 HIS : no HD1:sc=-0.000945 X(o=-0.00094,f=-0.02) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -53:sc= 0.791 USER MOD Single : A 33 ASN : amide:sc= 0.144 K(o=0.14,f=-0.78) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0.896 (180deg=0.881) USER MOD Single : A 37 CYS SG : rot 34:sc= 0.00429 USER MOD Single : A 40 LYS NZ :NH3+ 137:sc= 1 (180deg=0.0636) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= 0.0912 (180deg=-0.0972) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -177:sc= -3.57! USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= -0.0951 (180deg=-0.526) USER MOD Single : A 83 ASN : amide:sc= -0.819 K(o=-0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 1.993 -0.734 9.120 1.00 73.52 N ATOM 158 CA SER A 8 1.295 -1.486 8.077 1.00 14.33 C ATOM 159 C SER A 8 1.990 -2.827 7.741 1.00 62.10 C ATOM 160 O SER A 8 3.133 -2.852 7.288 1.00 42.03 O ATOM 161 CB SER A 8 1.139 -0.584 6.841 1.00 23.20 C ATOM 162 OG SER A 8 2.208 0.346 6.737 1.00 21.05 O ATOM 0 HA SER A 8 0.308 -1.766 8.445 1.00 14.33 H new ATOM 0 HB2 SER A 8 1.102 -1.200 5.942 1.00 23.20 H new ATOM 0 HB3 SER A 8 0.192 -0.047 6.898 1.00 23.20 H new ATOM 0 HG SER A 8 2.845 0.038 6.059 1.00 21.05 H new ATOM 168 N ARG A 9 1.249 -3.948 7.906 1.00 60.22 N ATOM 169 CA ARG A 9 1.814 -5.315 7.765 1.00 23.43 C ATOM 170 C ARG A 9 0.871 -6.227 6.960 1.00 31.22 C ATOM 171 O ARG A 9 -0.317 -5.959 6.872 1.00 60.13 O ATOM 172 CB ARG A 9 2.062 -5.968 9.146 1.00 42.54 C ATOM 173 CG ARG A 9 2.755 -5.071 10.171 1.00 61.41 C ATOM 174 CD ARG A 9 1.938 -4.966 11.460 1.00 42.23 C ATOM 175 NE ARG A 9 0.526 -4.645 11.188 1.00 63.41 N ATOM 176 CZ ARG A 9 -0.417 -4.460 12.127 1.00 10.03 C ATOM 177 NH1 ARG A 9 -0.120 -4.549 13.420 1.00 54.21 N ATOM 178 NH2 ARG A 9 -1.662 -4.165 11.755 1.00 61.35 N ATOM 0 H ARG A 9 0.256 -3.934 8.138 1.00 60.22 H new ATOM 0 HA ARG A 9 2.761 -5.208 7.237 1.00 23.43 H new ATOM 0 HB2 ARG A 9 1.105 -6.290 9.556 1.00 42.54 H new ATOM 0 HB3 ARG A 9 2.665 -6.865 9.004 1.00 42.54 H new ATOM 0 HG2 ARG A 9 3.744 -5.470 10.396 1.00 61.41 H new ATOM 0 HG3 ARG A 9 2.901 -4.077 9.748 1.00 61.41 H new ATOM 0 HD2 ARG A 9 1.998 -5.907 12.006 1.00 42.23 H new ATOM 0 HD3 ARG A 9 2.368 -4.197 12.102 1.00 42.23 H new ATOM 0 HE ARG A 9 0.243 -4.556 10.212 1.00 63.41 H new ATOM 0 HH11 ARG A 9 0.835 -4.760 13.711 1.00 54.21 H new ATOM 0 HH12 ARG A 9 -0.847 -4.406 14.121 1.00 54.21 H new ATOM 0 HH21 ARG A 9 -1.892 -4.081 10.765 1.00 61.35 H new ATOM 0 HH22 ARG A 9 -2.385 -4.023 12.460 1.00 61.35 H new ATOM 192 N ILE A 10 1.421 -7.315 6.411 1.00 71.22 N ATOM 193 CA ILE A 10 0.680 -8.292 5.586 1.00 12.11 C ATOM 194 C ILE A 10 0.710 -9.652 6.296 1.00 45.12 C ATOM 195 O ILE A 10 1.738 -10.000 6.905 1.00 31.24 O ATOM 196 CB ILE A 10 1.333 -8.467 4.176 1.00 64.15 C ATOM 197 CG1 ILE A 10 1.553 -7.112 3.491 1.00 52.14 C ATOM 198 CG2 ILE A 10 0.487 -9.386 3.286 1.00 52.11 C ATOM 199 CD1 ILE A 10 2.271 -7.193 2.158 1.00 40.23 C ATOM 0 H ILE A 10 2.407 -7.551 6.525 1.00 71.22 H new ATOM 0 HA ILE A 10 -0.339 -7.926 5.457 1.00 12.11 H new ATOM 0 HB ILE A 10 2.307 -8.934 4.323 1.00 64.15 H new ATOM 0 HG12 ILE A 10 0.585 -6.634 3.340 1.00 52.14 H new ATOM 0 HG13 ILE A 10 2.126 -6.469 4.160 1.00 52.14 H new ATOM 0 HG21 ILE A 10 0.965 -9.490 2.312 1.00 52.11 H new ATOM 0 HG22 ILE A 10 0.400 -10.367 3.754 1.00 52.11 H new ATOM 0 HG23 ILE A 10 -0.506 -8.956 3.159 1.00 52.11 H new ATOM 0 HD11 ILE A 10 2.384 -6.191 1.744 1.00 40.23 H new ATOM 0 HD12 ILE A 10 3.255 -7.640 2.301 1.00 40.23 H new ATOM 0 HD13 ILE A 10 1.691 -7.807 1.469 1.00 40.23 H new ATOM 211 N TYR A 11 -0.401 -10.414 6.220 1.00 65.23 N ATOM 212 CA TYR A 11 -0.490 -11.697 6.918 1.00 23.43 C ATOM 213 C TYR A 11 -0.530 -12.840 5.899 1.00 32.13 C ATOM 214 O TYR A 11 -1.523 -13.001 5.174 1.00 42.03 O ATOM 215 CB TYR A 11 -1.765 -11.704 7.771 1.00 44.14 C ATOM 216 CG TYR A 11 -1.814 -12.715 8.910 1.00 61.45 C ATOM 217 CD1 TYR A 11 -1.902 -14.085 8.679 1.00 24.33 C ATOM 218 CD2 TYR A 11 -1.805 -12.277 10.228 1.00 61.45 C ATOM 219 CE1 TYR A 11 -1.970 -14.982 9.725 1.00 74.24 C ATOM 220 CE2 TYR A 11 -1.871 -13.168 11.280 1.00 54.11 C ATOM 221 CZ TYR A 11 -1.951 -14.521 11.024 1.00 65.23 C ATOM 222 OH TYR A 11 -2.016 -15.409 12.074 1.00 51.51 O ATOM 0 H TYR A 11 -1.234 -10.161 5.688 1.00 65.23 H new ATOM 0 HA TYR A 11 0.381 -11.835 7.559 1.00 23.43 H new ATOM 0 HB2 TYR A 11 -1.899 -10.708 8.193 1.00 44.14 H new ATOM 0 HB3 TYR A 11 -2.615 -11.889 7.114 1.00 44.14 H new ATOM 0 HD1 TYR A 11 -1.917 -14.452 7.663 1.00 24.33 H new ATOM 0 HD2 TYR A 11 -1.745 -11.218 10.434 1.00 61.45 H new ATOM 0 HE1 TYR A 11 -2.038 -16.041 9.527 1.00 74.24 H new ATOM 0 HE2 TYR A 11 -1.860 -12.808 12.298 1.00 54.11 H new ATOM 0 HH TYR A 11 -1.557 -16.240 11.829 1.00 51.51 H new ATOM 232 N VAL A 12 0.539 -13.642 5.842 1.00 24.14 N ATOM 233 CA VAL A 12 0.539 -14.829 4.968 1.00 54.41 C ATOM 234 C VAL A 12 0.840 -16.117 5.770 1.00 22.44 C ATOM 235 O VAL A 12 1.956 -16.360 6.210 1.00 4.13 O ATOM 236 CB VAL A 12 1.499 -14.674 3.726 1.00 51.05 C ATOM 237 CG1 VAL A 12 1.008 -13.593 2.782 1.00 54.21 C ATOM 238 CG2 VAL A 12 2.929 -14.351 4.118 1.00 62.42 C ATOM 0 H VAL A 12 1.397 -13.500 6.375 1.00 24.14 H new ATOM 0 HA VAL A 12 -0.468 -14.918 4.562 1.00 54.41 H new ATOM 0 HB VAL A 12 1.487 -15.644 3.229 1.00 51.05 H new ATOM 0 HG11 VAL A 12 1.691 -13.511 1.936 1.00 54.21 H new ATOM 0 HG12 VAL A 12 0.012 -13.850 2.421 1.00 54.21 H new ATOM 0 HG13 VAL A 12 0.967 -12.640 3.310 1.00 54.21 H new ATOM 0 HG21 VAL A 12 3.540 -14.257 3.220 1.00 62.42 H new ATOM 0 HG22 VAL A 12 2.951 -13.413 4.672 1.00 62.42 H new ATOM 0 HG23 VAL A 12 3.324 -15.151 4.744 1.00 62.42 H new ATOM 248 N GLY A 13 -0.180 -16.947 5.956 1.00 64.10 N ATOM 249 CA GLY A 13 -0.039 -18.148 6.767 1.00 2.51 C ATOM 250 C GLY A 13 -0.617 -19.408 6.148 1.00 55.31 C ATOM 251 O GLY A 13 -1.305 -19.357 5.131 1.00 34.24 O ATOM 0 H GLY A 13 -1.109 -16.810 5.558 1.00 64.10 H new ATOM 0 HA2 GLY A 13 1.020 -18.312 6.967 1.00 2.51 H new ATOM 0 HA3 GLY A 13 -0.523 -17.978 7.729 1.00 2.51 H new ATOM 255 N ASN A 14 -0.292 -20.554 6.771 1.00 31.02 N ATOM 256 CA ASN A 14 -0.804 -21.897 6.398 1.00 42.33 C ATOM 257 C ASN A 14 -0.465 -22.262 4.935 1.00 43.20 C ATOM 258 O ASN A 14 -1.076 -23.153 4.380 1.00 5.11 O ATOM 259 CB ASN A 14 -2.352 -21.959 6.553 1.00 25.32 C ATOM 260 CG ASN A 14 -2.875 -21.606 7.936 1.00 53.42 C ATOM 261 OD1 ASN A 14 -3.074 -20.437 8.261 1.00 33.20 O ATOM 262 ND2 ASN A 14 -3.174 -22.615 8.732 1.00 11.21 N ATOM 0 H ASN A 14 0.347 -20.580 7.566 1.00 31.02 H new ATOM 0 HA ASN A 14 -0.319 -22.605 7.070 1.00 42.33 H new ATOM 0 HB2 ASN A 14 -2.802 -21.281 5.827 1.00 25.32 H new ATOM 0 HB3 ASN A 14 -2.687 -22.965 6.300 1.00 25.32 H new ATOM 0 HD21 ASN A 14 -3.584 -22.437 9.649 1.00 11.21 H new ATOM 0 HD22 ASN A 14 -2.995 -23.573 8.430 1.00 11.21 H new ATOM 269 N LEU A 15 0.548 -21.622 4.348 1.00 61.02 N ATOM 270 CA LEU A 15 0.762 -21.696 2.903 1.00 55.35 C ATOM 271 C LEU A 15 1.693 -22.857 2.508 1.00 63.42 C ATOM 272 O LEU A 15 2.557 -23.250 3.299 1.00 4.30 O ATOM 273 CB LEU A 15 1.266 -20.344 2.342 1.00 54.53 C ATOM 274 CG LEU A 15 2.680 -19.901 2.745 1.00 43.10 C ATOM 275 CD1 LEU A 15 3.296 -19.087 1.624 1.00 70.32 C ATOM 276 CD2 LEU A 15 2.670 -19.074 4.025 1.00 71.53 C ATOM 0 H LEU A 15 1.229 -21.050 4.848 1.00 61.02 H new ATOM 0 HA LEU A 15 -0.206 -21.906 2.447 1.00 55.35 H new ATOM 0 HB2 LEU A 15 1.225 -20.393 1.254 1.00 54.53 H new ATOM 0 HB3 LEU A 15 0.567 -19.567 2.653 1.00 54.53 H new ATOM 0 HG LEU A 15 3.271 -20.798 2.929 1.00 43.10 H new ATOM 0 HD11 LEU A 15 4.300 -18.773 1.911 1.00 70.32 H new ATOM 0 HD12 LEU A 15 3.350 -19.695 0.721 1.00 70.32 H new ATOM 0 HD13 LEU A 15 2.681 -18.207 1.433 1.00 70.32 H new ATOM 0 HD21 LEU A 15 3.689 -18.780 4.276 1.00 71.53 H new ATOM 0 HD22 LEU A 15 2.061 -18.182 3.877 1.00 71.53 H new ATOM 0 HD23 LEU A 15 2.253 -19.668 4.838 1.00 71.53 H new ATOM 288 N PRO A 16 1.505 -23.444 1.283 1.00 50.04 N ATOM 289 CA PRO A 16 2.378 -24.506 0.757 1.00 61.13 C ATOM 290 C PRO A 16 3.799 -24.031 0.504 1.00 71.33 C ATOM 291 O PRO A 16 3.993 -22.904 0.037 1.00 2.11 O ATOM 292 CB PRO A 16 1.698 -24.933 -0.552 1.00 44.43 C ATOM 293 CG PRO A 16 0.806 -23.803 -0.936 1.00 25.02 C ATOM 294 CD PRO A 16 0.384 -23.161 0.353 1.00 34.23 C ATOM 0 HA PRO A 16 2.487 -25.322 1.471 1.00 61.13 H new ATOM 0 HB2 PRO A 16 2.436 -25.130 -1.330 1.00 44.43 H new ATOM 0 HB3 PRO A 16 1.128 -25.852 -0.414 1.00 44.43 H new ATOM 0 HG2 PRO A 16 1.329 -23.091 -1.575 1.00 25.02 H new ATOM 0 HG3 PRO A 16 -0.058 -24.160 -1.497 1.00 25.02 H new ATOM 0 HD2 PRO A 16 0.228 -22.089 0.232 1.00 34.23 H new ATOM 0 HD3 PRO A 16 -0.553 -23.580 0.719 1.00 34.23 H new ATOM 302 N SER A 17 4.764 -24.903 0.899 1.00 61.55 N ATOM 303 CA SER A 17 6.235 -24.659 0.904 1.00 33.44 C ATOM 304 C SER A 17 6.653 -23.706 2.050 1.00 33.42 C ATOM 305 O SER A 17 7.665 -23.969 2.702 1.00 65.44 O ATOM 306 CB SER A 17 6.826 -24.188 -0.462 1.00 64.15 C ATOM 307 OG SER A 17 6.712 -22.783 -0.652 1.00 33.04 O ATOM 0 H SER A 17 4.530 -25.836 1.238 1.00 61.55 H new ATOM 0 HA SER A 17 6.675 -25.640 1.084 1.00 33.44 H new ATOM 0 HB2 SER A 17 7.876 -24.474 -0.517 1.00 64.15 H new ATOM 0 HB3 SER A 17 6.312 -24.704 -1.273 1.00 64.15 H new ATOM 0 HG SER A 17 5.791 -22.502 -0.470 1.00 33.04 H new ATOM 313 N HIS A 18 5.848 -22.628 2.279 1.00 70.45 N ATOM 314 CA HIS A 18 6.083 -21.578 3.285 1.00 44.31 C ATOM 315 C HIS A 18 7.303 -20.723 2.915 1.00 51.20 C ATOM 316 O HIS A 18 8.437 -21.204 2.849 1.00 53.20 O ATOM 317 CB HIS A 18 6.170 -22.146 4.725 1.00 4.33 C ATOM 318 CG HIS A 18 6.451 -21.113 5.797 1.00 22.44 C ATOM 319 ND1 HIS A 18 7.613 -21.098 6.534 1.00 31.14 N ATOM 320 CD2 HIS A 18 5.723 -20.055 6.234 1.00 52.52 C ATOM 321 CE1 HIS A 18 7.586 -20.092 7.380 1.00 11.21 C ATOM 322 NE2 HIS A 18 6.449 -19.436 7.217 1.00 31.12 N ATOM 0 H HIS A 18 4.993 -22.472 1.745 1.00 70.45 H new ATOM 0 HA HIS A 18 5.213 -20.921 3.279 1.00 44.31 H new ATOM 0 HB2 HIS A 18 5.231 -22.648 4.960 1.00 4.33 H new ATOM 0 HB3 HIS A 18 6.953 -22.904 4.755 1.00 4.33 H new ATOM 0 HD2 HIS A 18 4.750 -19.756 5.873 1.00 52.52 H new ATOM 0 HE1 HIS A 18 8.362 -19.843 8.089 1.00 11.21 H new ATOM 0 HE2 HIS A 18 6.161 -18.607 7.737 1.00 31.12 H new ATOM 331 N VAL A 19 7.033 -19.438 2.689 1.00 13.04 N ATOM 332 CA VAL A 19 8.075 -18.457 2.380 1.00 60.32 C ATOM 333 C VAL A 19 8.940 -18.194 3.602 1.00 41.43 C ATOM 334 O VAL A 19 8.443 -17.968 4.719 1.00 62.05 O ATOM 335 CB VAL A 19 7.504 -17.114 1.802 1.00 33.35 C ATOM 336 CG1 VAL A 19 6.935 -17.342 0.415 1.00 43.11 C ATOM 337 CG2 VAL A 19 6.437 -16.485 2.708 1.00 64.21 C ATOM 0 H VAL A 19 6.091 -19.048 2.714 1.00 13.04 H new ATOM 0 HA VAL A 19 8.691 -18.893 1.593 1.00 60.32 H new ATOM 0 HB VAL A 19 8.336 -16.412 1.750 1.00 33.35 H new ATOM 0 HG11 VAL A 19 6.542 -16.403 0.024 1.00 43.11 H new ATOM 0 HG12 VAL A 19 7.721 -17.709 -0.245 1.00 43.11 H new ATOM 0 HG13 VAL A 19 6.132 -18.078 0.467 1.00 43.11 H new ATOM 0 HG21 VAL A 19 6.078 -15.559 2.259 1.00 64.21 H new ATOM 0 HG22 VAL A 19 5.604 -17.178 2.825 1.00 64.21 H new ATOM 0 HG23 VAL A 19 6.870 -16.270 3.685 1.00 64.21 H new ATOM 347 N SER A 20 10.244 -18.302 3.383 1.00 43.22 N ATOM 348 CA SER A 20 11.235 -18.026 4.409 1.00 72.32 C ATOM 349 C SER A 20 11.488 -16.527 4.455 1.00 31.41 C ATOM 350 O SER A 20 11.042 -15.824 3.562 1.00 60.12 O ATOM 351 CB SER A 20 12.544 -18.766 4.096 1.00 13.32 C ATOM 352 OG SER A 20 12.304 -20.112 3.715 1.00 14.31 O ATOM 0 H SER A 20 10.642 -18.584 2.487 1.00 43.22 H new ATOM 0 HA SER A 20 10.866 -18.371 5.375 1.00 72.32 H new ATOM 0 HB2 SER A 20 13.072 -18.249 3.295 1.00 13.32 H new ATOM 0 HB3 SER A 20 13.193 -18.745 4.971 1.00 13.32 H new ATOM 0 HG SER A 20 13.157 -20.554 3.521 1.00 14.31 H new ATOM 358 N SER A 21 12.201 -16.050 5.481 1.00 35.34 N ATOM 359 CA SER A 21 12.519 -14.621 5.623 1.00 54.43 C ATOM 360 C SER A 21 13.272 -14.057 4.404 1.00 41.55 C ATOM 361 O SER A 21 12.938 -12.976 3.934 1.00 2.31 O ATOM 362 CB SER A 21 13.321 -14.377 6.904 1.00 51.23 C ATOM 363 OG SER A 21 12.524 -14.588 8.059 1.00 71.52 O ATOM 0 H SER A 21 12.572 -16.635 6.230 1.00 35.34 H new ATOM 0 HA SER A 21 11.569 -14.089 5.684 1.00 54.43 H new ATOM 0 HB2 SER A 21 14.184 -15.043 6.928 1.00 51.23 H new ATOM 0 HB3 SER A 21 13.706 -13.357 6.906 1.00 51.23 H new ATOM 0 HG SER A 21 13.062 -14.427 8.862 1.00 71.52 H new ATOM 369 N ARG A 22 14.244 -14.824 3.871 1.00 52.45 N ATOM 370 CA ARG A 22 15.032 -14.423 2.686 1.00 50.44 C ATOM 371 C ARG A 22 14.145 -14.318 1.434 1.00 64.13 C ATOM 372 O ARG A 22 14.189 -13.316 0.693 1.00 25.35 O ATOM 373 CB ARG A 22 16.169 -15.449 2.451 1.00 3.12 C ATOM 374 CG ARG A 22 17.096 -15.117 1.280 1.00 10.24 C ATOM 375 CD ARG A 22 16.766 -15.917 0.017 1.00 70.04 C ATOM 376 NE ARG A 22 17.324 -17.274 0.059 1.00 70.31 N ATOM 377 CZ ARG A 22 18.392 -17.675 -0.650 1.00 33.12 C ATOM 378 NH1 ARG A 22 19.044 -16.832 -1.448 1.00 11.33 N ATOM 379 NH2 ARG A 22 18.828 -18.926 -0.542 1.00 74.34 N ATOM 0 H ARG A 22 14.505 -15.735 4.247 1.00 52.45 H new ATOM 0 HA ARG A 22 15.460 -13.438 2.873 1.00 50.44 H new ATOM 0 HB2 ARG A 22 16.766 -15.524 3.360 1.00 3.12 H new ATOM 0 HB3 ARG A 22 15.725 -16.430 2.279 1.00 3.12 H new ATOM 0 HG2 ARG A 22 17.027 -14.052 1.058 1.00 10.24 H new ATOM 0 HG3 ARG A 22 18.127 -15.316 1.571 1.00 10.24 H new ATOM 0 HD2 ARG A 22 15.684 -15.974 -0.102 1.00 70.04 H new ATOM 0 HD3 ARG A 22 17.156 -15.393 -0.855 1.00 70.04 H new ATOM 0 HE ARG A 22 16.871 -17.957 0.666 1.00 70.31 H new ATOM 0 HH11 ARG A 22 18.734 -15.863 -1.529 1.00 11.33 H new ATOM 0 HH12 ARG A 22 19.853 -17.155 -1.979 1.00 11.33 H new ATOM 0 HH21 ARG A 22 18.352 -19.580 0.079 1.00 74.34 H new ATOM 0 HH22 ARG A 22 19.639 -19.232 -1.080 1.00 74.34 H new ATOM 393 N ASP A 23 13.335 -15.356 1.239 1.00 1.44 N ATOM 394 CA ASP A 23 12.498 -15.505 0.044 1.00 12.22 C ATOM 395 C ASP A 23 11.404 -14.450 0.009 1.00 4.34 C ATOM 396 O ASP A 23 11.196 -13.813 -1.027 1.00 21.35 O ATOM 397 CB ASP A 23 11.876 -16.908 -0.028 1.00 75.22 C ATOM 398 CG ASP A 23 12.929 -18.002 -0.028 1.00 21.52 C ATOM 399 OD1 ASP A 23 13.389 -18.394 -1.116 1.00 32.33 O ATOM 400 OD2 ASP A 23 13.312 -18.456 1.070 1.00 62.01 O ATOM 0 H ASP A 23 13.238 -16.122 1.906 1.00 1.44 H new ATOM 0 HA ASP A 23 13.143 -15.368 -0.824 1.00 12.22 H new ATOM 0 HB2 ASP A 23 11.206 -17.051 0.820 1.00 75.22 H new ATOM 0 HB3 ASP A 23 11.270 -16.989 -0.930 1.00 75.22 H new ATOM 405 N VAL A 24 10.751 -14.225 1.155 1.00 13.54 N ATOM 406 CA VAL A 24 9.716 -13.205 1.243 1.00 15.24 C ATOM 407 C VAL A 24 10.345 -11.811 1.163 1.00 11.24 C ATOM 408 O VAL A 24 9.769 -10.937 0.534 1.00 2.52 O ATOM 409 CB VAL A 24 8.789 -13.362 2.503 1.00 15.21 C ATOM 410 CG1 VAL A 24 9.478 -13.028 3.818 1.00 43.02 C ATOM 411 CG2 VAL A 24 7.506 -12.561 2.353 1.00 40.12 C ATOM 0 H VAL A 24 10.923 -14.733 2.023 1.00 13.54 H new ATOM 0 HA VAL A 24 9.055 -13.341 0.387 1.00 15.24 H new ATOM 0 HB VAL A 24 8.541 -14.422 2.548 1.00 15.21 H new ATOM 0 HG11 VAL A 24 8.775 -13.160 4.641 1.00 43.02 H new ATOM 0 HG12 VAL A 24 10.332 -13.691 3.960 1.00 43.02 H new ATOM 0 HG13 VAL A 24 9.821 -11.994 3.796 1.00 43.02 H new ATOM 0 HG21 VAL A 24 6.889 -12.692 3.242 1.00 40.12 H new ATOM 0 HG22 VAL A 24 7.748 -11.505 2.232 1.00 40.12 H new ATOM 0 HG23 VAL A 24 6.959 -12.910 1.477 1.00 40.12 H new ATOM 421 N GLU A 25 11.555 -11.629 1.726 1.00 1.14 N ATOM 422 CA GLU A 25 12.226 -10.336 1.646 1.00 11.51 C ATOM 423 C GLU A 25 12.488 -9.958 0.190 1.00 50.42 C ATOM 424 O GLU A 25 12.003 -8.935 -0.243 1.00 22.22 O ATOM 425 CB GLU A 25 13.529 -10.314 2.458 1.00 4.21 C ATOM 426 CG GLU A 25 14.219 -8.948 2.513 1.00 20.13 C ATOM 427 CD GLU A 25 15.358 -8.898 3.515 1.00 54.13 C ATOM 428 OE1 GLU A 25 16.500 -9.270 3.149 1.00 24.33 O ATOM 429 OE2 GLU A 25 15.112 -8.473 4.663 1.00 10.32 O ATOM 0 H GLU A 25 12.072 -12.350 2.229 1.00 1.14 H new ATOM 0 HA GLU A 25 11.560 -9.594 2.086 1.00 11.51 H new ATOM 0 HB2 GLU A 25 13.314 -10.640 3.476 1.00 4.21 H new ATOM 0 HB3 GLU A 25 14.221 -11.040 2.031 1.00 4.21 H new ATOM 0 HG2 GLU A 25 14.602 -8.701 1.523 1.00 20.13 H new ATOM 0 HG3 GLU A 25 13.483 -8.186 2.769 1.00 20.13 H new ATOM 436 N ASN A 26 13.124 -10.842 -0.586 1.00 3.42 N ATOM 437 CA ASN A 26 13.520 -10.502 -1.964 1.00 11.12 C ATOM 438 C ASN A 26 12.296 -10.451 -2.914 1.00 40.53 C ATOM 439 O ASN A 26 12.032 -9.403 -3.581 1.00 64.24 O ATOM 440 CB ASN A 26 14.555 -11.527 -2.461 1.00 64.42 C ATOM 441 CG ASN A 26 15.292 -11.092 -3.717 1.00 44.41 C ATOM 442 OD1 ASN A 26 14.872 -11.381 -4.835 1.00 31.15 O ATOM 443 ND2 ASN A 26 16.420 -10.410 -3.532 1.00 53.43 N ATOM 0 H ASN A 26 13.374 -11.786 -0.293 1.00 3.42 H new ATOM 0 HA ASN A 26 13.965 -9.507 -1.963 1.00 11.12 H new ATOM 0 HB2 ASN A 26 15.281 -11.710 -1.669 1.00 64.42 H new ATOM 0 HB3 ASN A 26 14.051 -12.474 -2.656 1.00 64.42 H new ATOM 0 HD21 ASN A 26 16.970 -10.107 -4.336 1.00 53.43 H new ATOM 0 HD22 ASN A 26 16.734 -10.190 -2.587 1.00 53.43 H new ATOM 450 N GLU A 27 11.494 -11.528 -2.881 1.00 40.35 N ATOM 451 CA GLU A 27 10.384 -11.683 -3.820 1.00 51.24 C ATOM 452 C GLU A 27 9.288 -10.666 -3.522 1.00 13.15 C ATOM 453 O GLU A 27 8.801 -10.015 -4.437 1.00 23.24 O ATOM 454 CB GLU A 27 9.805 -13.102 -3.794 1.00 54.34 C ATOM 455 CG GLU A 27 8.896 -13.431 -4.974 1.00 45.53 C ATOM 456 CD GLU A 27 9.663 -13.740 -6.247 1.00 72.12 C ATOM 457 OE1 GLU A 27 10.232 -12.805 -6.855 1.00 52.10 O ATOM 458 OE2 GLU A 27 9.707 -14.929 -6.638 1.00 13.11 O ATOM 0 H GLU A 27 11.597 -12.296 -2.217 1.00 40.35 H new ATOM 0 HA GLU A 27 10.779 -11.504 -4.820 1.00 51.24 H new ATOM 0 HB2 GLU A 27 10.627 -13.817 -3.774 1.00 54.34 H new ATOM 0 HB3 GLU A 27 9.243 -13.236 -2.869 1.00 54.34 H new ATOM 0 HG2 GLU A 27 8.271 -14.286 -4.716 1.00 45.53 H new ATOM 0 HG3 GLU A 27 8.227 -12.590 -5.155 1.00 45.53 H new ATOM 465 N PHE A 28 8.947 -10.481 -2.241 1.00 50.14 N ATOM 466 CA PHE A 28 7.916 -9.511 -1.893 1.00 10.51 C ATOM 467 C PHE A 28 8.454 -8.063 -1.958 1.00 33.15 C ATOM 468 O PHE A 28 7.666 -7.151 -2.204 1.00 11.43 O ATOM 469 CB PHE A 28 7.263 -9.821 -0.528 1.00 4.44 C ATOM 470 CG PHE A 28 5.852 -10.341 -0.589 1.00 72.51 C ATOM 471 CD1 PHE A 28 5.590 -11.690 -0.766 1.00 31.11 C ATOM 472 CD2 PHE A 28 4.780 -9.472 -0.431 1.00 30.02 C ATOM 473 CE1 PHE A 28 4.293 -12.161 -0.790 1.00 21.14 C ATOM 474 CE2 PHE A 28 3.479 -9.939 -0.450 1.00 21.35 C ATOM 475 CZ PHE A 28 3.236 -11.289 -0.630 1.00 75.15 C ATOM 0 H PHE A 28 9.360 -10.978 -1.451 1.00 50.14 H new ATOM 0 HA PHE A 28 7.130 -9.599 -2.643 1.00 10.51 H new ATOM 0 HB2 PHE A 28 7.880 -10.554 -0.008 1.00 4.44 H new ATOM 0 HB3 PHE A 28 7.271 -8.912 0.074 1.00 4.44 H new ATOM 0 HD1 PHE A 28 6.411 -12.381 -0.887 1.00 31.11 H new ATOM 0 HD2 PHE A 28 4.965 -8.417 -0.291 1.00 30.02 H new ATOM 0 HE1 PHE A 28 4.105 -13.215 -0.934 1.00 21.14 H new ATOM 0 HE2 PHE A 28 2.655 -9.252 -0.325 1.00 21.35 H new ATOM 0 HZ PHE A 28 2.222 -11.659 -0.645 1.00 75.15 H new ATOM 485 N ARG A 29 9.790 -7.836 -1.795 1.00 52.31 N ATOM 486 CA ARG A 29 10.331 -6.466 -1.975 1.00 22.13 C ATOM 487 C ARG A 29 10.348 -6.051 -3.443 1.00 24.52 C ATOM 488 O ARG A 29 10.415 -4.849 -3.731 1.00 65.13 O ATOM 489 CB ARG A 29 11.728 -6.211 -1.374 1.00 22.53 C ATOM 490 CG ARG A 29 12.907 -6.593 -2.254 1.00 75.33 C ATOM 491 CD ARG A 29 14.053 -5.614 -2.093 1.00 4.53 C ATOM 492 NE ARG A 29 14.855 -5.535 -3.305 1.00 23.14 N ATOM 493 CZ ARG A 29 14.593 -4.716 -4.335 1.00 12.45 C ATOM 494 NH1 ARG A 29 13.537 -3.896 -4.321 1.00 35.24 N ATOM 495 NH2 ARG A 29 15.393 -4.722 -5.385 1.00 72.54 N ATOM 0 H ARG A 29 10.478 -8.548 -1.551 1.00 52.31 H new ATOM 0 HA ARG A 29 9.633 -5.852 -1.405 1.00 22.13 H new ATOM 0 HB2 ARG A 29 11.810 -5.152 -1.129 1.00 22.53 H new ATOM 0 HB3 ARG A 29 11.805 -6.762 -0.436 1.00 22.53 H new ATOM 0 HG2 ARG A 29 13.245 -7.597 -1.998 1.00 75.33 H new ATOM 0 HG3 ARG A 29 12.592 -6.619 -3.297 1.00 75.33 H new ATOM 0 HD2 ARG A 29 13.660 -4.627 -1.850 1.00 4.53 H new ATOM 0 HD3 ARG A 29 14.682 -5.921 -1.257 1.00 4.53 H new ATOM 0 HE ARG A 29 15.671 -6.143 -3.376 1.00 23.14 H new ATOM 0 HH11 ARG A 29 12.911 -3.884 -3.516 1.00 35.24 H new ATOM 0 HH12 ARG A 29 13.358 -3.282 -5.115 1.00 35.24 H new ATOM 0 HH21 ARG A 29 16.200 -5.345 -5.407 1.00 72.54 H new ATOM 0 HH22 ARG A 29 15.204 -4.104 -6.174 1.00 72.54 H new ATOM 509 N LYS A 30 10.358 -7.021 -4.379 1.00 63.34 N ATOM 510 CA LYS A 30 10.170 -6.665 -5.796 1.00 72.32 C ATOM 511 C LYS A 30 8.774 -6.011 -6.039 1.00 43.53 C ATOM 512 O LYS A 30 8.637 -5.158 -6.925 1.00 2.52 O ATOM 513 CB LYS A 30 10.456 -7.898 -6.708 1.00 51.10 C ATOM 514 CG LYS A 30 9.271 -8.500 -7.493 1.00 44.21 C ATOM 515 CD LYS A 30 8.986 -7.755 -8.802 1.00 52.04 C ATOM 516 CE LYS A 30 7.556 -7.981 -9.268 1.00 34.32 C ATOM 517 NZ LYS A 30 7.150 -7.038 -10.345 1.00 12.44 N ATOM 0 H LYS A 30 10.488 -8.015 -4.191 1.00 63.34 H new ATOM 0 HA LYS A 30 10.897 -5.901 -6.072 1.00 72.32 H new ATOM 0 HB2 LYS A 30 11.224 -7.612 -7.427 1.00 51.10 H new ATOM 0 HB3 LYS A 30 10.880 -8.685 -6.085 1.00 51.10 H new ATOM 0 HG2 LYS A 30 9.482 -9.546 -7.714 1.00 44.21 H new ATOM 0 HG3 LYS A 30 8.379 -8.480 -6.867 1.00 44.21 H new ATOM 0 HD2 LYS A 30 9.160 -6.688 -8.661 1.00 52.04 H new ATOM 0 HD3 LYS A 30 9.679 -8.092 -9.573 1.00 52.04 H new ATOM 0 HE2 LYS A 30 7.453 -9.005 -9.628 1.00 34.32 H new ATOM 0 HE3 LYS A 30 6.880 -7.872 -8.420 1.00 34.32 H new ATOM 0 HZ1 LYS A 30 6.168 -7.234 -10.626 1.00 12.44 H new ATOM 0 HZ2 LYS A 30 7.221 -6.061 -9.996 1.00 12.44 H new ATOM 0 HZ3 LYS A 30 7.776 -7.159 -11.166 1.00 12.44 H new ATOM 531 N TYR A 31 7.768 -6.378 -5.239 1.00 65.21 N ATOM 532 CA TYR A 31 6.414 -5.826 -5.399 1.00 52.21 C ATOM 533 C TYR A 31 6.206 -4.537 -4.597 1.00 54.02 C ATOM 534 O TYR A 31 5.553 -3.622 -5.082 1.00 30.42 O ATOM 535 CB TYR A 31 5.347 -6.855 -4.992 1.00 10.22 C ATOM 536 CG TYR A 31 5.323 -8.082 -5.872 1.00 14.13 C ATOM 537 CD1 TYR A 31 4.559 -8.113 -7.031 1.00 5.42 C ATOM 538 CD2 TYR A 31 6.070 -9.206 -5.550 1.00 54.34 C ATOM 539 CE1 TYR A 31 4.543 -9.232 -7.839 1.00 71.22 C ATOM 540 CE2 TYR A 31 6.056 -10.330 -6.348 1.00 11.44 C ATOM 541 CZ TYR A 31 5.299 -10.334 -7.493 1.00 44.41 C ATOM 542 OH TYR A 31 5.293 -11.437 -8.305 1.00 61.10 O ATOM 0 H TYR A 31 7.862 -7.051 -4.478 1.00 65.21 H new ATOM 0 HA TYR A 31 6.307 -5.586 -6.457 1.00 52.21 H new ATOM 0 HB2 TYR A 31 5.524 -7.161 -3.961 1.00 10.22 H new ATOM 0 HB3 TYR A 31 4.367 -6.379 -5.019 1.00 10.22 H new ATOM 0 HD1 TYR A 31 3.969 -7.250 -7.304 1.00 5.42 H new ATOM 0 HD2 TYR A 31 6.675 -9.200 -4.655 1.00 54.34 H new ATOM 0 HE1 TYR A 31 3.943 -9.245 -8.737 1.00 71.22 H new ATOM 0 HE2 TYR A 31 6.635 -11.200 -6.075 1.00 11.44 H new ATOM 0 HH TYR A 31 4.369 -11.722 -8.463 1.00 61.10 H new ATOM 552 N GLY A 32 6.781 -4.453 -3.402 1.00 73.15 N ATOM 553 CA GLY A 32 6.609 -3.266 -2.583 1.00 21.24 C ATOM 554 C GLY A 32 7.747 -3.064 -1.606 1.00 52.24 C ATOM 555 O GLY A 32 8.588 -3.944 -1.439 1.00 55.20 O ATOM 0 H GLY A 32 7.361 -5.182 -2.987 1.00 73.15 H new ATOM 0 HA2 GLY A 32 6.530 -2.392 -3.229 1.00 21.24 H new ATOM 0 HA3 GLY A 32 5.671 -3.342 -2.032 1.00 21.24 H new ATOM 559 N ASN A 33 7.758 -1.921 -0.937 1.00 65.51 N ATOM 560 CA ASN A 33 8.855 -1.562 -0.044 1.00 53.41 C ATOM 561 C ASN A 33 8.708 -2.212 1.336 1.00 1.42 C ATOM 562 O ASN A 33 7.782 -1.911 2.098 1.00 54.40 O ATOM 563 CB ASN A 33 8.957 -0.043 0.073 1.00 24.11 C ATOM 564 CG ASN A 33 10.041 0.547 -0.813 1.00 52.14 C ATOM 565 OD1 ASN A 33 10.447 -0.042 -1.815 1.00 61.44 O ATOM 566 ND2 ASN A 33 10.496 1.733 -0.456 1.00 0.31 N ATOM 0 H ASN A 33 7.017 -1.222 -0.995 1.00 65.51 H new ATOM 0 HA ASN A 33 9.779 -1.946 -0.476 1.00 53.41 H new ATOM 0 HB2 ASN A 33 7.997 0.402 -0.191 1.00 24.11 H new ATOM 0 HB3 ASN A 33 9.158 0.224 1.111 1.00 24.11 H new ATOM 0 HD21 ASN A 33 11.211 2.195 -1.018 1.00 0.31 H new ATOM 0 HD22 ASN A 33 10.133 2.187 0.382 1.00 0.31 H new ATOM 573 N ILE A 34 9.636 -3.126 1.626 1.00 4.54 N ATOM 574 CA ILE A 34 9.658 -3.856 2.891 1.00 12.32 C ATOM 575 C ILE A 34 10.514 -3.111 3.931 1.00 42.21 C ATOM 576 O ILE A 34 11.662 -2.722 3.682 1.00 71.41 O ATOM 577 CB ILE A 34 10.130 -5.339 2.661 1.00 62.22 C ATOM 578 CG1 ILE A 34 10.124 -6.189 3.973 1.00 44.04 C ATOM 579 CG2 ILE A 34 11.488 -5.392 1.960 1.00 64.54 C ATOM 580 CD1 ILE A 34 11.493 -6.443 4.613 1.00 4.45 C ATOM 0 H ILE A 34 10.392 -3.379 0.990 1.00 4.54 H new ATOM 0 HA ILE A 34 8.647 -3.905 3.296 1.00 12.32 H new ATOM 0 HB ILE A 34 9.396 -5.797 1.998 1.00 62.22 H new ATOM 0 HG12 ILE A 34 9.490 -5.688 4.705 1.00 44.04 H new ATOM 0 HG13 ILE A 34 9.661 -7.152 3.757 1.00 44.04 H new ATOM 0 HG21 ILE A 34 11.783 -6.431 1.817 1.00 64.54 H new ATOM 0 HG22 ILE A 34 11.417 -4.899 0.991 1.00 64.54 H new ATOM 0 HG23 ILE A 34 12.233 -4.884 2.572 1.00 64.54 H new ATOM 0 HD11 ILE A 34 11.367 -7.042 5.515 1.00 4.45 H new ATOM 0 HD12 ILE A 34 12.130 -6.977 3.909 1.00 4.45 H new ATOM 0 HD13 ILE A 34 11.956 -5.491 4.871 1.00 4.45 H new ATOM 592 N LEU A 35 9.898 -2.869 5.076 1.00 43.51 N ATOM 593 CA LEU A 35 10.532 -2.208 6.199 1.00 5.45 C ATOM 594 C LEU A 35 11.092 -3.264 7.170 1.00 1.15 C ATOM 595 O LEU A 35 12.220 -3.131 7.648 1.00 15.24 O ATOM 596 