USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 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 Single : A 8 SER OG : rot -24:sc= 0.703 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 17 SER OG : rot -54:sc= 0.65 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.0079 F(o=-0.76,f=-0.0079) USER MOD Single : A 20 SER OG : rot 91:sc= 0.0691 USER MOD Single : A 21 SER OG : rot 180:sc= -0.554 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= 0.306 (180deg=0) USER MOD Single : A 31 TYR OH : rot -89:sc= 1.01 USER MOD Single : A 33 ASN : amide:sc= 0.389 K(o=0.39,f=-2!) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 1.02 (180deg=0.969) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.123 (180deg=-0.663) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.73 USER MOD Single : A 74 ASN : amide:sc= -0.075 K(o=-0.075,f=-2.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 1.921 -0.805 8.957 1.00 73.52 N ATOM 158 CA SER A 8 1.160 -1.530 7.952 1.00 14.33 C ATOM 159 C SER A 8 1.821 -2.889 7.653 1.00 62.10 C ATOM 160 O SER A 8 2.945 -2.936 7.172 1.00 42.03 O ATOM 161 CB SER A 8 1.023 -0.636 6.701 1.00 23.20 C ATOM 162 OG SER A 8 2.072 0.316 6.632 1.00 21.05 O ATOM 0 HA SER A 8 0.158 -1.757 8.316 1.00 14.33 H new ATOM 0 HB2 SER A 8 1.032 -1.257 5.805 1.00 23.20 H new ATOM 0 HB3 SER A 8 0.062 -0.121 6.722 1.00 23.20 H new ATOM 0 HG SER A 8 2.430 0.474 7.531 1.00 21.05 H new ATOM 168 N ARG A 9 1.090 -4.008 7.891 1.00 60.22 N ATOM 169 CA ARG A 9 1.688 -5.378 7.682 1.00 23.43 C ATOM 170 C ARG A 9 0.708 -6.341 6.953 1.00 31.22 C ATOM 171 O ARG A 9 -0.483 -6.119 7.019 1.00 60.13 O ATOM 172 CB ARG A 9 2.186 -6.063 9.004 1.00 42.54 C ATOM 173 CG ARG A 9 2.694 -5.095 10.083 1.00 61.41 C ATOM 174 CD ARG A 9 1.754 -5.001 11.297 1.00 42.23 C ATOM 175 NE ARG A 9 0.348 -4.831 10.909 1.00 63.41 N ATOM 176 CZ ARG A 9 -0.653 -4.554 11.753 1.00 10.03 C ATOM 177 NH1 ARG A 9 -0.431 -4.399 13.056 1.00 54.21 N ATOM 178 NH2 ARG A 9 -1.889 -4.419 11.281 1.00 61.35 N ATOM 0 H ARG A 9 0.123 -4.007 8.215 1.00 60.22 H new ATOM 0 HA ARG A 9 2.559 -5.196 7.053 1.00 23.43 H new ATOM 0 HB2 ARG A 9 1.369 -6.652 9.421 1.00 42.54 H new ATOM 0 HB3 ARG A 9 2.987 -6.760 8.756 1.00 42.54 H new ATOM 0 HG2 ARG A 9 3.680 -5.418 10.418 1.00 61.41 H new ATOM 0 HG3 ARG A 9 2.815 -4.104 9.646 1.00 61.41 H new ATOM 0 HD2 ARG A 9 1.854 -5.903 11.901 1.00 42.23 H new ATOM 0 HD3 ARG A 9 2.058 -4.163 11.924 1.00 42.23 H new ATOM 0 HE ARG A 9 0.117 -4.932 9.921 1.00 63.41 H new ATOM 0 HH11 ARG A 9 0.515 -4.491 13.427 1.00 54.21 H new ATOM 0 HH12 ARG A 9 -1.207 -4.188 13.684 1.00 54.21 H new ATOM 0 HH21 ARG A 9 -2.068 -4.527 10.283 1.00 61.35 H new ATOM 0 HH22 ARG A 9 -2.658 -4.208 11.917 1.00 61.35 H new ATOM 192 N ILE A 10 1.221 -7.433 6.302 1.00 71.22 N ATOM 193 CA ILE A 10 0.411 -8.376 5.516 1.00 12.11 C ATOM 194 C ILE A 10 0.530 -9.754 6.192 1.00 45.12 C ATOM 195 O ILE A 10 1.614 -10.082 6.730 1.00 31.24 O ATOM 196 CB ILE A 10 0.884 -8.498 3.989 1.00 64.15 C ATOM 197 CG1 ILE A 10 0.914 -7.108 3.273 1.00 52.14 C ATOM 198 CG2 ILE A 10 0.025 -9.507 3.189 1.00 52.11 C ATOM 199 CD1 ILE A 10 0.958 -7.070 1.726 1.00 40.23 C ATOM 0 H ILE A 10 2.213 -7.669 6.318 1.00 71.22 H new ATOM 0 HA ILE A 10 -0.615 -8.009 5.493 1.00 12.11 H new ATOM 0 HB ILE A 10 1.904 -8.882 4.016 1.00 64.15 H new ATOM 0 HG12 ILE A 10 0.032 -6.552 3.592 1.00 52.14 H new ATOM 0 HG13 ILE A 10 1.784 -6.565 3.642 1.00 52.14 H new ATOM 0 HG21 ILE A 10 0.383 -9.555 2.161 1.00 52.11 H new ATOM 0 HG22 ILE A 10 0.102 -10.493 3.647 1.00 52.11 H new ATOM 0 HG23 ILE A 10 -1.016 -9.184 3.196 1.00 52.11 H new ATOM 0 HD11 ILE A 10 0.975 -6.034 1.388 1.00 40.23 H new ATOM 0 HD12 ILE A 10 1.855 -7.581 1.375 1.00 40.23 H new ATOM 0 HD13 ILE A 10 0.076 -7.568 1.325 1.00 40.23 H new ATOM 211 N TYR A 11 -0.586 -10.525 6.199 1.00 65.23 N ATOM 212 CA TYR A 11 -0.640 -11.830 6.880 1.00 23.43 C ATOM 213 C TYR A 11 -0.588 -13.011 5.856 1.00 32.13 C ATOM 214 O TYR A 11 -1.553 -13.164 5.096 1.00 42.03 O ATOM 215 CB TYR A 11 -1.971 -11.872 7.664 1.00 44.14 C ATOM 216 CG TYR A 11 -1.989 -12.809 8.850 1.00 61.45 C ATOM 217 CD1 TYR A 11 -2.191 -14.173 8.694 1.00 24.33 C ATOM 218 CD2 TYR A 11 -1.824 -12.313 10.136 1.00 61.45 C ATOM 219 CE1 TYR A 11 -2.226 -15.017 9.784 1.00 74.24 C ATOM 220 CE2 TYR A 11 -1.854 -13.152 11.234 1.00 54.11 C ATOM 221 CZ TYR A 11 -2.055 -14.503 11.054 1.00 65.23 C ATOM 222 OH TYR A 11 -2.085 -15.339 12.153 1.00 51.51 O ATOM 0 H TYR A 11 -1.457 -10.260 5.739 1.00 65.23 H new ATOM 0 HA TYR A 11 0.219 -11.942 