CB LEU A 35 9.504 -1.280 6.882 1.00 12.43 C ATOM 597 CG LEU A 35 8.687 -0.363 5.933 1.00 55.13 C ATOM 598 CD1 LEU A 35 7.650 0.434 6.708 1.00 70.00 C ATOM 599 CD2 LEU A 35 9.594 0.592 5.163 1.00 32.34 C ATOM 0 H LEU A 35 8.928 -3.131 5.252 1.00 43.51 H new ATOM 0 HA LEU A 35 11.369 -1.596 5.862 1.00 5.45 H new ATOM 0 HB2 LEU A 35 8.807 -1.897 7.450 1.00 12.43 H new ATOM 0 HB3 LEU A 35 10.031 -0.651 7.600 1.00 12.43 H new ATOM 0 HG LEU A 35 8.179 -1.011 5.219 1.00 55.13 H new ATOM 0 HD11 LEU A 35 7.091 1.069 6.021 1.00 70.00 H new ATOM 0 HD12 LEU A 35 6.965 -0.250 7.209 1.00 70.00 H new ATOM 0 HD13 LEU A 35 8.150 1.056 7.451 1.00 70.00 H new ATOM 0 HD21 LEU A 35 8.989 1.219 4.508 1.00 32.34 H new ATOM 0 HD22 LEU A 35 10.140 1.221 5.866 1.00 32.34 H new ATOM 0 HD23 LEU A 35 10.302 0.018 4.564 1.00 32.34 H new ATOM 611 N LYS A 36 10.300 -4.325 7.432 1.00 4.52 N ATOM 612 CA LYS A 36 10.779 -5.510 8.182 1.00 12.44 C ATOM 613 C LYS A 36 10.000 -6.766 7.758 1.00 70.15 C ATOM 614 O LYS A 36 8.864 -6.674 7.284 1.00 41.21 O ATOM 615 CB LYS A 36 10.693 -5.318 9.723 1.00 32.15 C ATOM 616 CG LYS A 36 9.296 -5.455 10.324 1.00 40.44 C ATOM 617 CD LYS A 36 9.147 -6.722 11.163 1.00 13.02 C ATOM 618 CE LYS A 36 7.688 -7.000 11.515 1.00 2.33 C ATOM 619 NZ LYS A 36 7.083 -5.909 12.325 1.00 63.31 N ATOM 0 H LYS A 36 9.326 -4.387 7.136 1.00 4.52 H new ATOM 0 HA LYS A 36 11.833 -5.636 7.933 1.00 12.44 H new ATOM 0 HB2 LYS A 36 11.348 -6.047 10.200 1.00 32.15 H new ATOM 0 HB3 LYS A 36 11.081 -4.330 9.971 1.00 32.15 H new ATOM 0 HG2 LYS A 36 9.083 -4.584 10.944 1.00 40.44 H new ATOM 0 HG3 LYS A 36 8.557 -5.464 9.522 1.00 40.44 H new ATOM 0 HD2 LYS A 36 9.557 -7.571 10.616 1.00 13.02 H new ATOM 0 HD3 LYS A 36 9.729 -6.622 12.079 1.00 13.02 H new ATOM 0 HE2 LYS A 36 7.114 -7.129 10.598 1.00 2.33 H new ATOM 0 HE3 LYS A 36 7.622 -7.938 12.067 1.00 2.33 H new ATOM 0 HZ1 LYS A 36 6.115 -6.174 12.596 1.00 63.31 H new ATOM 0 HZ2 LYS A 36 7.653 -5.756 13.182 1.00 63.31 H new ATOM 0 HZ3 LYS A 36 7.058 -5.033 11.765 1.00 63.31 H new ATOM 633 N CYS A 37 10.634 -7.928 7.899 1.00 1.52 N ATOM 634 CA CYS A 37 9.967 -9.208 7.673 1.00 10.40 C ATOM 635 C CYS A 37 10.154 -10.110 8.890 1.00 63.20 C ATOM 636 O CYS A 37 11.280 -10.336 9.341 1.00 3.15 O ATOM 637 CB CYS A 37 10.488 -9.885 6.393 1.00 60.42 C ATOM 638 SG CYS A 37 12.286 -10.065 6.304 1.00 42.33 S ATOM 0 H CYS A 37 11.614 -8.009 8.170 1.00 1.52 H new ATOM 0 HA CYS A 37 8.901 -9.028 7.533 1.00 10.40 H new ATOM 0 HB2 CYS A 37 10.034 -10.873 6.311 1.00 60.42 H new ATOM 0 HB3 CYS A 37 10.152 -9.308 5.532 1.00 60.42 H new ATOM 0 HG CYS A 37 12.762 -10.262 7.498 1.00 42.33 H new ATOM 644 N ASP A 38 9.037 -10.585 9.442 1.00 61.21 N ATOM 645 CA ASP A 38 9.067 -11.405 10.657 1.00 0.11 C ATOM 646 C ASP A 38 8.255 -12.682 10.477 1.00 14.23 C ATOM 647 O ASP A 38 7.093 -12.636 10.118 1.00 54.02 O ATOM 648 CB ASP A 38 8.566 -10.591 11.852 1.00 21.01 C ATOM 649 CG ASP A 38 8.608 -11.355 13.164 1.00 33.52 C ATOM 650 OD1 ASP A 38 9.696 -11.783 13.572 1.00 71.43 O ATOM 651 OD2 ASP A 38 7.548 -11.523 13.780 1.00 64.10 O ATOM 0 H ASP A 38 8.102 -10.418 9.070 1.00 61.21 H new ATOM 0 HA ASP A 38 10.098 -11.701 10.851 1.00 0.11 H new ATOM 0 HB2 ASP A 38 9.170 -9.689 11.946 1.00 21.01 H new ATOM 0 HB3 ASP A 38 7.542 -10.270 11.660 1.00 21.01 H new ATOM 656 N VAL A 39 8.878 -13.823 10.732 1.00 62.21 N ATOM 657 CA VAL A 39 8.249 -15.121 10.477 1.00 43.53 C ATOM 658 C VAL A 39 7.950 -15.865 11.797 1.00 33.11 C ATOM 659 O VAL A 39 8.847 -16.108 12.607 1.00 32.11 O ATOM 660 CB VAL A 39 9.135 -15.967 9.505 1.00 13.33 C ATOM 661 CG1 VAL A 39 8.638 -17.396 9.355 1.00 23.42 C ATOM 662 CG2 VAL A 39 9.194 -15.308 8.127 1.00 53.42 C ATOM 0 H VAL A 39 9.821 -13.882 11.116 1.00 62.21 H new ATOM 0 HA VAL A 39 7.288 -14.957 9.989 1.00 43.53 H new ATOM 0 HB VAL A 39 10.131 -16.005 9.946 1.00 13.33 H new ATOM 0 HG11 VAL A 39 9.290 -17.938 8.669 1.00 23.42 H new ATOM 0 HG12 VAL A 39 8.645 -17.888 10.328 1.00 23.42 H new ATOM 0 HG13 VAL A 39 7.622 -17.388 8.960 1.00 23.42 H new ATOM 0 HG21 VAL A 39 9.814 -15.909 7.462 1.00 53.42 H new ATOM 0 HG22 VAL A 39 8.187 -15.234 7.716 1.00 53.42 H new ATOM 0 HG23 VAL A 39 9.622 -14.310 8.219 1.00 53.42 H new ATOM 672 N LYS A 40 6.672 -16.216 11.999 1.00 33.41 N ATOM 673 CA LYS A 40 6.205 -16.828 13.254 1.00 55.35 C ATOM 674 C LYS A 40 5.577 -18.203 12.991 1.00 41.21 C ATOM 675 O LYS A 40 5.231 -18.516 11.861 1.00 44.05 O ATOM 676 CB LYS A 40 5.142 -15.953 13.948 1.00 42.40 C ATOM 677 CG LYS A 40 5.477 -14.466 14.067 1.00 63.52 C ATOM 678 CD LYS A 40 4.786 -13.637 12.985 1.00 1.22 C ATOM 679 CE LYS A 40 3.916 -12.547 13.594 1.00 71.30 C ATOM 680 NZ LYS A 40 4.725 -11.547 14.335 1.00 41.53 N ATOM 0 H LYS A 40 5.937 -16.086 11.304 1.00 33.41 H new ATOM 0 HA LYS A 40 7.080 -16.925 13.896 1.00 55.35 H new ATOM 0 HB2 LYS A 40 4.204 -16.052 13.401 1.00 42.40 H new ATOM 0 HB3 LYS A 40 4.971 -16.349 14.949 1.00 42.40 H new ATOM 0 HG2 LYS A 40 5.175 -14.104 15.050 1.00 63.52 H new ATOM 0 HG3 LYS A 40 6.556 -14.330 13.994 1.00 63.52 H new ATOM 0 HD2 LYS A 40 5.536 -13.186 12.335 1.00 1.22 H new ATOM 0 HD3 LYS A 40 4.173 -14.288 12.361 1.00 1.22 H new ATOM 0 HE2 LYS A 40 3.354 -12.047 12.805 1.00 71.30 H new ATOM 0 HE3 LYS A 40 3.188 -12.997 14.268 1.00 71.30 H new ATOM 0 HZ1 LYS A 40 4.380 -10.591 14.116 1.00 41.53 H new ATOM 0 HZ2 LYS A 40 4.640 -11.720 15.357 1.00 41.53 H new ATOM 0 HZ3 LYS A 40 5.722 -11.629 14.052 1.00 41.53 H new ATOM 694 N LYS A 41 5.460 -19.031 14.031 1.00 11.33 N ATOM 695 CA LYS A 41 4.729 -20.301 13.921 1.00 73.22 C ATOM 696 C LYS A 41 3.774 -20.493 15.113 1.00 54.54 C ATOM 697 O LYS A 41 4.004 -19.934 16.187 1.00 51.40 O ATOM 698 CB LYS A 41 5.688 -21.516 13.757 1.00 12.04 C ATOM 699 CG LYS A 41 6.366 -22.058 15.039 1.00 44.51 C ATOM 700 CD LYS A 41 7.389 -21.111 15.687 1.00 11.31 C ATOM 701 CE LYS A 41 8.553 -20.792 14.761 1.00 25.10 C ATOM 702 NZ LYS A 41 9.673 -20.117 15.473 1.00 32.21 N ATOM 0 H LYS A 41 5.857 -18.850 14.953 1.00 11.33 H new ATOM 0 HA LYS A 41 4.127 -20.251 13.014 1.00 73.22 H new ATOM 0 HB2 LYS A 41 5.126 -22.331 13.301 1.00 12.04 H new ATOM 0 HB3 LYS A 41 6.471 -21.236 13.053 1.00 12.04 H new ATOM 0 HG2 LYS A 41 5.592 -22.287 15.771 1.00 44.51 H new ATOM 0 HG3 LYS A 41 6.865 -22.997 14.798 1.00 44.51 H new ATOM 0 HD2 LYS A 41 6.892 -20.184 15.973 1.00 11.31 H new ATOM 0 HD3 LYS A 41 7.770 -21.564 16.602 1.00 11.31 H new ATOM 0 HE2 LYS A 41 8.917 -21.714 14.308 1.00 25.10 H new ATOM 0 HE3 LYS A 41 8.204 -20.154 13.949 1.00 25.10 H new ATOM 0 HZ1 LYS A 41 10.442 -19.920 14.802 1.00 32.21 H new ATOM 0 HZ2 LYS A 41 9.335 -19.224 15.884 1.00 32.21 H new ATOM 0 HZ3 LYS A 41 10.025 -20.736 16.231 1.00 32.21 H new ATOM 716 N THR A 42 2.679 -21.232 14.912 1.00 52.25 N ATOM 717 CA THR A 42 1.826 -21.658 16.027 1.00 41.34 C ATOM 718 C THR A 42 2.134 -23.126 16.396 1.00 5.22 C ATOM 719 O THR A 42 2.833 -23.828 15.655 1.00 71.42 O ATOM 720 CB THR A 42 0.301 -21.454 15.724 1.00 51.33 C ATOM 721 OG1 THR A 42 -0.505 -21.723 16.879 1.00 5.12 O ATOM 722 CG2 THR A 42 -0.179 -22.330 14.578 1.00 33.41 C ATOM 0 H THR A 42 2.363 -21.546 13.994 1.00 52.25 H new ATOM 0 HA THR A 42 2.056 -21.023 16.883 1.00 41.34 H new ATOM 0 HB THR A 42 0.190 -20.408 15.437 1.00 51.33 H new ATOM 0 HG1 THR A 42 -1.450 -21.585 16.658 1.00 5.12 H new ATOM 0 HG21 THR A 42 -1.241 -22.154 14.405 1.00 33.41 H new ATOM 0 HG22 THR A 42 0.381 -22.087 13.675 1.00 33.41 H new ATOM 0 HG23 THR A 42 -0.022 -23.379 14.831 1.00 33.41 H new ATOM 730 N VAL A 43 1.593 -23.582 17.531 1.00 11.40 N ATOM 731 CA VAL A 43 1.782 -24.952 18.033 1.00 33.34 C ATOM 732 C VAL A 43 0.931 -25.969 17.227 1.00 61.13 C ATOM 733 O VAL A 43 1.188 -27.181 17.251 1.00 53.22 O ATOM 734 CB VAL A 43 1.422 -25.025 19.552 1.00 12.22 C ATOM 735 CG1 VAL A 43 1.837 -26.347 20.185 1.00 73.30 C ATOM 736 CG2 VAL A 43 2.051 -23.869 20.321 1.00 23.02 C ATOM 0 H VAL A 43 1.006 -23.007 18.135 1.00 11.40 H new ATOM 0 HA VAL A 43 2.831 -25.217 17.904 1.00 33.34 H new ATOM 0 HB VAL A 43 0.336 -24.951 19.614 1.00 12.22 H new ATOM 0 HG11 VAL A 43 1.564 -26.346 21.240 1.00 73.30 H new ATOM 0 HG12 VAL A 43 1.329 -27.168 19.679 1.00 73.30 H new ATOM 0 HG13 VAL A 43 2.915 -26.474 20.089 1.00 73.30 H new ATOM 0 HG21 VAL A 43 1.784 -23.945 21.375 1.00 23.02 H new ATOM 0 HG22 VAL A 43 3.135 -23.910 20.218 1.00 23.02 H new ATOM 0 HG23 VAL A 43 1.684 -22.924 19.921 1.00 23.02 H new ATOM 746 N SER A 44 -0.044 -25.455 16.465 1.00 1.43 N ATOM 747 CA SER A 44 -0.951 -26.281 15.658 1.00 44.05 C ATOM 748 C SER A 44 -0.270 -26.816 14.380 1.00 1.54 C ATOM 749 O SER A 44 -0.851 -27.625 13.651 1.00 12.13 O ATOM 750 CB SER A 44 -2.182 -25.451 15.268 1.00 34.11 C ATOM 751 OG SER A 44 -2.670 -24.708 16.373 1.00 4.25 O ATOM 0 H SER A 44 -0.226 -24.454 16.391 1.00 1.43 H new ATOM 0 HA SER A 44 -1.243 -27.140 16.262 1.00 44.05 H new ATOM 0 HB2 SER A 44 -1.924 -24.772 14.455 1.00 34.11 H new ATOM 0 HB3 SER A 44 -2.966 -26.111 14.895 1.00 34.11 H new ATOM 0 HG SER A 44 -3.453 -24.187 16.097 1.00 4.25 H new ATOM 757 N GLY A 45 0.955 -26.346 14.102 1.00 3.42 N ATOM 758 CA GLY A 45 1.713 -26.837 12.962 1.00 3.13 C ATOM 759 C GLY A 45 1.689 -25.893 11.773 1.00 62.12 C ATOM 760 O GLY A 45 2.357 -26.135 10.766 1.00 33.24 O ATOM 0 H GLY A 45 1.432 -25.631 14.652 1.00 3.42 H new ATOM 0 HA2 GLY A 45 2.747 -27.001 13.266 1.00 3.13 H new ATOM 0 HA3 GLY A 45 1.313 -27.804 12.657 1.00 3.13 H new ATOM 764 N ALA A 46 0.917 -24.820 11.894 1.00 62.02 N ATOM 765 CA ALA A 46 0.818 -23.812 10.848 1.00 53.43 C ATOM 766 C ALA A 46 1.882 -22.743 11.027 1.00 60.12 C ATOM 767 O ALA A 46 2.155 -22.304 12.147 1.00 75.01 O ATOM 768 CB ALA A 46 -0.564 -23.183 10.839 1.00 15.52 C ATOM 0 H ALA A 46 0.345 -24.625 12.716 1.00 62.02 H new ATOM 0 HA ALA A 46 0.982 -24.304 9.889 1.00 53.43 H new ATOM 0 HB1 ALA A 46 -0.617 -22.433 10.050 1.00 15.52 H new ATOM 0 HB2 ALA A 46 -1.313 -23.954 10.658 1.00 15.52 H new ATOM 0 HB3 ALA A 46 -0.755 -22.711 11.803 1.00 15.52 H new ATOM 774 N ALA A 47 2.479 -22.337 9.921 1.00 62.13 N ATOM 775 CA ALA A 47 3.513 -21.319 9.925 1.00 53.44 C ATOM 776 C ALA A 47 3.037 -20.068 9.187 1.00 2.50 C ATOM 777 O ALA A 47 2.269 -20.158 8.233 1.00 21.52 O ATOM 778 CB ALA A 47 4.796 -21.873 9.326 1.00 11.43 C ATOM 0 H ALA A 47 2.260 -22.704 8.995 1.00 62.13 H new ATOM 0 HA ALA A 47 3.724 -21.029 10.954 1.00 53.44 H new ATOM 0 HB1 ALA A 47 5.565 -21.100 9.334 1.00 11.43 H new ATOM 0 HB2 ALA A 47 5.133 -22.727 9.914 1.00 11.43 H new ATOM 0 HB3 ALA A 47 4.611 -22.190 8.300 1.00 11.43 H new ATOM 784 N PHE A 48 3.509 -18.904 9.629 1.00 15.31 N ATOM 785 CA PHE A 48 3.006 -17.614 9.147 1.00 73.13 C ATOM 786 C PHE A 48 4.167 -16.671 8.882 1.00 43.34 C ATOM 787 O PHE A 48 5.299 -16.930 9.278 1.00 51.20 O ATOM 788 CB PHE A 48 2.086 -16.909 10.183 1.00 55.13 C ATOM 789 CG PHE A 48 1.134 -17.791 10.951 1.00 44.42 C ATOM 790 CD1 PHE A 48 1.527 -18.366 12.145 1.00 21.31 C ATOM 791 CD2 PHE A 48 -0.144 -18.037 10.486 1.00 54.31 C ATOM 792 CE1 PHE A 48 0.667 -19.166 12.853 1.00 52.13 C ATOM 793 CE2 PHE A 48 -1.013 -18.840 11.192 1.00 24.31 C ATOM 794 CZ PHE A 48 -0.607 -19.407 12.376 1.00 43.42 C ATOM 0 H PHE A 48 4.248 -18.826 10.328 1.00 15.31 H new ATOM 0 HA PHE A 48 2.437 -17.828 8.242 1.00 73.13 H new ATOM 0 HB2 PHE A 48 2.719 -16.385 10.900 1.00 55.13 H new ATOM 0 HB3 PHE A 48 1.502 -16.151 9.660 1.00 55.13 H new ATOM 0 HD1 PHE A 48 2.522 -18.183 12.524 1.00 21.31 H new ATOM 0 HD2 PHE A 48 -0.466 -17.593 9.556 1.00 54.31 H new ATOM 0 HE1 PHE A 48 0.986 -19.608 13.785 1.00 52.13 H new ATOM 0 HE2 PHE A 48 -2.009 -19.023 10.816 1.00 24.31 H new ATOM 0 HZ PHE A 48 -1.282 -20.040 12.933 1.00 43.42 H new ATOM 804 N ALA A 49 3.870 -15.592 8.177 1.00 43.53 N ATOM 805 CA ALA A 49 4.802 -14.511 7.976 1.00 31.05 C ATOM 806 C ALA A 49 4.070 -13.175 8.035 1.00 33.33 C ATOM 807 O ALA A 49 2.941 -13.034 7.526 1.00 61.23 O ATOM 808 CB ALA A 49 5.561 -14.664 6.666 1.00 21.33 C ATOM 0 H ALA A 49 2.966 -15.447 7.727 1.00 43.53 H new ATOM 0 HA ALA A 49 5.540 -14.541 8.778 1.00 31.05 H new ATOM 0 HB1 ALA A 49 6.254 -13.831 6.548 1.00 21.33 H new ATOM 0 HB2 ALA A 49 6.118 -15.601 6.675 1.00 21.33 H new ATOM 0 HB3 ALA A 49 4.855 -14.669 5.835 1.00 21.33 H new ATOM 814 N PHE A 50 4.730 -12.230 8.674 1.00 53.42 N ATOM 815 CA PHE A 50 4.238 -10.885 8.866 1.00 23.14 C ATOM 816 C PHE A 50 5.154 -9.955 8.090 1.00 71.23 C ATOM 817 O PHE A 50 6.358 -9.885 8.376 1.00 71.34 O ATOM 818 CB PHE A 50 4.310 -10.584 10.364 1.00 51.32 C ATOM 819 CG PHE A 50 3.127 -9.878 10.965 1.00 12.11 C ATOM 820 CD1 PHE A 50 1.823 -10.189 10.600 1.00 44.41 C ATOM 821 CD2 PHE A 50 3.334 -8.924 11.946 1.00 23.43 C ATOM 822 CE1 PHE A 50 0.754 -9.544 11.194 1.00 14.34 C ATOM 823 CE2 PHE A 50 2.271 -8.287 12.545 1.00 32.12 C ATOM 824 CZ PHE A 50 0.980 -8.596 12.172 1.00 32.02 C ATOM 0 H PHE A 50 5.651 -12.384 9.085 1.00 53.42 H new ATOM 0 HA PHE A 50 3.212 -10.759 8.519 1.00 23.14 H new ATOM 0 HB2 PHE A 50 4.451 -11.526 10.895 1.00 51.32 H new ATOM 0 HB3 PHE A 50 5.198 -9.979 10.548 1.00 51.32 H new ATOM 0 HD1 PHE A 50 1.643 -10.941 9.846 1.00 44.41 H new ATOM 0 HD2 PHE A 50 4.342 -8.676 12.245 1.00 23.43 H new ATOM 0 HE1 PHE A 50 -0.256 -9.781 10.894 1.00 14.34 H new ATOM 0 HE2 PHE A 50 2.448 -7.544 13.308 1.00 32.12 H new ATOM 0 HZ PHE A 50 0.147 -8.097 12.644 1.00 32.02 H new ATOM 834 N ILE A 51 4.603 -9.243 7.115 1.00 15.45 N ATOM 835 CA ILE A 51 5.462 -8.477 6.203 1.00 64.14 C ATOM 836 C ILE A 51 5.109 -6.995 6.230 1.00 25.25 C ATOM 837 O ILE A 51 4.070 -6.596 5.733 1.00 43.43 O ATOM 838 CB ILE A 51 5.408 -8.997 4.731 1.00 2.21 C ATOM 839 CG1 ILE A 51 4.683 -10.356 4.629 1.00 24.22 C ATOM 840 CG2 ILE A 51 6.835 -9.128 4.198 1.00 73.33 C ATOM 841 CD1 ILE A 51 4.298 -10.746 3.223 1.00 72.31 C ATOM 0 H ILE A 51 3.602 -9.176 6.933 1.00 15.45 H new ATOM 0 HA ILE A 51 6.480 -8.618 6.566 1.00 64.14 H new ATOM 0 HB ILE A 51 4.844 -8.280 4.134 1.00 2.21 H new ATOM 0 HG12 ILE A 51 5.326 -11.131 5.046 1.00 24.22 H new ATOM 0 HG13 ILE A 51 3.784 -10.323 5.244 1.00 24.22 H new ATOM 0 HG21 ILE A 51 6.808 -9.491 3.170 1.00 73.33 H new ATOM 0 HG22 ILE A 51 7.325 -8.155 4.226 1.00 73.33 H new ATOM 0 HG23 ILE A 51 7.391 -9.832 4.817 1.00 73.33 H new ATOM 0 HD11 ILE A 51 3.794 -11.712 3.239 1.00 72.31 H new ATOM 0 HD12 ILE A 51 3.628 -9.994 2.807 1.00 72.31 H new ATOM 0 HD13 ILE A 51 5.194 -10.814 2.606 1.00 72.31 H new ATOM 853 N GLU A 52 6.019 -6.179 6.740 1.00 61.33 N ATOM 854 CA GLU A 52 5.721 -4.771 7.014 1.00 24.51 C ATOM 855 C GLU A 52 6.010 -3.918 5.776 1.00 55.35 C ATOM 856 O GLU A 52 7.152 -3.741 5.398 1.00 53.33 O ATOM 857 CB GLU A 52 6.573 -4.322 8.201 1.00 64.35 C ATOM 858 CG GLU A 52 6.269 -2.935 8.732 1.00 74.54 C ATOM 859 CD GLU A 52 7.099 -2.633 9.960 1.00 60.50 C ATOM 860 OE1 GLU A 52 6.919 -3.336 10.976 1.00 31.55 O ATOM 861 OE2 GLU A 52 7.942 -1.718 9.914 1.00 11.21 O ATOM 0 H GLU A 52 6.971 -6.462 6.974 1.00 61.33 H new ATOM 0 HA GLU A 52 4.666 -4.649 7.258 1.00 24.51 H new ATOM 0 HB2 GLU A 52 6.443 -5.039 9.011 1.00 64.35 H new ATOM 0 HB3 GLU A 52 7.622 -4.358 7.908 1.00 64.35 H new ATOM 0 HG2 GLU A 52 6.472 -2.193 7.960 1.00 74.54 H new ATOM 0 HG3 GLU A 52 5.210 -2.859 8.977 1.00 74.54 H new ATOM 868 N PHE A 53 4.933 -3.466 5.121 1.00 24.43 N ATOM 869 CA PHE A 53 5.016 -2.724 3.851 1.00 73.23 C ATOM 870 C PHE A 53 4.541 -1.294 3.997 1.00 40.24 C ATOM 871 O PHE A 53 3.605 -1.035 4.739 1.00 74.33 O ATOM 872 CB PHE A 53 4.203 -3.444 2.769 1.00 23.45 C ATOM 873 CG PHE A 53 4.996 -4.471 1.997 1.00 4.13 C ATOM 874 CD1 PHE A 53 5.871 -5.346 2.630 1.00 2.14 C ATOM 875 CD2 PHE A 53 4.853 -4.557 0.633 1.00 44.41 C ATOM 876 CE1 PHE A 53 6.591 -6.262 1.908 1.00 11.11 C ATOM 877 CE2 PHE A 53 5.568 -5.478 -0.091 1.00 50.45 C ATOM 878 CZ PHE A 53 6.433 -6.330 0.546 1.00 63.54 C ATOM 0 H PHE A 53 3.979 -3.603 5.454 1.00 24.43 H new ATOM 0 HA PHE A 53 6.065 -2.691 3.557 1.00 73.23 H new ATOM 0 HB2 PHE A 53 3.348 -3.933 3.235 1.00 23.45 H new ATOM 0 HB3 PHE A 53 3.807 -2.705 2.073 1.00 23.45 H new ATOM 0 HD1 PHE A 53 5.985 -5.304 3.703 1.00 2.14 H new ATOM 0 HD2 PHE A 53 4.170 -3.892 0.125 1.00 44.41 H new ATOM 0 HE1 PHE A 53 7.279 -6.927 2.408 1.00 11.11 H new ATOM 0 HE2 PHE A 53 5.449 -5.532 -1.163 1.00 50.45 H new ATOM 0 HZ PHE A 53 6.992 -7.057 -0.025 1.00 63.54 H new ATOM 888 N GLU A 54 5.183 -0.364 3.296 1.00 31.02 N ATOM 889 CA GLU A 54 4.682 1.006 3.247 1.00 45.45 C ATOM 890 C GLU A 54 3.577 1.174 2.188 1.00 52.33 C ATOM 891 O GLU A 54 2.692 2.017 2.352 1.00 22.11 O ATOM 892 CB GLU A 54 5.806 2.052 3.082 1.00 13.35 C ATOM 893 CG GLU A 54 6.512 2.079 1.727 1.00 72.12 C ATOM 894 CD GLU A 54 7.479 3.253 1.587 1.00 70.12 C ATOM 895 OE1 GLU A 54 7.013 4.392 1.321 1.00 15.12 O ATOM 896 OE2 