7.542 1.00 23.43 H new ATOM 0 HB2 TYR A 11 -2.201 -10.865 8.013 1.00 44.14 H new ATOM 0 HB3 TYR A 11 -2.768 -12.162 6.980 1.00 44.14 H new ATOM 0 HD1 TYR A 11 -2.323 -14.580 7.703 1.00 24.33 H new ATOM 0 HD2 TYR A 11 -1.670 -11.254 10.281 1.00 61.45 H new ATOM 0 HE1 TYR A 11 -2.387 -16.076 9.645 1.00 74.24 H new ATOM 0 HE2 TYR A 11 -1.721 -12.751 12.228 1.00 54.11 H new ATOM 0 HH TYR A 11 -1.947 -14.813 12.968 1.00 51.51 H new ATOM 232 N VAL A 12 0.491 -13.863 5.806 1.00 24.14 N ATOM 233 CA VAL A 12 0.485 -14.985 4.837 1.00 54.41 C ATOM 234 C VAL A 12 0.776 -16.327 5.564 1.00 22.44 C ATOM 235 O VAL A 12 1.895 -16.602 5.951 1.00 4.13 O ATOM 236 CB VAL A 12 1.474 -14.762 3.594 1.00 51.05 C ATOM 237 CG1 VAL A 12 1.001 -13.680 2.610 1.00 54.21 C ATOM 238 CG2 VAL A 12 2.898 -14.418 4.020 1.00 62.42 C ATOM 0 H VAL A 12 1.323 -13.793 6.393 1.00 24.14 H new ATOM 0 HA VAL A 12 -0.516 -15.025 4.408 1.00 54.41 H new ATOM 0 HB VAL A 12 1.463 -15.728 3.088 1.00 51.05 H new ATOM 0 HG11 VAL A 12 1.721 -13.587 1.797 1.00 54.21 H new ATOM 0 HG12 VAL A 12 0.029 -13.958 2.203 1.00 54.21 H new ATOM 0 HG13 VAL A 12 0.917 -12.726 3.131 1.00 54.21 H new ATOM 0 HG21 VAL A 12 3.519 -14.279 3.135 1.00 62.42 H new ATOM 0 HG22 VAL A 12 2.890 -13.499 4.606 1.00 62.42 H new ATOM 0 HG23 VAL A 12 3.303 -15.230 4.624 1.00 62.42 H new ATOM 248 N GLY A 13 -0.235 -17.186 5.724 1.00 64.10 N ATOM 249 CA GLY A 13 -0.049 -18.431 6.512 1.00 2.51 C ATOM 250 C GLY A 13 -0.626 -19.673 5.851 1.00 55.31 C ATOM 251 O GLY A 13 -1.146 -19.575 4.750 1.00 34.24 O ATOM 0 H GLY A 13 -1.169 -17.058 5.335 1.00 64.10 H new ATOM 0 HA2 GLY A 13 1.016 -18.585 6.683 1.00 2.51 H new ATOM 0 HA3 GLY A 13 -0.514 -18.303 7.490 1.00 2.51 H new ATOM 255 N ASN A 14 -0.513 -20.858 6.523 1.00 31.02 N ATOM 256 CA ASN A 14 -0.998 -22.174 5.979 1.00 42.33 C ATOM 257 C ASN A 14 -0.519 -22.471 4.524 1.00 43.20 C ATOM 258 O ASN A 14 -1.083 -23.294 3.856 1.00 5.11 O ATOM 259 CB ASN A 14 -2.540 -22.222 6.041 1.00 25.32 C ATOM 260 CG ASN A 14 -3.111 -21.918 7.423 1.00 53.42 C ATOM 261 OD1 ASN A 14 -3.435 -20.773 7.739 1.00 33.20 O ATOM 262 ND2 ASN A 14 -3.230 -22.939 8.251 1.00 11.21 N ATOM 0 H ASN A 14 -0.088 -20.933 7.447 1.00 31.02 H new ATOM 0 HA ASN A 14 -0.560 -22.949 6.608 1.00 42.33 H new ATOM 0 HB2 ASN A 14 -2.945 -21.507 5.325 1.00 25.32 H new ATOM 0 HB3 ASN A 14 -2.876 -23.211 5.729 1.00 25.32 H new ATOM 0 HD21 ASN A 14 -3.601 -22.794 9.190 1.00 11.21 H new ATOM 0 HD22 ASN A 14 -2.951 -23.873 7.952 1.00 11.21 H new ATOM 269 N LEU A 15 0.579 -21.852 4.099 1.00 61.02 N ATOM 270 CA LEU A 15 1.012 -21.818 2.718 1.00 55.35 C ATOM 271 C LEU A 15 1.959 -22.998 2.418 1.00 63.42 C ATOM 272 O LEU A 15 2.759 -23.363 3.291 1.00 4.30 O ATOM 273 CB LEU A 15 1.676 -20.434 2.431 1.00 54.53 C ATOM 274 CG LEU A 15 3.020 -20.119 3.136 1.00 43.10 C ATOM 275 CD1 LEU A 15 3.772 -19.036 2.400 1.00 70.32 C ATOM 276 CD2 LEU A 15 2.842 -19.655 4.577 1.00 71.53 C ATOM 0 H LEU A 15 1.204 -21.349 4.728 1.00 61.02 H new ATOM 0 HA LEU A 15 0.156 -21.931 2.052 1.00 55.35 H new ATOM 0 HB2 LEU A 15 1.835 -20.355 1.356 1.00 54.53 H new ATOM 0 HB3 LEU A 15 0.963 -19.657 2.706 1.00 54.53 H new ATOM 0 HG LEU A 15 3.576 -21.056 3.132 1.00 43.10 H new ATOM 0 HD11 LEU A 15 4.712 -18.832 2.913 1.00 70.32 H new ATOM 0 HD12 LEU A 15 3.979 -19.365 1.381 1.00 70.32 H new ATOM 0 HD13 LEU A 15 3.169 -18.128 2.373 1.00 70.32 H new ATOM 0 HD21 LEU A 15 3.818 -19.450 5.016 1.00 71.53 H new ATOM 0 HD22 LEU A 15 2.238 -18.748 4.595 1.00 71.53 H new ATOM 0 HD23 LEU A 15 2.342 -20.435 5.151 1.00 71.53 H new ATOM 288 N PRO A 16 1.867 -23.630 1.212 1.00 50.04 N ATOM 289 CA PRO A 16 2.777 -24.723 0.822 1.00 61.13 C ATOM 290 C PRO A 16 4.241 -24.236 0.699 1.00 71.33 C ATOM 291 O PRO A 16 4.453 -23.155 0.145 1.00 2.11 O ATOM 292 CB PRO A 16 2.243 -25.197 -0.543 1.00 44.43 C ATOM 293 CG PRO A 16 1.322 -24.135 -1.030 1.00 25.02 C ATOM 294 CD PRO A 16 0.859 -23.356 0.165 1.00 34.23 C ATOM 0 HA PRO A 16 2.796 -25.518 1.567 1.00 61.13 H new ATOM 0 HB2 PRO A 16 3.061 -25.353 -1.246 1.00 44.43 H new ATOM 0 HB3 PRO A 16 1.720 -26.149 -0.446 1.00 44.43 H new ATOM 0 HG2 PRO A 16 1.831 -23.482 -1.739 1.00 25.02 H new ATOM 0 HG3 PRO A 16 0.473 -24.574 -1.553 1.00 25.02 H new ATOM 0 HD2 PRO A 16 0.800 -22.290 -0.057 1.00 34.23 H new ATOM 0 HD3 PRO A 16 -0.135 -23.672 0.481 1.00 34.23 H new ATOM 302 N SER A 17 5.215 -25.011 1.292 1.00 61.55 N ATOM 303 CA SER A 17 6.681 -24.739 1.313 1.00 33.44 C ATOM 304 C SER A 17 7.068 -23.742 2.420 1.00 33.42 C ATOM 305 O SER A 17 8.086 -23.959 