GLU A 54 8.703 3.048 1.752 1.00 54.21 O ATOM 0 H GLU A 54 6.037 -0.529 2.763 1.00 31.02 H new ATOM 0 HA GLU A 54 4.230 1.201 4.220 1.00 45.45 H new ATOM 0 HB2 GLU A 54 5.384 3.040 3.268 1.00 13.35 H new ATOM 0 HB3 GLU A 54 6.554 1.875 3.854 1.00 13.35 H new ATOM 0 HG2 GLU A 54 7.058 1.146 1.588 1.00 72.12 H new ATOM 0 HG3 GLU A 54 5.766 2.132 0.934 1.00 72.12 H new ATOM 903 N ASP A 55 3.602 0.364 1.123 1.00 55.14 N ATOM 904 CA ASP A 55 2.602 0.483 0.056 1.00 33.14 C ATOM 905 C ASP A 55 1.813 -0.817 -0.154 1.00 32.23 C ATOM 906 O ASP A 55 2.376 -1.903 -0.301 1.00 21.53 O ATOM 907 CB ASP A 55 3.235 0.960 -1.275 1.00 14.04 C ATOM 908 CG ASP A 55 4.640 0.429 -1.516 1.00 62.33 C ATOM 909 OD1 ASP A 55 4.797 -0.796 -1.674 1.00 23.15 O ATOM 910 OD2 ASP A 55 5.595 1.236 -1.523 1.00 34.14 O ATOM 0 H ASP A 55 4.294 -0.371 0.978 1.00 55.14 H new ATOM 0 HA ASP A 55 1.895 1.244 0.386 1.00 33.14 H new ATOM 0 HB2 ASP A 55 2.594 0.652 -2.101 1.00 14.04 H new ATOM 0 HB3 ASP A 55 3.263 2.050 -1.282 1.00 14.04 H new ATOM 915 N ALA A 56 0.484 -0.676 -0.108 1.00 72.31 N ATOM 916 CA ALA A 56 -0.471 -1.784 -0.300 1.00 23.34 C ATOM 917 C ALA A 56 -0.720 -2.151 -1.766 1.00 73.04 C ATOM 918 O ALA A 56 -0.773 -3.319 -2.109 1.00 33.12 O ATOM 919 CB ALA A 56 -1.801 -1.441 0.340 1.00 55.44 C ATOM 0 H ALA A 56 0.031 0.221 0.066 1.00 72.31 H new ATOM 0 HA ALA A 56 -0.010 -2.650 0.175 1.00 23.34 H new ATOM 0 HB1 ALA A 56 -2.499 -2.265 0.193 1.00 55.44 H new ATOM 0 HB2 ALA A 56 -1.658 -1.273 1.407 1.00 55.44 H new ATOM 0 HB3 ALA A 56 -2.204 -0.538 -0.119 1.00 55.44 H new ATOM 925 N ARG A 57 -0.924 -1.129 -2.606 1.00 31.45 N ATOM 926 CA ARG A 57 -1.431 -1.312 -3.975 1.00 51.11 C ATOM 927 C ARG A 57 -0.371 -1.861 -4.937 1.00 32.03 C ATOM 928 O ARG A 57 -0.706 -2.477 -5.949 1.00 73.21 O ATOM 929 CB ARG A 57 -2.033 0.004 -4.493 1.00 42.42 C ATOM 930 CG ARG A 57 -1.066 1.183 -4.456 1.00 3.11 C ATOM 931 CD ARG A 57 -1.763 2.504 -4.731 1.00 3.22 C ATOM 932 NE ARG A 57 -1.854 2.829 -6.156 1.00 21.23 N ATOM 933 CZ ARG A 57 -1.827 4.086 -6.634 1.00 40.25 C ATOM 934 NH1 ARG A 57 -1.725 5.120 -5.796 1.00 13.22 N ATOM 935 NH2 ARG A 57 -1.904 4.317 -7.942 1.00 12.51 N ATOM 0 H ARG A 57 -0.744 -0.156 -2.359 1.00 31.45 H new ATOM 0 HA ARG A 57 -2.214 -2.069 -3.934 1.00 51.11 H new ATOM 0 HB2 ARG A 57 -2.373 -0.142 -5.518 1.00 42.42 H new ATOM 0 HB3 ARG A 57 -2.912 0.249 -3.897 1.00 42.42 H new ATOM 0 HG2 ARG A 57 -0.584 1.225 -3.479 1.00 3.11 H new ATOM 0 HG3 ARG A 57 -0.279 1.029 -5.194 1.00 3.11 H new ATOM 0 HD2 ARG A 57 -2.767 2.471 -4.309 1.00 3.22 H new ATOM 0 HD3 ARG A 57 -1.227 3.302 -4.217 1.00 3.22 H new ATOM 0 HE ARG A 57 -1.943 2.061 -6.822 1.00 21.23 H new ATOM 0 HH11 ARG A 57 -1.667 4.958 -4.791 1.00 13.22 H new ATOM 0 HH12 ARG A 57 -1.705 6.072 -6.161 1.00 13.22 H new ATOM 0 HH21 ARG A 57 -1.985 3.537 -8.594 1.00 12.51 H new ATOM 0 HH22 ARG A 57 -1.883 5.274 -8.293 1.00 12.51 H new ATOM 949 N ASP A 58 0.893 -1.619 -4.622 1.00 30.01 N ATOM 950 CA ASP A 58 2.008 -2.158 -5.390 1.00 64.15 C ATOM 951 C ASP A 58 2.263 -3.627 -4.984 1.00 54.30 C ATOM 952 O ASP A 58 2.590 -4.478 -5.815 1.00 14.12 O ATOM 953 CB ASP A 58 3.247 -1.266 -5.185 1.00 71.14 C ATOM 954 CG ASP A 58 3.009 0.180 -5.635 1.00 4.31 C ATOM 955 OD1 ASP A 58 2.414 0.966 -4.857 1.00 70.11 O ATOM 956 OD2 ASP A 58 3.399 0.530 -6.774 1.00 13.40 O ATOM 0 H ASP A 58 1.175 -1.044 -3.828 1.00 30.01 H new ATOM 0 HA ASP A 58 1.772 -2.156 -6.454 1.00 64.15 H new ATOM 0 HB2 ASP A 58 3.526 -1.274 -4.131 1.00 71.14 H new ATOM 0 HB3 ASP A 58 4.087 -1.683 -5.741 1.00 71.14 H new ATOM 961 N ALA A 59 2.044 -3.903 -3.692 1.00 14.21 N ATOM 962 CA ALA A 59 2.067 -5.258 -3.104 1.00 20.52 C ATOM 963 C ALA A 59 0.899 -6.139 -3.602 1.00 33.15 C ATOM 964 O ALA A 59 0.938 -7.381 -3.511 1.00 33.23 O ATOM 965 CB ALA A 59 2.033 -5.160 -1.587 1.00 31.45 C ATOM 0 H ALA A 59 1.841 -3.176 -3.006 1.00 14.21 H new ATOM 0 HA ALA A 59 2.991 -5.737 -3.427 1.00 20.52 H new ATOM 0 HB1 ALA A 59 2.050 -6.162 -1.157 1.00 31.45 H new ATOM 0 HB2 ALA A 59 2.902 -4.601 -1.239 1.00 31.45 H new ATOM 0 HB3 ALA A 59 1.123 -4.647 -1.276 1.00 31.45 H new ATOM 971 N ALA A 60 -0.174 -5.468 -4.033 1.00 32.05 N ATOM 972 CA ALA A 60 -1.432 -6.099 -4.446 1.00 24.51 C ATOM 973 C ALA A 60 -1.292 -7.114 -5.593 1.00 14.23 C ATOM 974 O ALA A 60 -2.145 -7.976 -5.718 1.00 15.02 O ATOM 975 CB ALA A 60 -2.472 -5.042 -4.794 1.00 0.42 C ATOM 0 H ALA A 60 -0.193 -4.451 -4.106 1.00 32.05 H new ATOM 0 HA ALA A 60 -1.763 -6.677 -3.583 1.00 24.51 H new ATOM 0 HB1 ALA A 60 -3.398 -5.529 -5.098 1.00 0.42 H new ATOM 0 HB2 ALA A 60 -2.661 -4.416 -3.922 1.00 0.42 H new ATOM 0 HB3 ALA A 60 -2.102 -4.423 -5.612 1.00 0.42 H new ATOM 981 N ASP A 61 -0.257 -6.996 -6.441 1.00 51.10 N ATOM 982 CA ASP A 61 0.018 -8.013 -7.475 1.00 4.21 C ATOM 983 C ASP A 61 0.452 -9.341 -6.853 1.00 35.50 C ATOM 984 O ASP A 61 -0.059 -10.412 -7.223 1.00 51.00 O ATOM 985 CB ASP A 61 1.062 -7.509 -8.475 1.00 40.15 C ATOM 986 CG ASP A 61 0.411 -6.950 -9.720 1.00 10.25 C ATOM 987 OD1 ASP A 61 -0.069 -5.803 -9.681 1.00 24.53 O ATOM 988 OD2 ASP A 61 0.356 -7.670 -10.738 1.00 33.35 O ATOM 0 H ASP A 61 0.399 -6.215 -6.434 1.00 51.10 H new ATOM 0 HA ASP A 61 -0.911 -8.192 -8.016 1.00 4.21 H new ATOM 0 HB2 ASP A 61 1.675 -6.739 -8.006 1.00 40.15 H new ATOM 0 HB3 ASP A 61 1.730 -8.326 -8.748 1.00 40.15 H new ATOM 993 N ALA A 62 1.359 -9.255 -5.863 1.00 53.14 N ATOM 994 CA ALA A 62 1.777 -10.415 -5.074 1.00 53.25 C ATOM 995 C ALA A 62 0.600 -10.999 -4.305 1.00 53.30 C ATOM 996 O ALA A 62 0.394 -12.218 -4.310 1.00 13.11 O ATOM 997 CB ALA A 62 2.887 -10.029 -4.112 1.00 71.43 C ATOM 0 H ALA A 62 1.816 -8.384 -5.593 1.00 53.14 H new ATOM 0 HA ALA A 62 2.152 -11.174 -5.760 1.00 53.25 H new ATOM 0 HB1 ALA A 62 3.187 -10.902 -3.533 1.00 71.43 H new ATOM 0 HB2 ALA A 62 3.743 -9.656 -4.675 1.00 71.43 H new ATOM 0 HB3 ALA A 62 2.529 -9.251 -3.437 1.00 71.43 H new ATOM 1003 N ILE A 63 -0.211 -10.122 -3.704 1.00 72.21 N ATOM 1004 CA ILE A 63 -1.354 -10.585 -2.935 1.00 71.24 C ATOM 1005 C ILE A 63 -2.429 -11.221 -3.850 1.00 72.34 C ATOM 1006 O ILE A 63 -3.074 -12.155 -3.431 1.00 40.52 O ATOM 1007 CB ILE A 63 -1.915 -9.470 -1.968 1.00 11.44 C ATOM 1008 CG1 ILE A 63 -2.272 -10.075 -0.584 1.00 60.13 C ATOM 1009 CG2 ILE A 63 -3.119 -8.718 -2.549 1.00 1.03 C ATOM 1010 CD1 ILE A 63 -3.508 -10.962 -0.551 1.00 54.41 C ATOM 0 H ILE A 63 -0.095 -9.109 -3.737 1.00 72.21 H new ATOM 0 HA ILE A 63 -1.012 -11.383 -2.275 1.00 71.24 H new ATOM 0 HB ILE A 63 -1.117 -8.737 -1.848 1.00 11.44 H new ATOM 0 HG12 ILE A 63 -1.420 -10.657 -0.232 1.00 60.13 H new ATOM 0 HG13 ILE A 63 -2.415 -9.258 0.123 1.00 60.13 H new ATOM 0 HG21 ILE A 63 -3.457 -7.966 -1.836 1.00 1.03 H new ATOM 0 HG22 ILE A 63 -2.829 -8.231 -3.480 1.00 1.03 H new ATOM 0 HG23 ILE A 63 -3.928 -9.422 -2.744 1.00 1.03 H new ATOM 0 HD11 ILE A 63 -3.664 -11.331 0.463 1.00 54.41 H new ATOM 0 HD12 ILE A 63 -4.378 -10.386 -0.866 1.00 54.41 H new ATOM 0 HD13 ILE A 63 -3.368 -11.806 -1.226 1.00 54.41 H new ATOM 1022 N LYS A 64 -2.593 -10.751 -5.105 1.00 73.31 N ATOM 1023 CA LYS A 64 -3.575 -11.371 -6.010 1.00 25.43 C ATOM 1024 C LYS A 64 -3.048 -12.666 -6.644 1.00 24.23 C ATOM 1025 O LYS A 64 -3.841 -13.530 -7.014 1.00 1.25 O ATOM 1026 CB LYS A 64 -4.147 -10.382 -7.061 1.00 54.42 C ATOM 1027 CG LYS A 64 -3.161 -9.826 -8.090 1.00 74.45 C ATOM 1028 CD LYS A 64 -2.992 -10.716 -9.325 1.00 42.02 C ATOM 1029 CE LYS A 64 -1.991 -10.124 -10.295 1.00 32.14 C ATOM 1030 NZ LYS A 64 -2.490 -8.873 -10.913 1.00 75.02 N ATOM 0 H LYS A 64 -2.074 -9.968 -5.503 1.00 73.31 H new ATOM 0 HA LYS A 64 -4.421 -11.654 -5.383 1.00 25.43 H new ATOM 0 HB2 LYS A 64 -4.952 -10.884 -7.598 1.00 54.42 H new ATOM 0 HB3 LYS A 64 -4.594 -9.542 -6.530 1.00 54.42 H new ATOM 0 HG2 LYS A 64 -3.499 -8.840 -8.408 1.00 74.45 H new ATOM 0 HG3 LYS A 64 -2.190 -9.692 -7.614 1.00 74.45 H new ATOM 0 HD2 LYS A 64 -2.662 -11.709 -9.019 1.00 42.02 H new ATOM 0 HD3 LYS A 64 -3.954 -10.839 -9.822 1.00 42.02 H new ATOM 0 HE2 LYS A 64 -1.056 -9.922 -9.773 1.00 32.14 H new ATOM 0 HE3 LYS A 64 -1.770 -10.851 -11.076 1.00 32.14 H new ATOM 0 HZ1 LYS A 64 -2.569 -9.002 -11.942 1.00 75.02 H new ATOM 0 HZ2 LYS A 64 -3.425 -8.641 -10.520 1.00 75.02 H new ATOM 0 HZ3 LYS A 64 -1.827 -8.098 -10.711 1.00 75.02 H new ATOM 1044 N GLU A 65 -1.718 -12.815 -6.783 1.00 23.44 N ATOM 1045 CA GLU A 65 -1.183 -14.081 -7.295 1.00 21.03 C ATOM 1046 C GLU A 65 -1.085 -15.140 -6.185 1.00 60.25 C ATOM 1047 O GLU A 65 -1.012 -16.337 -6.475 1.00 32.32 O ATOM 1048 CB GLU A 65 0.162 -13.922 -8.007 1.00 73.53 C ATOM 1049 CG GLU A 65 1.299 -13.476 -7.123 1.00 3.33 C ATOM 1050 CD GLU A 65 2.622 -13.501 -7.834 1.00 10.31 C ATOM 1051 OE1 GLU A 65 2.788 -12.738 -8.798 1.00 42.22 O ATOM 1052 OE2 GLU A 65 3.490 -14.321 -7.452 1.00 73.11 O ATOM 0 H GLU A 65 -1.022 -12.104 -6.558 1.00 23.44 H new ATOM 0 HA GLU A 65 -1.897 -14.425 -8.043 1.00 21.03 H new ATOM 0 HB2 GLU A 65 0.429 -14.874 -8.465 1.00 73.53 H new ATOM 0 HB3 GLU A 65 0.045 -13.201 -8.816 1.00 73.53 H new ATOM 0 HG2 GLU A 65 1.102 -12.466 -6.764 1.00 3.33 H new ATOM 0 HG3 GLU A 65 1.349 -14.122 -6.246 1.00 3.33 H new ATOM 1059 N LYS A 66 -1.064 -14.704 -4.915 1.00 51.43 N ATOM 1060 CA LYS A 66 -1.137 -15.661 -3.805 1.00 45.15 C ATOM 1061 C LYS A 66 -2.593 -15.755 -3.227 1.00 31.52 C ATOM 1062 O LYS A 66 -2.846 -16.516 -2.296 1.00 61.04 O ATOM 1063 CB LYS A 66 -0.115 -15.306 -2.702 1.00 70.41 C ATOM 1064 CG LYS A 66 1.318 -15.031 -3.188 1.00 13.22 C ATOM 1065 CD LYS A 66 1.958 -16.228 -3.881 1.00 43.41 C ATOM 1066 CE LYS A 66 3.312 -15.870 -4.484 1.00 73.11 C ATOM 1067 NZ LYS A 66 3.827 -16.951 -5.368 1.00 72.35 N ATOM 0 H LYS A 66 -0.999 -13.724 -4.638 1.00 51.43 H new ATOM 0 HA LYS A 66 -0.878 -16.645 -4.195 1.00 45.15 H new ATOM 0 HB2 LYS A 66 -0.474 -14.426 -2.169 1.00 70.41 H new ATOM 0 HB3 LYS A 66 -0.085 -16.124 -1.983 1.00 70.41 H new ATOM 0 HG2 LYS A 66 1.305 -14.185 -3.876 1.00 13.22 H new ATOM 0 HG3 LYS A 66 1.934 -14.740 -2.337 1.00 13.22 H new ATOM 0 HD2 LYS A 66 2.081 -17.040 -3.165 1.00 43.41 H new ATOM 0 HD3 LYS A 66 1.295 -16.592 -4.665 1.00 43.41 H new ATOM 0 HE2 LYS A 66 3.223 -14.946 -5.055 1.00 73.11 H new ATOM 0 HE3 LYS A 66 4.028 -15.683 -3.684 1.00 73.11 H new ATOM 0 HZ1 LYS A 66 4.749 -16.670 -5.759 1.00 72.35 H new ATOM 0 HZ2 LYS A 66 3.936 -17.827 -4.818 1.00 72.35 H new ATOM 0 HZ3 LYS A 66 3.156 -17.112 -6.146 1.00 72.35 H new ATOM 1081 N ASP A 67 -3.514 -14.972 -3.818 1.00 61.34 N ATOM 1082 CA ASP A 67 -4.974 -14.933 -3.482 1.00 31.22 C ATOM 1083 C ASP A 67 -5.688 -16.218 -3.931 1.00 61.35 C ATOM 1084 O ASP A 67 -5.233 -16.875 -4.874 1.00 4.22 O ATOM 1085 CB ASP A 67 -5.646 -13.692 -4.089 1.00 42.13 C ATOM 1086 CG ASP A 67 -7.063 -13.448 -3.597 1.00 14.42 C ATOM 1087 OD1 ASP A 67 -7.253 -13.266 -2.374 1.00 3.44 O ATOM 1088 OD2 ASP A 67 -7.991 -13.483 -4.428 1.00 64.52 O ATOM 0 H ASP A 67 -3.269 -14.324 -4.567 1.00 61.34 H new ATOM 0 HA ASP A 67 -5.060 -14.868 -2.397 1.00 31.22 H new ATOM 0 HB2 ASP A 67 -5.039 -12.816 -3.862 1.00 42.13 H new ATOM 0 HB3 ASP A 67 -5.663 -13.796 -5.174 1.00 42.13 H new ATOM 1093 N GLY A 68 -6.814 -16.577 -3.286 1.00 61.04 N ATOM 1094 CA GLY A 68 -7.269 -17.950 -3.350 1.00 31.52 C ATOM 1095 C GLY A 68 -7.197 -18.634 -2.007 1.00 24.24 C ATOM 1096 O GLY A 68 -7.041 -19.849 -1.942 1.00 61.33 O ATOM 0 H GLY A 68 -7.399 -15.948 -2.736 1.00 61.04 H new ATOM 0 HA2 GLY A 68 -8.296 -17.975 -3.715 1.00 31.52 H new ATOM 0 HA3 GLY A 68 -6.662 -18.500 -4.069 1.00 31.52 H new ATOM 1100 N CYS A 69 -7.256 -17.816 -0.942 1.00 31.43 N ATOM 1101 CA CYS A 69 -7.028 -18.267 0.432 1.00 14.50 C ATOM 1102 C CYS A 69 -7.979 -19.386 0.825 1.00 74.51 C ATOM 1103 O CYS A 69 -9.199 -19.299 0.635 1.00 12.14 O ATOM 1104 CB CYS A 69 -7.231 -17.064 1.370 1.00 1.02 C ATOM 1105 SG CYS A 69 -7.366 -17.473 3.133 1.00 65.44 S ATOM 0 H CYS A 69 -7.464 -16.820 -1.016 1.00 31.43 H new ATOM 0 HA CYS A 69 -6.014 -18.660 0.510 1.00 14.50 H new ATOM 0 HB2 CYS A 69 -6.397 -16.375 1.236 1.00 1.02 H new ATOM 0 HB3 CYS A 69 -8.134 -16.535 1.066 1.00 1.02 H new ATOM 0 HG CYS A 69 -7.595 -16.389 3.814 1.00 65.44 H new ATOM 1111 N ASP A 70 -7.385 -20.433 1.397 1.00 51.15 N ATOM 1112 CA ASP A 70 -8.093 -21.670 1.663 1.00 33.33 C ATOM 1113 C ASP A 70 -7.793 -22.257 3.043 1.00 21.22 C ATOM 1114 O ASP A 70 -6.653 -22.172 3.554 1.00 64.11 O ATOM 1115 CB ASP A 70 -7.790 -22.671 0.558 1.00 72.42 C ATOM 1116 CG ASP A 70 -9.058 -23.244 -0.036 1.00 12.42 C ATOM 1117 OD1 ASP A 70 -9.840 -23.852 0.724 1.00 55.11 O ATOM 1118 OD2 ASP A 70 -9.262 -23.123 -1.260 1.00 53.34 O ATOM 0 H ASP A 70 -6.406 -20.441 1.685 1.00 51.15 H new ATOM 0 HA ASP A 70 -9.159 -21.443 1.672 1.00 33.33 H new ATOM 0 HB2 ASP A 70 -7.208 -22.185 -0.225 1.00 72.42 H new ATOM 0 HB3 ASP A 70 -7.176 -23.479 0.956 1.00 72.42 H new ATOM 1123 N PHE A 71 -8.838 -22.896 3.587 1.00 4.00 N ATOM 1124 CA PHE A 71 -8.901 -23.451 4.941 1.00 31.15 C ATOM 1125 C PHE A 71 -9.712 -24.772 4.930 1.00 11.13 C ATOM 1126 O PHE A 71 -10.585 -24.930 4.068 1.00 71.54 O ATOM 1127 CB PHE A 71 -9.493 -22.448 5.948 1.00 11.00 C ATOM 1128 CG PHE A 71 -9.120 -22.758 7.381 1.00 0.34 C ATOM 1129 CD1 PHE A 71 -7.865 -22.417 7.870 1.00 45.01 C ATOM 1130 CD2 PHE A 71 -10.007 -23.410 8.229 1.00 15.14 C ATOM 1131 CE1 PHE A 71 -7.505 -22.712 9.172 1.00 25.55 C ATOM 1132 CE2 PHE A 71 -9.649 -23.709 9.531 1.00 74.24 C ATOM 1133 CZ PHE A 71 -8.398 -23.359 10.001 1.00 54.55 C ATOM 0 H PHE A 71 -9.703 -23.046 3.067 1.00 4.00 H new ATOM 0 HA PHE A 71 -7.883 -23.661 5.268 1.00 31.15 H new ATOM 0 HB2 PHE A 71 -9.149 -21.445 5.698 1.00 11.00 H new ATOM 0 HB3 PHE A 71 -10.579 -22.445 5.854 1.00 11.00 H new ATOM 0 HD1 PHE A 71 -7.161 -21.914 7.224 1.00 45.01 H new ATOM 0 HD2 PHE A 71 -10.986 -23.686 7.867 1.00 15.14 H new ATOM 0 HE1 PHE A 71 -6.527 -22.437 9.539 1.00 25.55 H new ATOM 0 HE2 PHE A 71 -10.347 -24.216 10.180 1.00 74.24 H new ATOM 0 HZ PHE A 71 -8.119 -23.592 11.018 1.00 54.55 H new ATOM 1143 N GLU A 72 -9.349 -25.735 5.826 1.00 60.32 N ATOM 1144 CA GLU A 72 -10.105 -27.005 6.042 1.00 34.44 C ATOM 1145 C GLU A 72 -9.879 -28.051 4.926 1.00 42.32 C ATOM 1146 O GLU A 72 -10.750 -28.345 4.101 1.00 62.40 O ATOM 1147 CB GLU A 72 -11.613 -26.746 6.280 1.00 34.41 C ATOM 1148 CG GLU A 72 -12.350 -27.906 6.953 1.00 50.24 C ATOM 1149 CD GLU A 72 -13.856 -27.730 6.962 1.00 35.22 C ATOM 1150 OE1 GLU A 72 -14.348 -26.801 7.636 1.00 20.00 O ATOM 1151 OE2 GLU A 72 -14.548 -28.541 6.305 1.00 2.11 O ATOM 0 H GLU A 72 -8.523 -25.652 6.419 1.00 60.32 H new ATOM 0 HA GLU A 72 -9.694 -27.441 6.953 1.00 34.44 H new ATOM 0 HB2 GLU A 72 -11.724 -25.854 6.896 1.00 34.41 H new ATOM 0 HB3 GLU A 72 -12.089 -26.534 5.323 1.00 34.41 H new ATOM 0 HG2 GLU A 72 -12.102 -28.834 6.438 1.00 50.24 H new ATOM 0 HG3 GLU A 72 -11.996 -28.007 7.979 1.00 50.24 H new ATOM 1158 N GLY A 73 -8.631 -28.530 4.882 1.00 62.21 N ATOM 1159 CA GLY A 73 -8.200 -29.565 3.939 1.00 52.30 C ATOM 1160 C GLY A 73 -7.501 -29.007 2.713 1.00 70.02 C ATOM 1161 O GLY A 73 -6.858 -29.749 1.968 1.00 30.01 O ATOM 0 H GLY A 73 -7.889 -28.208 5.503 1.00 62.21 H new ATOM 0 HA2 GLY A 73 -7.528 -30.255 4.450 1.00 52.30 H new ATOM 0 HA3 GLY A 73 -9.069 -30.142 3.622 1.00 52.30 H new ATOM 1165 N ASN A 74 -7.586 -27.701 2.539 1.00 44.13 N ATOM 1166 CA ASN A 74 -6.705 -26.974 1.644 1.00 12.30 C ATOM 1167 C ASN A 74 -5.947 -25.967 2.494 1.00 64.41 C ATOM 1168 O ASN A 74 -6.558 -25.208 3.237 1.00 64.15 O ATOM 1169 CB ASN A 74 -7.496 -26.239 0.558 1.00 33.14 C ATOM 1170 CG ASN A 74 -8.039 -27.114 -0.558 1.00 43.33 C ATOM 1171 OD1 ASN A 74 -8.201 -28.324 -0.423 1.00 23.20 O ATOM 1172 ND2 ASN A 74 -8.364 -26.473 -1.665 1.00 2.11 N ATOM 0 H ASN A 74 -8.270 -27.113 3.016 1.00 44.13 H new ATOM 0 HA ASN A 74 -6.030 -27.666 1.140 1.00 12.30 H new ATOM 0 HB2 ASN A 74 -8.331 -25.720 1.029 1.00 33.14 H new ATOM 0 HB3 ASN A 74 -6.854 -25.476 0.118 1.00 33.14 H new ATOM 0 HD21 ASN A 74 -8.767 -26.984 -2.451 1.00 2.11 H new ATOM 0 HD22 ASN A 74 -8.212 -25.467 -1.735 1.00 2.11 H new ATOM 1179 N LYS A 75 -4.632 -26.042 2.479 1.00 3.23 N ATOM 1180 CA LYS A 75 -3.795 -25.108 3.231 1.00 23.14 C ATOM 1181 C LYS A 75 -3.346 -23.941 2.351 1.00 4.01 C ATOM 1182 O LYS A 75 -2.455 -24.148 1.530 1.00 73.15 O ATOM 1183 CB LYS A 75 -2.564 -25.849 3.796 1.00 71.34 C ATOM 1184 CG LYS A 75 -2.721 -26.443 5.200 1.00 14.12 C ATOM 1185 CD LYS A 75 -3.573 -27.717 5.238 1.00 23.21 C ATOM 1186 CE LYS A 75 -4.988 -27.459 5.750 1.00 33.24 C ATOM 1187 NZ LYS A 75 -4.990 -26.943 7.144 1.00 51.31 N ATOM 0 H LYS A 75 -4.110 -26.743 1.953 1.00 3.23 H new ATOM 0 HA LYS A 75 -4.385 -24.704 4.054 1.00 23.14 H new ATOM 0 HB2 LYS A 75 -2.304 -26.655 3.110 1.00 71.34 H new ATOM 0 HB3 LYS A 75 -1.722 -25.156 3.809 1.00 71.34 H new