3.090 1.00 65.44 O ATOM 306 CB SER A 17 7.306 -24.323 -0.060 1.00 64.15 C ATOM 307 OG SER A 17 7.231 -22.922 -0.306 1.00 33.04 O ATOM 0 H SER A 17 4.980 -25.873 1.784 1.00 61.55 H new ATOM 0 HA SER A 17 7.122 -25.709 1.542 1.00 33.44 H new ATOM 0 HB2 SER A 17 8.350 -24.635 -0.087 1.00 64.15 H new ATOM 0 HB3 SER A 17 6.794 -24.855 -0.862 1.00 64.15 H new ATOM 0 HG SER A 17 6.303 -22.622 -0.210 1.00 33.04 H new ATOM 313 N HIS A 18 6.223 -22.699 2.621 1.00 70.45 N ATOM 314 CA HIS A 18 6.475 -21.559 3.526 1.00 44.31 C ATOM 315 C HIS A 18 7.635 -20.697 3.014 1.00 51.20 C ATOM 316 O HIS A 18 8.778 -21.151 2.920 1.00 53.20 O ATOM 317 CB HIS A 18 6.666 -21.995 5.000 1.00 4.33 C ATOM 318 CG HIS A 18 7.030 -20.885 5.965 1.00 22.44 C ATOM 319 ND1 HIS A 18 6.371 -19.755 6.327 1.00 31.14 N flip ATOM 320 CD2 HIS A 18 8.197 -20.888 6.689 1.00 52.52 C flip ATOM 321 CE1 HIS A 18 7.155 -19.107 7.248 1.00 11.21 C flip ATOM 322 NE2 HIS A 18 8.252 -19.814 7.448 1.00 31.12 N flip ATOM 0 H HIS A 18 5.325 -22.630 2.143 1.00 70.45 H new ATOM 0 HA HIS A 18 5.579 -20.939 3.520 1.00 44.31 H new ATOM 0 HB2 HIS A 18 5.745 -22.465 5.344 1.00 4.33 H new ATOM 0 HB3 HIS A 18 7.445 -22.756 5.038 1.00 4.33 H new ATOM 0 HD2 HIS A 18 8.955 -21.656 6.643 1.00 52.52 H new ATOM 0 HE1 HIS A 18 6.914 -18.171 7.731 1.00 11.21 H new ATOM 0 HE2 HIS A 18 9.012 -19.570 8.082 1.00 31.12 H new ATOM 331 N VAL A 19 7.320 -19.439 2.702 1.00 13.04 N ATOM 332 CA VAL A 19 8.338 -18.500 2.226 1.00 60.32 C ATOM 333 C VAL A 19 9.262 -18.131 3.471 1.00 41.43 C ATOM 334 O VAL A 19 8.756 -17.628 4.488 1.00 62.05 O ATOM 335 CB VAL A 19 7.636 -17.240 1.487 1.00 33.35 C ATOM 336 CG1 VAL A 19 6.639 -17.702 0.417 1.00 43.11 C ATOM 337 CG2 VAL A 19 6.909 -16.273 2.442 1.00 64.21 C ATOM 0 H VAL A 19 6.380 -19.050 2.769 1.00 13.04 H new ATOM 0 HA VAL A 19 8.983 -18.933 1.461 1.00 60.32 H new ATOM 0 HB VAL A 19 8.465 -16.697 1.032 1.00 33.35 H new ATOM 0 HG11 VAL A 19 6.187 -16.832 -0.059 1.00 43.11 H new ATOM 0 HG12 VAL A 19 7.160 -18.296 -0.334 1.00 43.11 H new ATOM 0 HG13 VAL A 19 5.861 -18.307 0.882 1.00 43.11 H new ATOM 0 HG21 VAL A 19 6.467 -15.458 1.868 1.00 64.21 H new ATOM 0 HG22 VAL A 19 6.124 -16.809 2.975 1.00 64.21 H new ATOM 0 HG23 VAL A 19 7.621 -15.866 3.160 1.00 64.21 H new ATOM 347 N SER A 20 10.596 -18.483 3.446 1.00 43.22 N ATOM 348 CA SER A 20 11.529 -18.156 4.551 1.00 72.32 C ATOM 349 C SER A 20 11.986 -16.682 4.463 1.00 31.41 C ATOM 350 O SER A 20 11.933 -16.126 3.367 1.00 60.12 O ATOM 351 CB SER A 20 12.743 -19.134 4.459 1.00 13.32 C ATOM 352 OG SER A 20 12.431 -20.251 3.637 1.00 14.31 O ATOM 0 H SER A 20 11.030 -18.988 2.673 1.00 43.22 H new ATOM 0 HA SER A 20 11.033 -18.275 5.514 1.00 72.32 H new ATOM 0 HB2 SER A 20 13.608 -18.609 4.054 1.00 13.32 H new ATOM 0 HB3 SER A 20 13.016 -19.476 5.457 1.00 13.32 H new ATOM 0 HG SER A 20 12.685 -20.056 2.711 1.00 14.31 H new ATOM 358 N SER A 21 12.419 -16.046 5.610 1.00 35.34 N ATOM 359 CA SER A 21 12.754 -14.603 5.669 1.00 54.43 C ATOM 360 C SER A 21 13.687 -14.083 4.560 1.00 41.55 C ATOM 361 O SER A 21 13.430 -12.992 4.041 1.00 2.31 O ATOM 362 CB SER A 21 13.356 -14.255 7.025 1.00 51.23 C ATOM 363 OG SER A 21 12.402 -14.393 8.059 1.00 71.52 O ATOM 0 H SER A 21 12.539 -16.528 6.501 1.00 35.34 H new ATOM 0 HA SER A 21 11.800 -14.101 5.509 1.00 54.43 H new ATOM 0 HB2 SER A 21 14.209 -14.904 7.225 1.00 51.23 H new ATOM 0 HB3 SER A 21 13.731 -13.232 7.007 1.00 51.23 H new ATOM 0 HG SER A 21 12.815 -14.165 8.918 1.00 71.52 H new ATOM 369 N ARG A 22 14.765 -14.824 4.216 1.00 52.45 N ATOM 370 CA ARG A 22 15.632 -14.423 3.062 1.00 50.44 C ATOM 371 C ARG A 22 14.836 -14.209 1.704 1.00 64.13 C ATOM 372 O ARG A 22 14.996 -13.146 1.038 1.00 25.35 O ATOM 373 CB ARG A 22 16.904 -15.359 2.905 1.00 3.12 C ATOM 374 CG ARG A 22 17.478 -15.536 1.490 1.00 10.24 C ATOM 375 CD ARG A 22 16.918 -16.764 0.775 1.00 70.04 C ATOM 376 NE ARG A 22 17.937 -17.801 0.579 1.00 70.31 N ATOM 377 CZ ARG A 22 18.899 -17.756 -0.358 1.00 33.12 C ATOM 378 NH1 ARG A 22 18.990 -16.725 -1.207 1.00 11.33 N ATOM 379 NH2 ARG A 22 19.764 -18.762 -0.452 1.00 74.34 N ATOM 0 H ARG A 22 15.057 -15.676 4.696 1.00 52.45 H new ATOM 0 HA ARG A 22 16.013 -13.433 3.313 1.00 50.44 H new ATOM 0 HB2 ARG A 22 17.695 -14.964 3.543 1.00 3.12 H new ATOM 0 HB3 ARG A 22 16.647 -16.346 3.291 1.00 3.12 H new ATOM 0 HG2 ARG A 22 17.259 -14.646 0.900 1.00 10.24 H new ATOM 0 HG3 ARG A 22 18.563 -15.619 1.551 1.00 10.24 H new ATOM 0 HD2 ARG A 22 16.091 -17.174 1.354 1.00 70.04 H new ATOM 0 HD3 ARG A 22 16.513 -16.467 -0.192 1.00 70.04 H new ATOM 0 HE ARG A 22 17.914 -18.612 1.197 1.00 70.31 H new ATOM 0 HH11 ARG A 22 18.322 -15.956 -1.149 1.00 11.33 H new ATOM 0 HH12 ARG A 22 19.727 -16.708 -1.912 1.00 11.33 H new ATOM 0 HH21 ARG A 22 19.693 -19.557 0.183 1.00 74.34 H new ATOM 0 HH22 ARG A 22 20.498 -18.739 -1.159 1.00 74.34 H new ATOM 393 N ASP A 23 13.944 -15.166 1.330 1.00 1.44 N ATOM 394 CA ASP A 23 13.200 -15.099 0.063 1.00 12.22 C ATOM 395 C ASP A 23 12.105 -14.031 0.089 1.00 4.34 C ATOM 396 O ASP A 23 11.866 -13.387 -0.944 1.00 21.35 O ATOM 397 CB ASP A 23 12.579 -16.461 -0.318 1.00 75.22 C ATOM 398 CG ASP A 23 13.590 -17.411 -0.920 1.00 21.52 C ATOM 399 OD1 ASP A 23 13.840 -17.325 -2.138 1.00 32.33 O ATOM 400 OD2 ASP A 23 14.138 -18.249 -0.168 1.00 62.01 O ATOM 0 H ASP A 23 13.730 -15.988 1.894 1.00 1.44 H new ATOM 0 HA ASP A 23 13.934 -14.824 -0.695 1.00 12.22 H new ATOM 0 HB2 ASP A 23 12.140 -16.917 0.569 1.00 75.22 H new ATOM 0 HB3 ASP A 23 11.768 -16.301 -1.028 1.00 75.22 H new ATOM 405 N VAL A 24 11.435 -13.831 1.255 1.00 13.54 N ATOM 406 CA VAL A 24 10.433 -12.786 1.378 1.00 15.24 C ATOM 407 C VAL A 24 11.088 -11.401 1.341 1.00 11.24 C ATOM 408 O VAL A 24 10.603 -10.559 0.616 1.00 2.52 O ATOM 409 CB VAL A 24 9.409 -13.030 2.562 1.00 15.21 C ATOM 410 CG1 VAL A 24 10.059 -13.471 3.830 1.00 43.02 C ATOM 411 CG2 VAL A 24 8.507 -11.857 2.900 1.00 40.12 C ATOM 0 H VAL A 24 11.581 -14.381 2.101 1.00 13.54 H new ATOM 0 HA VAL A 24 9.787 -12.828 0.501 1.00 15.24 H new ATOM 0 HB VAL A 24 8.792 -13.829 2.150 1.00 15.21 H new ATOM 0 HG11 VAL A 24 9.298 -13.619 4.597 1.00 43.02 H new ATOM 0 HG12 VAL A 24 10.590 -14.408 3.660 1.00 43.02 H new ATOM 0 HG13 VAL A 24 10.765 -12.709 4.161 1.00 43.02 H new ATOM 0 HG21 VAL A 24 7.847 -12.131 3.723 1.00 40.12 H new ATOM 0 HG22 VAL A 24 9.116 -11.002 3.193 1.00 40.12 H new ATOM 0 HG23 VAL A 24 7.909 -11.594 2.027 1.00 40.12 H new ATOM 421 N GLU A 25 12.209 -11.174 2.051 1.00 1.14 N ATOM 422 CA GLU A 25 13.029 -9.940 1.775 1.00 11.51 C ATOM 423 C GLU A 25 13.315 -9.755 0.267 1.00 50.42 C ATOM 424 O GLU A 25 12.797 -8.802 -0.275 1.00 22.22 O ATOM 425 CB GLU A 25 14.399 -9.877 2.523 1.00 4.21 C ATOM 426 CG GLU A 25 15.182 -8.565 2.286 1.00 20.13 C ATOM 427 CD GLU A 25 16.181 -8.289 3.380 1.00 54.13 C ATOM 428 OE1 GLU A 25 17.276 -8.878 3.336 1.00 24.33 O ATOM 429 OE2 GLU A 25 15.876 -7.475 4.276 1.00 10.32 O ATOM 0 H GLU A 25 12.569 -11.782 2.786 1.00 1.14 H new ATOM 0 HA GLU A 25 12.398 -9.137 2.157 1.00 11.51 H new ATOM 0 HB2 GLU A 25 14.224 -9.996 3.592 1.00 4.21 H new ATOM 0 HB3 GLU A 25 15.015 -10.719 2.205 1.00 4.21 H new ATOM 0 HG2 GLU A 25 15.701 -8.622 1.329 1.00 20.13 H new ATOM 0 HG3 GLU A 25 14.481 -7.733 2.219 1.00 20.13 H new ATOM 436 N ASN A 26 13.997 -10.686 -0.443 1.00 3.42 N ATOM 437 CA ASN A 26 14.377 -10.380 -1.871 1.00 11.12 C ATOM 438 C ASN A 26 13.149 -10.343 -2.886 1.00 40.53 C ATOM 439 O ASN A 26 12.768 -9.225 -3.437 1.00 64.24 O ATOM 440 CB ASN A 26 15.488 -11.362 -2.404 1.00 64.42 C ATOM 441 CG ASN A 26 15.980 -10.987 -3.789 1.00 44.41 C ATOM 442 OD1 ASN A 26 15.461 -11.465 -4.799 1.00 31.15 O ATOM 443 ND2 ASN A 26 17.002 -10.130 -3.835 1.00 53.43 N ATOM 0 H ASN A 26 14.286 -11.600 -0.094 1.00 3.42 H new ATOM 0 HA ASN A 26 14.777 -9.367 -1.835 1.00 11.12 H new ATOM 0 HB2 ASN A 26 16.330 -11.363 -1.711 1.00 64.42 H new ATOM 0 HB3 ASN A 26 15.091 -12.377 -2.426 1.00 64.42 H new ATOM 0 HD21 ASN A 26 17.387 -9.843 -4.735 1.00 53.43 H new ATOM 0 HD22 ASN A 26 17.398 -9.761 -2.970 1.00 53.43 H new ATOM 450 N GLU A 27 12.427 -11.494 -3.051 1.00 40.35 N ATOM 451 CA GLU A 27 11.311 -11.520 -3.990 1.00 51.24 C ATOM 452 C GLU A 27 10.111 -10.695 -3.504 1.00 13.15 C ATOM 453 O GLU A 27 9.493 -10.054 -4.350 1.00 23.24 O ATOM 454 CB GLU A 27 10.904 -12.967 -4.426 1.00 54.34 C ATOM 455 CG GLU A 27 9.939 -13.058 -5.649 1.00 45.53 C ATOM 456 CD GLU A 27 10.343 -14.135 -6.635 1.00 72.12 C ATOM 457 OE1 GLU A 27 11.230 -13.869 -7.473 1.00 52.10 O ATOM 458 OE2 GLU A 27 9.763 -15.244 -6.578 1.00 13.11 O ATOM 0 H GLU A 27 12.604 -12.370 -2.559 1.00 40.35 H new ATOM 0 HA GLU A 27 11.677 -11.031 -4.893 1.00 51.24 H new ATOM 0 HB2 GLU A 27 11.811 -13.525 -4.660 1.00 54.34 H new ATOM 0 HB3 GLU A 27 10.434 -13.464 -3.577 1.00 54.34 H new ATOM 0 HG2 GLU A 27 8.928 -13.257 -5.294 1.00 45.53 H new ATOM 0 HG3 GLU A 27 9.914 -12.095 -6.159 1.00 45.53 H new ATOM 465 N PHE A 28 9.787 -10.602 -2.182 1.00 50.14 N ATOM 466 CA PHE A 28 8.656 -9.747 -1.837 1.00 10.51 C ATOM 467 C PHE A 28 9.028 -8.243 -1.861 1.00 33.15 C ATOM 468 O PHE A 28 8.168 -7.427 -2.214 1.00 11.43 O ATOM 469 CB PHE A 28 7.968 -10.123 -0.520 1.00 4.44 C ATOM 470 CG PHE A 28 6.632 -10.818 -0.668 1.00 72.51 C ATOM 471 CD1 PHE A 28 5.472 -10.060 -0.766 1.00 30.02 C ATOM 472 CD2 PHE A 28 6.521 -12.212 -0.658 1.00 31.11 C ATOM 473 CE1 PHE A 28 4.236 -10.664 -0.873 1.00 21.35 C ATOM 474 CE2 PHE A 28 5.273 -12.820 -0.775 1.00 21.14 C ATOM 475 CZ PHE A 28 4.136 -12.044 -0.870 1.00 75.15 C ATOM 0 H PHE A 28 10.258 -11.072 -1.409 1.00 50.14 H new ATOM 0 HA PHE A 28 7.923 -9.927 -2.623 1.00 10.51 H new ATOM 0 HB2 PHE A 28 8.636 -10.770 0.048 1.00 4.44 H new ATOM 0 HB3 PHE A 28 7.825 -9.217 0.069 1.00 4.44 H new ATOM 0 HD1 PHE A 28 5.539 -8.982 -0.758 1.00 30.02 H new ATOM 0 HD2 PHE A 28 7.408 -12.821 -0.559 1.00 31.11 H new ATOM 0 HE1 PHE A 28 3.346 -10.059 -0.959 1.00 21.35 H new ATOM 0 HE2 PHE A 28 5.196 -13.897 -0.791 1.00 21.14 H new ATOM 0 HZ PHE A 28 3.167 -12.515 -0.942 1.00 75.15 H new ATOM 485 N ARG A 29 10.283 -7.862 -1.447 1.00 52.31 N ATOM 486 CA ARG A 29 10.786 -6.471 -1.747 1.00 22.13 C ATOM 487 C ARG A 29 10.715 -6.046 -3.239 1.00 24.52 C ATOM 488 O ARG A 29 10.668 -4.821 -3.453 1.00 65.13 O ATOM 489 CB ARG A 29 12.222 -6.099 -1.232 1.00 22.53 C ATOM 490 CG ARG A 29 13.335 -6.191 -2.293 1.00 75.33 C ATOM 491 CD ARG A 29 14.506 -5.274 -2.011 1.00 4.53 C ATOM 492 NE ARG A 29 15.329 -5.150 -3.205 1.00 23.14 N ATOM 493 CZ ARG A 29 15.051 -4.353 -4.242 1.00 12.45 C ATOM 494 NH1 ARG A 29 13.965 -3.580 -4.256 1.00 35.24 N ATOM 495 NH2 ARG A 29 15.842 -4.369 -5.294 1.00 72.54 N ATOM 0 H ARG A 29 10.933 -8.458 -0.934 1.00 52.31 H new ATOM 0 HA ARG A 29 10.059 -5.913 -1.158 1.00 22.13 H new ATOM 0 HB2 ARG A 29 12.199 -5.083 -0.838 1.00 22.53 H new ATOM 0 HB3 ARG A 29 12.476 -6.758 -0.402 1.00 22.53 H new ATOM 0 HG2 ARG A 29 13.692 -7.219 -2.347 1.00 75.33 H new ATOM 0 HG3 ARG A 29 12.918 -5.947 -3.270 1.00 75.33 H new ATOM 0 HD2 ARG A 29 14.146 -4.293 -1.702 1.00 4.53 H new ATOM 0 HD3 ARG A 29 15.100 -5.669 -1.187 1.00 4.53 H new ATOM 0 HE ARG A 29 16.179 -5.712 -3.254 1.00 23.14 H new ATOM 0 HH11 ARG A 29 13.323 -3.588 -3.463 1.00 35.24 H new ATOM 0 HH12 ARG A 29 13.776 -2.981 -5.060 1.00 35.24 H new ATOM 0 HH21 ARG A 29 16.655 -4.984 -5.311 1.00 72.54 H new ATOM 0 HH22 ARG A 29 15.642 -3.766 -6.092 1.00 72.54 H new ATOM 509 N LYS A 30 10.791 -6.943 -4.295 1.00 63.34 N ATOM 510 CA LYS A 30 10.403 -6.381 -5.655 1.00 72.32 C ATOM 511 C LYS A 30 8.996 -5.746 -5.629 1.00 43.53 C ATOM 512 O LYS A 30 8.843 -4.580 -6.034 1.00 2.52 O ATOM 513 CB LYS A 30 10.551 -7.417 -6.860 1.00 51.10 C ATOM 514 CG LYS A 30 9.331 -7.685 -7.838 1.00 44.21 C ATOM 515 CD LYS A 30 8.865 -6.471 -8.652 1.00 52.04 C ATOM 516 CE LYS A 30 7.346 -6.505 -8.918 1.00 34.32 C ATOM 517 NZ LYS A 30 6.971 -7.498 -9.982 1.00 12.44 N ATOM 0 H LYS A 30 11.075 -7.922 -4.254 1.00 63.34 H new ATOM 0 HA LYS A 30 11.132 -5.596 -5.856 1.00 72.32 H new ATOM 0 HB2 LYS A 30 11.388 -7.083 -7.472 1.00 51.10 H new ATOM 0 HB3 LYS A 30 10.835 -8.376 -6.428 1.00 51.10 H new ATOM 0 HG2 LYS A 30 9.609 -8.480 -8.529 1.00 44.21 H new ATOM 0 HG3 LYS A 30 8.490 -8.053 -7.251 1.00 44.21 H new ATOM 0 HD2 LYS A 30 9.119 -5.556 -8.117 1.00 52.04 H new ATOM 0 HD3 LYS A 30 9.399 -6.444 -9.602 1.00 52.04 H new ATOM 0 HE2 LYS A 30 6.824 -6.753 -7.994 1.00 34.32 H new ATOM 0 HE3 LYS A 30 7.010 -5.512 -9.217 1.00 34.32 H new ATOM 0 HZ1 LYS A 30 6.372 -7.034 -10.694 1.00 12.44 H new ATOM 0 HZ2 LYS A 30 7.833 -7.861 -10.438 1.00 12.44 H new ATOM 0 HZ3 LYS A 30 6.449 -8.288 -9.551 1.00 12.44 H new ATOM 531 N TYR A 31 8.026 -6.428 -5.064 1.00 65.21 N ATOM 532 CA TYR A 31 6.634 -6.048 -5.261 1.00 52.21 C ATOM 533 C TYR A 31 6.231 -4.806 -4.419 1.00 54.02 C ATOM 534 O TYR A 31 5.517 -3.958 -4.940 1.00 30.42 O ATOM 535 CB TYR A 31 5.712 -7.255 -5.007 1.00 10.22 C ATOM 536 CG TYR A 31 5.895 -8.499 -5.922 1.00 14.13 C ATOM 537 CD1 TYR A 31 5.210 -8.633 -7.145 1.00 5.42 C ATOM 538 CD2 TYR A 31 6.706 -9.563 -5.540 1.00 54.34 C ATOM 539 CE1 TYR A 31 5.354 -9.784 -7.933 1.00 71.22 C ATOM 540 CE2 TYR A 31 6.849 -10.699 -6.319 1.00 11.44 C ATOM 541 CZ TYR A 31 6.175 -10.798 -7.506 1.00 44.41 C ATOM 542 OH TYR A 31 6.326 -11.919 -8.275 1.00 61.10 O ATOM 0 H TYR A 31 8.167 -7.243 -4.468 1.00 65.21 H new ATOM 0 HA TYR A 31 6.513 -5.745 -6.301 1.00 52.21 H new ATOM 0 HB2 TYR A 31 5.850 -7.573 -3.974 1.00 10.22 H new ATOM 0 HB3 TYR A 31 4.680 -6.917 -5.101 1.00 10.22 H new ATOM 0 HD1 TYR A 31 4.563 -7.836 -7.482 1.00 5.42 H new ATOM 0 HD2 TYR A 31 7.242 -9.501 -4.604 1.00 54.34 H new ATOM 0 