ATOM 0 HG2 LYS A 75 -1.733 -26.665 5.604 1.00 14.12 H new ATOM 0 HG3 LYS A 75 -3.172 -25.695 5.853 1.00 14.12 H new ATOM 0 HD2 LYS A 75 -3.625 -28.146 4.237 1.00 23.21 H new ATOM 0 HD3 LYS A 75 -3.088 -28.456 5.876 1.00 23.21 H new ATOM 0 HE2 LYS A 75 -5.485 -26.741 5.097 1.00 33.24 H new ATOM 0 HE3 LYS A 75 -5.564 -28.383 5.705 1.00 33.24 H new ATOM 0 HZ1 LYS A 75 -5.897 -27.173 7.598 1.00 51.31 H new ATOM 0 HZ2 LYS A 75 -4.214 -27.383 7.678 1.00 51.31 H new ATOM 0 HZ3 LYS A 75 -4.861 -25.911 7.132 1.00 51.31 H new ATOM 1201 N LEU A 76 -3.926 -22.718 2.510 1.00 11.43 N ATOM 1202 CA LEU A 76 -3.485 -21.565 1.666 1.00 21.24 C ATOM 1203 C LEU A 76 -3.950 -20.168 2.157 1.00 54.32 C ATOM 1204 O LEU A 76 -4.626 -19.498 1.415 1.00 62.15 O ATOM 1205 CB LEU A 76 -4.008 -21.778 0.219 1.00 51.11 C ATOM 1206 CG LEU A 76 -2.951 -22.068 -0.858 1.00 21.34 C ATOM 1207 CD1 LEU A 76 -3.513 -23.001 -1.925 1.00 64.52 C ATOM 1208 CD2 LEU A 76 -2.473 -20.778 -1.511 1.00 74.42 C ATOM 0 H LEU A 76 -4.665 -22.507 3.181 1.00 11.43 H new ATOM 0 HA LEU A 76 -2.397 -21.556 1.725 1.00 21.24 H new ATOM 0 HB2 LEU A 76 -4.718 -22.605 0.231 1.00 51.11 H new ATOM 0 HB3 LEU A 76 -4.562 -20.887 -0.078 1.00 51.11 H new ATOM 0 HG LEU A 76 -2.104 -22.551 -0.370 1.00 21.34 H new ATOM 0 HD11 LEU A 76 -2.749 -23.194 -2.678 1.00 64.52 H new ATOM 0 HD12 LEU A 76 -3.814 -23.942 -1.464 1.00 64.52 H new ATOM 0 HD13 LEU A 76 -4.378 -22.535 -2.397 1.00 64.52 H new ATOM 0 HD21 LEU A 76 -1.725 -21.010 -2.270 1.00 74.42 H new ATOM 0 HD22 LEU A 76 -3.318 -20.271 -1.977 1.00 74.42 H new ATOM 0 HD23 LEU A 76 -2.033 -20.129 -0.754 1.00 74.42 H new ATOM 1220 N ARG A 77 -3.532 -19.653 3.325 1.00 62.10 N ATOM 1221 CA ARG A 77 -4.081 -18.346 3.779 1.00 44.24 C ATOM 1222 C ARG A 77 -3.158 -17.176 3.384 1.00 45.20 C ATOM 1223 O ARG A 77 -2.030 -17.073 3.813 1.00 24.45 O ATOM 1224 CB ARG A 77 -4.391 -18.389 5.311 1.00 40.03 C ATOM 1225 CG ARG A 77 -4.235 -17.067 6.100 1.00 33.41 C ATOM 1226 CD ARG A 77 -5.270 -15.989 5.739 1.00 63.04 C ATOM 1227 NE ARG A 77 -6.336 -15.853 6.752 1.00 55.40 N ATOM 1228 CZ ARG A 77 -6.338 -14.959 7.761 1.00 63.54 C ATOM 1229 NH1 ARG A 77 -5.318 -14.116 7.918 1.00 62.04 N ATOM 1230 NH2 ARG A 77 -7.381 -14.890 8.587 1.00 40.44 N ATOM 0 H ARG A 77 -2.852 -20.087 3.950 1.00 62.10 H new ATOM 0 HA ARG A 77 -5.025 -18.166 3.265 1.00 44.24 H new ATOM 0 HB2 ARG A 77 -5.415 -18.740 5.439 1.00 40.03 H new ATOM 0 HB3 ARG A 77 -3.739 -19.134 5.767 1.00 40.03 H new ATOM 0 HG2 ARG A 77 -4.309 -17.283 7.166 1.00 33.41 H new ATOM 0 HG3 ARG A 77 -3.236 -16.668 5.924 1.00 33.41 H new ATOM 0 HD2 ARG A 77 -4.763 -15.031 5.621 1.00 63.04 H new ATOM 0 HD3 ARG A 77 -5.720 -16.232 4.776 1.00 63.04 H new ATOM 0 HE ARG A 77 -7.133 -16.485 6.683 1.00 55.40 H new ATOM 0 HH11 ARG A 77 -4.529 -14.144 7.272 1.00 62.04 H new ATOM 0 HH12 ARG A 77 -5.326 -13.442 8.684 1.00 62.04 H new ATOM 0 HH21 ARG A 77 -8.178 -15.513 8.456 1.00 40.44 H new ATOM 0 HH22 ARG A 77 -7.383 -14.214 9.351 1.00 40.44 H new ATOM 1244 N VAL A 78 -3.636 -16.317 2.496 1.00 74.23 N ATOM 1245 CA VAL A 78 -2.907 -15.097 2.130 1.00 44.35 C ATOM 1246 C VAL A 78 -3.859 -13.896 2.187 1.00 61.32 C ATOM 1247 O VAL A 78 -4.878 -13.901 1.492 1.00 65.11 O ATOM 1248 CB VAL A 78 -2.272 -15.219 0.709 1.00 53.34 C ATOM 1249 CG1 VAL A 78 -1.580 -13.926 0.290 1.00 24.14 C ATOM 1250 CG2 VAL A 78 -1.264 -16.362 0.667 1.00 74.23 C ATOM 0 H VAL A 78 -4.526 -16.436 2.011 1.00 74.23 H new ATOM 0 HA VAL A 78 -2.095 -14.953 2.843 1.00 44.35 H new ATOM 0 HB VAL A 78 -3.085 -15.421 0.011 1.00 53.34 H new ATOM 0 HG11 VAL A 78 -1.150 -14.049 -0.704 1.00 24.14 H new ATOM 0 HG12 VAL A 78 -2.306 -13.114 0.273 1.00 24.14 H new ATOM 0 HG13 VAL A 78 -0.788 -13.690 1.001 1.00 24.14 H new ATOM 0 HG21 VAL A 78 -0.833 -16.430 -0.332 1.00 74.23 H new ATOM 0 HG22 VAL A 78 -0.472 -16.175 1.392 1.00 74.23 H new ATOM 0 HG23 VAL A 78 -1.766 -17.299 0.910 1.00 74.23 H new ATOM 1260 N GLU A 79 -3.558 -12.883 3.020 1.00 74.01 N ATOM 1261 CA GLU A 79 -4.355 -11.651 3.008 1.00 40.04 C ATOM 1262 C GLU A 79 -3.555 -10.398 3.375 1.00 12.34 C ATOM 1263 O GLU A 79 -2.627 -10.421 4.224 1.00 73.25 O ATOM 1264 CB GLU A 79 -5.627 -11.781 3.889 1.00 50.43 C ATOM 1265 CG GLU A 79 -5.411 -11.950 5.385 1.00 33.42 C ATOM 1266 CD GLU A 79 -5.495 -10.645 6.160 1.00 42.20 C ATOM 1267 OE1 GLU A 79 -6.563 -9.998 6.125 1.00 33.25 O ATOM 1268 OE2 GLU A 79 -4.509 -10.280 6.824 1.00 13.12 O ATOM 0 H GLU A 79 -2.790 -12.893 3.691 1.00 74.01 H new ATOM 0 HA GLU A 79 -4.668 -11.518 1.972 1.00 40.04 H new ATOM 0 HB2 GLU A 79 -6.241 -10.894 3.733 1.00 50.43 H new ATOM 0 HB3 GLU A 79 -6.203 -12.634 3.530 1.00 50.43 H new ATOM 0 HG2 GLU A 79 -6.155 -12.644 5.776 1.00 33.42 H new ATOM 0 HG3 GLU A 79 -4.434 -12.402 5.554 1.00 33.42 H new ATOM 1275 N VAL A 80 -3.889 -9.317 2.674 1.00 45.32 N ATOM 1276 CA VAL A 80 -3.578 -7.984 3.141 1.00 42.42 C ATOM 1277 C VAL A 80 -4.734 -7.456 4.002 1.00 34.00 C ATOM 1278 O VAL A 80 -5.889 -7.449 3.565 1.00 42.31 O ATOM 1279 CB VAL A 80 -3.287 -6.953 2.008 1.00 2.32 C ATOM 1280 CG1 VAL A 80 -1.871 -7.092 1.496 1.00 52.31 C ATOM 1281 CG2 VAL A 80 -4.272 -7.040 0.845 1.00 72.35 C ATOM 0 H VAL A 80 -4.376 -9.347 1.779 1.00 45.32 H new ATOM 0 HA VAL A 80 -2.658 -8.082 3.717 1.00 42.42 H new ATOM 0 HB VAL A 80 -3.414 -5.970 2.462 1.00 2.32 H new ATOM 0 HG11 VAL A 80 -1.696 -6.361 0.707 1.00 52.31 H new ATOM 0 HG12 VAL A 80 -1.170 -6.919 2.313 1.00 52.31 H new ATOM 0 HG13 VAL A 80 -1.725 -8.096 1.099 1.00 52.31 H new ATOM 0 HG21 VAL A 80 -4.013 -6.296 0.092 1.00 72.35 H new ATOM 0 HG22 VAL A 80 -4.226 -8.035 0.403 1.00 72.35 H new ATOM 0 HG23 VAL A 80 -5.282 -6.851 1.209 1.00 72.35 H new ATOM 1291 N PRO A 81 -4.451 -6.992 5.236 1.00 72.20 N ATOM 1292 CA PRO A 81 -5.442 -6.283 6.066 1.00 21.34 C ATOM 1293 C PRO A 81 -5.520 -4.780 5.734 1.00 33.00 C ATOM 1294 O PRO A 81 -6.062 -3.979 6.498 1.00 13.13 O ATOM 1295 CB PRO A 81 -4.930 -6.527 7.487 1.00 30.23 C ATOM 1296 CG PRO A 81 -3.453 -6.703 7.353 1.00 71.12 C ATOM 1297 CD PRO A 81 -3.177 -7.189 5.952 1.00 10.01 C ATOM 0 HA PRO A 81 -6.460 -6.639 5.906 1.00 21.34 H new ATOM 0 HB2 PRO A 81 -5.168 -5.687 8.140 1.00 30.23 H new ATOM 0 HB3 PRO A 81 -5.393 -7.412 7.925 1.00 30.23 H new ATOM 0 HG2 PRO A 81 -2.937 -5.762 7.540 1.00 71.12 H new ATOM 0 HG3 PRO A 81 -3.085 -7.420 8.087 1.00 71.12 H new ATOM 0 HD2 PRO A 81 -2.369 -6.624 5.488 1.00 10.01 H new ATOM 0 HD3 PRO A 81 -2.877 -8.237 5.947 1.00 10.01 H new ATOM 1305 N PHE A 82 -4.982 -4.432 4.567 1.00 52.44 N ATOM 1306 CA PHE A 82 -5.000 -3.061 4.061 1.00 53.24 C ATOM 1307 C PHE A 82 -6.293 -2.788 3.302 1.00 15.14 C ATOM 1308 O PHE A 82 -6.756 -1.649 3.259 1.00 75.30 O ATOM 1309 CB PHE A 82 -3.822 -2.820 3.103 1.00 35.55 C ATOM 1310 CG PHE A 82 -2.451 -3.121 3.657 1.00 61.24 C ATOM 1311 CD1 PHE A 82 -2.078 -2.735 4.937 1.00 73.44 C ATOM 1312 CD2 PHE A 82 -1.524 -3.776 2.874 1.00 14.44 C ATOM 1313 CE1 PHE A 82 -0.817 -3.003 5.405 1.00 61.24 C ATOM 1314 CE2 PHE A 82 -0.259 -4.042 3.341 1.00 23.21 C ATOM 1315 CZ PHE A 82 0.095 -3.656 4.609 1.00 33.20 C ATOM 0 H PHE A 82 -4.520 -5.094 3.944 1.00 52.44 H new ATOM 0 HA PHE A 82 -4.923 -2.394 4.920 1.00 53.24 H new ATOM 0 HB2 PHE A 82 -3.974 -3.428 2.211 1.00 35.55 H new ATOM 0 HB3 PHE A 82 -3.844 -1.777 2.786 1.00 35.55 H new ATOM 0 HD1 PHE A 82 -2.786 -2.220 5.569 1.00 73.44 H new ATOM 0 HD2 PHE A 82 -1.797 -4.086 1.876 1.00 14.44 H new ATOM 0 HE1 PHE A 82 -0.539 -2.700 6.404 1.00 61.24 H new ATOM 0 HE2 PHE A 82 0.454 -4.553 2.712 1.00 23.21 H new ATOM 0 HZ PHE A 82 1.087 -3.864 4.981 1.00 33.20 H new ATOM 1325 N ASN A 83 -6.835 -3.864 2.693 1.00 41.14 N ATOM 1326 CA ASN A 83 -8.005 -3.814 1.785 1.00 65.30 C ATOM 1327 C ASN A 83 -7.678 -3.001 0.516 1.00 40.34 C ATOM 1328 O ASN A 83 -8.488 -2.198 0.051 1.00 11.43 O ATOM 1329 CB ASN A 83 -9.282 -3.285 2.494 1.00 63.13 C ATOM 1330 CG ASN A 83 -9.964 -4.311 3.412 1.00 32.42 C ATOM 1331 OD1 ASN A 83 -11.186 -4.319 3.535 1.00 51.20 O ATOM 1332 ND2 ASN A 83 -9.191 -5.164 4.080 1.00 74.11 N ATOM 0 H ASN A 83 -6.468 -4.807 2.819 1.00 41.14 H new ATOM 0 HA ASN A 83 -8.225 -4.838 1.483 1.00 65.30 H new ATOM 0 HB2 ASN A 83 -9.019 -2.406 3.082 1.00 63.13 H new ATOM 0 HB3 ASN A 83 -9.996 -2.960 1.737 1.00 63.13 H new ATOM 0 HD21 ASN A 83 -9.611 -5.845 4.712 1.00 74.11 H new ATOM 0 HD22 ASN A 83 -8.178 -5.136 3.960 1.00 74.11 H new