HE1 TYR A 31 4.823 -9.872 -8.869 1.00 71.22 H new ATOM 0 HE2 TYR A 31 7.490 -11.504 -5.991 1.00 11.44 H new ATOM 0 HH TYR A 31 5.642 -12.577 -8.032 1.00 61.10 H new ATOM 552 N GLY A 32 6.714 -4.654 -3.160 1.00 73.15 N ATOM 553 CA GLY A 32 6.505 -3.398 -2.430 1.00 21.24 C ATOM 554 C GLY A 32 7.647 -3.110 -1.477 1.00 52.24 C ATOM 555 O GLY A 32 8.597 -3.894 -1.417 1.00 55.20 O ATOM 0 H GLY A 32 7.234 -5.368 -2.650 1.00 73.15 H new ATOM 0 HA2 GLY A 32 6.406 -2.576 -3.139 1.00 21.24 H new ATOM 0 HA3 GLY A 32 5.570 -3.452 -1.873 1.00 21.24 H new ATOM 559 N ASN A 33 7.542 -2.036 -0.673 1.00 65.51 N ATOM 560 CA ASN A 33 8.732 -1.559 0.047 1.00 53.41 C ATOM 561 C ASN A 33 8.692 -2.075 1.498 1.00 1.42 C ATOM 562 O ASN A 33 7.949 -1.539 2.332 1.00 54.40 O ATOM 563 CB ASN A 33 8.902 -0.009 0.015 1.00 24.11 C ATOM 564 CG ASN A 33 10.347 0.411 -0.162 1.00 52.14 C ATOM 565 OD1 ASN A 33 11.161 -0.301 -0.754 1.00 61.44 O ATOM 566 ND2 ASN A 33 10.665 1.592 0.326 1.00 0.31 N ATOM 0 H ASN A 33 6.687 -1.504 -0.511 1.00 65.51 H new ATOM 0 HA ASN A 33 9.603 -1.960 -0.471 1.00 53.41 H new ATOM 0 HB2 ASN A 33 8.305 0.402 -0.799 1.00 24.11 H new ATOM 0 HB3 ASN A 33 8.514 0.415 0.941 1.00 24.11 H new ATOM 0 HD21 ASN A 33 11.615 1.949 0.220 1.00 0.31 H new ATOM 0 HD22 ASN A 33 9.961 2.150 0.809 1.00 0.31 H new ATOM 573 N ILE A 34 9.428 -3.168 1.764 1.00 4.54 N ATOM 574 CA ILE A 34 9.480 -3.778 3.118 1.00 12.32 C ATOM 575 C ILE A 34 10.337 -2.967 4.141 1.00 42.21 C ATOM 576 O ILE A 34 11.436 -2.508 3.815 1.00 71.41 O ATOM 577 CB ILE A 34 9.890 -5.315 3.072 1.00 62.22 C ATOM 578 CG1 ILE A 34 10.520 -5.841 4.403 1.00 44.04 C ATOM 579 CG2 ILE A 34 10.765 -5.649 1.872 1.00 64.54 C ATOM 580 CD1 ILE A 34 12.062 -5.876 4.480 1.00 4.45 C ATOM 0 H ILE A 34 9.995 -3.651 1.067 1.00 4.54 H new ATOM 0 HA ILE A 34 8.459 -3.730 3.495 1.00 12.32 H new ATOM 0 HB ILE A 34 8.949 -5.851 2.952 1.00 62.22 H new ATOM 0 HG12 ILE A 34 10.154 -5.220 5.220 1.00 44.04 H new ATOM 0 HG13 ILE A 34 10.149 -6.851 4.578 1.00 44.04 H new ATOM 0 HG21 ILE A 34 11.016 -6.710 1.889 1.00 64.54 H new ATOM 0 HG22 ILE A 34 10.226 -5.418 0.953 1.00 64.54 H new ATOM 0 HG23 ILE A 34 11.680 -5.059 1.914 1.00 64.54 H new ATOM 0 HD11 ILE A 34 12.369 -6.260 5.453 1.00 4.45 H new ATOM 0 HD12 ILE A 34 12.451 -6.524 3.695 1.00 4.45 H new ATOM 0 HD13 ILE A 34 12.456 -4.868 4.347 1.00 4.45 H new ATOM 592 N LEU A 35 9.803 -2.770 5.384 1.00 43.51 N ATOM 593 CA LEU A 35 10.594 -2.167 6.486 1.00 5.45 C ATOM 594 C LEU A 35 10.986 -3.263 7.527 1.00 1.15 C ATOM 595 O LEU A 35 12.000 -3.128 8.219 1.00 15.24 O ATOM 596 CB LEU A 35 9.897 -0.922 7.170 1.00 12.43 C ATOM 597 CG LEU A 35 8.964 -0.040 6.273 1.00 55.13 C ATOM 598 CD1 LEU A 35 7.726 0.419 7.047 1.00 70.00 C ATOM 599 CD2 LEU A 35 9.668 1.225 5.744 1.00 32.34 C ATOM 0 H LEU A 35 8.847 -3.017 5.638 1.00 43.51 H new ATOM 0 HA LEU A 35 11.502 -1.763 6.038 1.00 5.45 H new ATOM 0 HB2 LEU A 35 9.310 -1.285 8.013 1.00 12.43 H new ATOM 0 HB3 LEU A 35 10.678 -0.280 7.578 1.00 12.43 H new ATOM 0 HG LEU A 35 8.686 -0.677 5.433 1.00 55.13 H new ATOM 0 HD11 LEU A 35 7.097 1.029 6.399 1.00 70.00 H new ATOM 0 HD12 LEU A 35 7.163 -0.452 7.383 1.00 70.00 H new ATOM 0 HD13 LEU A 35 8.035 1.007 7.911 1.00 70.00 H new ATOM 0 HD21 LEU A 35 8.974 1.797 5.129 1.00 32.34 H new ATOM 0 HD22 LEU A 35 9.997 1.836 6.584 1.00 32.34 H new ATOM 0 HD23 LEU A 35 10.531 0.937 5.144 1.00 32.34 H new ATOM 611 N LYS A 36 10.177 -4.349 7.623 1.00 4.52 N ATOM 612 CA LYS A 36 10.541 -5.584 8.378 1.00 12.44 C ATOM 613 C LYS A 36 9.792 -6.806 7.793 1.00 70.15 C ATOM 614 O LYS A 36 8.717 -6.646 7.202 1.00 41.21 O ATOM 615 CB LYS A 36 10.272 -5.512 9.911 1.00 32.15 C ATOM 616 CG LYS A 36 8.807 -5.609 10.345 1.00 40.44 C ATOM 617 CD LYS A 36 8.677 -6.365 11.667 1.00 13.02 C ATOM 618 CE LYS A 36 7.232 -6.706 12.009 1.00 2.33 C ATOM 619 NZ LYS A 36 6.443 -5.510 12.412 1.00 63.31 N ATOM 0 H LYS A 36 9.258 -4.397 7.183 1.00 4.52 H new ATOM 0 HA LYS A 36 11.620 -5.685 8.258 1.00 12.44 H new ATOM 0 HB2 LYS A 36 10.827 -6.316 10.394 1.00 32.15 H new ATOM 0 HB3 LYS A 36 10.679 -4.573 10.287 1.00 32.15 H new ATOM 0 HG2 LYS A 36 8.388 -4.608 10.451 1.00 40.44 H new ATOM 0 HG3 LYS A 36 8.228 -6.116 9.573 1.00 40.44 H new ATOM 0 HD2 LYS A 36 9.260 -7.284 11.614 1.00 13.02 H new ATOM 0 HD3 LYS A 36 9.104 -5.763 12.469 1.00 13.02 H new ATOM 0 HE2 LYS A 36 6.759 -7.175 11.146 1.00 2.33 H new ATOM 0 HE3 LYS A 36 7.216 -7.437 12.818 1.00 2.33 H new ATOM 0 HZ1 LYS A 36 5.440 -5.770 12.503 1.00 63.31 H new ATOM 0 HZ2 LYS A 36 6.793 -5.155 13.325 1.00 63.31 H new ATOM 0 HZ3 LYS A 36 6.544 -4.768 11.690 1.00 63.31 H new ATOM 633 N CYS A 37 10.366 -8.024 7.954 1.00 1.52 N ATOM 634 CA CYS A 37 9.712 -9.258 7.542 1.00 10.40 C ATOM 635 C CYS A 37 9.971 -10.309 8.608 1.00 63.20 C ATOM 636 O CYS A 37 11.086 -10.827 8.730 1.00 3.15 O ATOM 637 CB CYS A 37 10.255 -9.723 6.176 1.00 60.42 C ATOM 638 SG CYS A 37 12.008 -9.356 5.905 1.00 42.33 S ATOM 0 H CYS A 37 11.287 -8.162 8.371 1.00 1.52 H new ATOM 0 HA CYS A 37 8.639 -9.097 7.433 1.00 10.40 H new ATOM 0 HB2 CYS A 37 10.103 -10.799 6.085 1.00 60.42 H new ATOM 0 HB3 CYS A 37 9.671 -9.251 5.386 1.00 60.42 H new ATOM 0 HG CYS A 37 12.366 -9.788 4.732 1.00 42.33 H new ATOM 644 N ASP A 38 8.954 -10.607 9.403 1.00 61.21 N ATOM 645 CA ASP A 38 9.175 -11.570 10.531 1.00 0.11 C ATOM 646 C ASP A 38 8.429 -12.915 10.367 1.00 14.23 C ATOM 647 O ASP A 38 7.319 -12.966 9.841 1.00 54.02 O ATOM 648 CB ASP A 38 8.827 -10.902 11.871 1.00 21.01 C ATOM 649 CG ASP A 38 9.334 -11.665 13.081 1.00 33.52 C ATOM 650 OD1 ASP A 38 10.558 -11.909 13.167 1.00 71.43 O ATOM 651 OD2 ASP A 38 8.502 -12.023 13.939 1.00 64.10 O ATOM 0 H ASP A 38 8.009 -10.233 9.318 1.00 61.21 H new ATOM 0 HA ASP A 38 10.234 -11.826 10.514 1.00 0.11 H new ATOM 0 HB2 ASP A 38 9.246 -9.896 11.885 1.00 21.01 H new ATOM 0 HB3 ASP A 38 7.745 -10.798 11.945 1.00 21.01 H new ATOM 656 N VAL A 39 9.074 -14.006 10.827 1.00 62.21 N ATOM 657 CA VAL A 39 8.480 -15.361 10.834 1.00 43.53 C ATOM 658 C VAL A 39 7.892 -15.643 12.242 1.00 33.11 C ATOM 659 O VAL A 39 8.639 -15.727 13.218 1.00 32.11 O ATOM 660 CB VAL A 39 9.531 -16.524 10.458 1.00 13.33 C ATOM 661 CG1 VAL A 39 8.982 -17.950 10.657 1.00 23.42 C ATOM 662 CG2 VAL A 39 10.014 -16.425 9.015 1.00 53.42 C ATOM 0 H VAL A 39 10.021 -13.974 11.204 1.00 62.21 H new ATOM 0 HA VAL A 39 7.706 -15.376 10.066 1.00 43.53 H new ATOM 0 HB VAL A 39 10.354 -16.359 11.153 1.00 13.33 H new ATOM 0 HG11 VAL A 39 9.747 -18.676 10.383 1.00 23.42 H new ATOM 0 HG12 VAL A 39 8.706 -18.091 11.702 1.00 23.42 H new ATOM 0 HG13 VAL A 39 8.104 -18.093 10.027 1.00 23.42 H new ATOM 0 HG21 VAL A 39 10.720 -17.230 8.811 1.00 53.42 H new ATOM 0 HG22 VAL A 39 9.163 -16.509 8.340 1.00 53.42 H new ATOM 0 HG23 VAL A 39 10.505 -15.464 8.861 1.00 53.42 H new ATOM 672 N LYS A 40 6.560 -15.778 12.353 1.00 33.41 N ATOM 673 CA LYS A 40 5.916 -16.145 13.628 1.00 55.35 C ATOM 674 C LYS A 40 5.241 -17.544 13.442 1.00 41.21 C ATOM 675 O LYS A 40 4.531 -17.720 12.454 1.00 44.05 O ATOM 676 CB LYS A 40 4.897 -15.022 13.989 1.00 42.40 C ATOM 677 CG LYS A 40 5.540 -13.729 14.524 1.00 63.52 C ATOM 678 CD LYS A 40 5.112 -12.490 13.698 1.00 1.22 C ATOM 679 CE LYS A 40 3.768 -11.911 14.117 1.00 71.30 C ATOM 680 NZ LYS A 40 3.926 -10.968 15.252 1.00 41.53 N ATOM 0 H LYS A 40 5.910 -15.639 11.580 1.00 33.41 H new ATOM 0 HA LYS A 40 6.626 -16.227 14.451 1.00 55.35 H new ATOM 0 HB2 LYS A 40 4.310 -14.782 13.102 1.00 42.40 H new ATOM 0 HB3 LYS A 40 4.203 -15.405 14.737 1.00 42.40 H new ATOM 0 HG2 LYS A 40 5.257 -13.586 15.567 1.00 63.52 H new ATOM 0 HG3 LYS A 40 6.625 -13.825 14.499 1.00 63.52 H new ATOM 0 HD2 LYS A 40 5.876 -11.719 13.794 1.00 1.22 H new ATOM 0 HD3 LYS A 40 5.067 -12.765 12.644 1.00 1.22 H new ATOM 0 HE2 LYS A 40 3.311 -11.396 13.272 1.00 71.30 H new ATOM 0 HE3 LYS A 40 3.093 -12.718 14.401 1.00 71.30 H new ATOM 0 HZ1 LYS A 40 2.996 -10.587 15.519 1.00 41.53 H new ATOM 0 HZ2 LYS A 40 4.341 -11.468 16.064 1.00 41.53 H new ATOM 0 HZ3 LYS A 40 4.552 -10.187 14.970 1.00 41.53 H new ATOM 694 N LYS A 41 5.421 -18.558 14.345 1.00 11.33 N ATOM 695 CA LYS A 41 4.935 -19.920 14.000 1.00 73.22 C ATOM 696 C LYS A 41 4.049 -20.440 15.179 1.00 54.54 C ATOM 697 O LYS A 41 4.351 -20.105 16.329 1.00 51.40 O ATOM 698 CB LYS A 41 6.140 -20.902 13.576 1.00 12.04 C ATOM 699 CG LYS A 41 6.807 -21.760 14.675 1.00 44.51 C ATOM 700 CD LYS A 41 7.356 -20.949 15.845 1.00 11.31 C ATOM 701 CE LYS A 41 8.364 -19.878 15.424 1.00 25.10 C ATOM 702 NZ LYS A 41 9.409 -19.660 16.453 1.00 32.21 N ATOM 0 H LYS A 41 5.869 -18.465 15.257 1.00 11.33 H new ATOM 0 HA LYS A 41 4.308 -19.888 13.109 1.00 73.22 H new ATOM 0 HB2 LYS A 41 5.763 -21.579 12.809 1.00 12.04 H new ATOM 0 HB3 LYS A 41 6.917 -20.294 13.112 1.00 12.04 H new ATOM 0 HG2 LYS A 41 6.079 -22.478 15.053 1.00 44.51 H new ATOM 0 HG3 LYS A 41 7.620 -22.334 14.231 1.00 44.51 H new ATOM 0 HD2 LYS A 41 6.527 -20.471 16.367 1.00 11.31 H new ATOM 0 HD3 LYS A 41 7.832 -21.626 16.555 1.00 11.31 H new ATOM 0 HE2 LYS A 41 8.835 -20.173 14.486 1.00 25.10 H new ATOM 0 HE3 LYS A 41 7.840 -18.941 15.236 1.00 25.10 H new ATOM 0 HZ1 LYS A 41 10.070 -18.927 16.126 1.00 32.21 H new ATOM 0 HZ2 LYS A 41 8.963 -19.353 17.341 1.00 32.21 H new ATOM 0 HZ3 LYS A 41 9.928 -20.547 16.614 1.00 32.21 H new ATOM 716 N THR A 42 2.920 -21.166 14.938 1.00 52.25 N ATOM 717 CA THR A 42 2.102 -21.614 16.068 1.00 41.34 C ATOM 718 C THR A 42 2.361 -23.117 16.419 1.00 5.22 C ATOM 719 O THR A 42 3.068 -23.809 15.681 1.00 71.42 O ATOM 720 CB THR A 42 0.578 -21.340 15.837 1.00 51.33 C ATOM 721 OG1 THR A 42 -0.152 -21.456 17.064 1.00 5.12 O ATOM 722 CG2 THR A 42 -0.047 -22.277 14.802 1.00 33.41 C ATOM 0 H THR A 42 2.580 -21.435 14.015 1.00 52.25 H new ATOM 0 HA THR A 42 2.411 -21.020 16.928 1.00 41.34 H new ATOM 0 HB THR A 42 0.513 -20.322 15.453 1.00 51.33 H new ATOM 0 HG1 THR A 42 -1.101 -21.279 16.898 1.00 5.12 H new ATOM 0 HG21 THR A 42 -1.104 -22.038 14.686 1.00 33.41 H new ATOM 0 HG22 THR A 42 0.460 -22.153 13.845 1.00 33.41 H new ATOM 0 HG23 THR A 42 0.057 -23.309 15.136 1.00 33.41 H new ATOM 730 N VAL A 43 1.765 -23.615 17.531 1.00 11.40 N ATOM 731 CA VAL A 43 1.954 -25.003 18.015 1.00 33.34 C ATOM 732 C VAL A 43 1.159 -26.041 17.166 1.00 61.13 C ATOM 733 O VAL A 43 1.374 -27.251 17.298 1.00 53.22 O ATOM 734 CB VAL A 43 1.566 -25.147 19.543 1.00 12.22 C ATOM 735 CG1 VAL A 43 2.296 -26.311 20.187 1.00 73.30 C ATOM 736 CG2 VAL A 43 1.817 -23.862 20.352 1.00 23.02 C ATOM 0 H VAL A 43 1.139 -23.063 18.117 1.00 11.40 H new ATOM 0 HA VAL A 43 3.016 -25.219 17.902 1.00 33.34 H new ATOM 0 HB VAL A 43 0.493 -25.339 19.561 1.00 12.22 H new ATOM 0 HG11 VAL A 43 2.009 -26.385 21.236 1.00 73.30 H new ATOM 0 HG12 VAL A 43 2.032 -27.235 19.673 1.00 73.30 H new ATOM 0 HG13 VAL A 43 3.372 -26.150 20.115 1.00 73.30 H new ATOM 0 HG21 VAL A 43 1.531 -24.025 21.391 1.00 23.02 H new ATOM 0 HG22 VAL A 43 2.874 -23.602 20.303 1.00 23.02 H new ATOM 0 HG23 VAL A 43 1.223 -23.048 19.936 1.00 23.02 H new ATOM 746 N SER A 44 0.277 -25.573 16.261 1.00 1.43 N ATOM 747 CA SER A 44 -0.588 -26.474 15.469 1.00 44.05 C ATOM 748 C SER A 44 0.120 -26.892 14.161 1.00 1.54 C ATOM 749 O SER A 44 -0.481 -27.540 13.299 1.00 12.13 O ATOM 750 CB SER A 44 -1.964 -25.795 15.136 1.00 34.11 C ATOM 751 OG SER A 44 -2.263 -24.766 16.074 1.00 4.25 O ATOM 0 H SER A 44 0.144 -24.582 16.060 1.00 1.43 H new ATOM 0 HA SER A 44 -0.780 -27.362 16.071 1.00 44.05 H new ATOM 0 HB2 SER A 44 -1.934 -25.378 14.130 1.00 34.11 H new ATOM 0 HB3 SER A 44 -2.756 -26.544 15.147 1.00 34.11 H new ATOM 0 HG SER A 44 -3.123 -24.356 15.846 1.00 4.25 H new ATOM 757 N GLY A 45 1.410 -26.526 14.031 1.00 3.42 N ATOM 758 CA GLY A 45 2.187 -26.844 12.826 1.00 3.13 C ATOM 759 C GLY A 45 1.998 -25.882 11.648 1.00 62.12 C ATOM 760 O GLY A 45 2.676 -26.027 10.630 1.00 33.24 O ATOM 0 H GLY A 45 1.930 -26.013 14.743 1.00 3.42 H new ATOM 0 HA2 GLY A 45 3.244 -26.864 13.091 1.00 3.13 H new ATOM 0 HA3 GLY A 45 1.922 -27.849 12.498 1.00 3.13 H new ATOM 764 N ALA A 46 1.085 -24.915 11.768 1.00 62.02 N ATOM 765 CA ALA A 46 0.881 -23.909 10.728 1.00 53.43 C ATOM 766 C ALA A 46 1.901 -22.754 10.899 1.00 60.12 C ATOM 767 O ALA A 46 2.080 -22.243 12.012 1.00 75.01 O ATOM 768 CB ALA A 46 -0.578 -23.403 10.751 1.00 15.52 C ATOM 0 H ALA A 46 0.475 -24.809 12.578 1.00 62.02 H new ATOM 0 HA ALA A 46 1.053 -24.358 9.750 1.00 53.43 H new ATOM 0 HB1 ALA A 46 -0.716 -22.654 9.971 1.00 15.52 H new ATOM 0 HB2 ALA A 46 -1.256 -24.238 10.576 1.00 15.52 H new ATOM 0 HB3 ALA A 46 -0.794 -22.959 11.723 1.00 15.52 H new ATOM 774 N ALA A 47 2.573 -22.351 9.803 1.00 62.13 N ATOM 775 CA ALA A 47 3.596 -21.285 9.862 1.00 53.44 C ATOM 776 C ALA A 47 3.028 -20.000 9.249 1.00 2.50 C ATOM 777 O ALA A 47 2.235 -20.080 8.306 1.00 21.52 O ATOM 778 CB ALA A 47 4.927 -21.680 9.161 1.00 11.43 C ATOM 0 H ALA A 47 2.429 -22.743 8.872 1.00 62.13 H new ATOM 0 HA ALA A 47 3.840 -21.124 10.912 1.00 53.44 H new ATOM 0 HB1 ALA A 47 5.637 -20.857 9.238 1.00 11.43 H new ATOM 0 HB2 ALA A 47 5.343 -22.565 9.643 1.00 11.43 H new ATOM 0 HB3 ALA A 47 4.735 -21.896 8.110 1.00 11.43 H new ATOM 784 N PHE A 48 3.412 -18.813 9.758 1.00 15.31 N ATOM 785 CA PHE A 48 2.905 -17.567 9.193 1.00 73.13 C ATOM 786 C PHE A 48 4.078 -16.645 8.899 1.00 43.34 C ATOM 787 O PHE A 48 5.109 -16.712 9.578 1.00 51.20 O ATOM 788 CB PHE A 48 2.012 -16.856 10.237 1.00 55.13 C ATOM 789 CG PHE A 48 1.016 -17.756 10.879 1.00 44.42 C ATOM 790 CD1 PHE A 48 -0.190 -17.992 10.270 1.00 54.31 C ATOM 791 CD2 PHE A 48 1.310 -18.388 12.072 1.00 21.31 C ATOM 792 CE1 PHE A 48 -1.102 -18.842 10.832 1.00 24.31 C ATOM 793 CE2 PHE A 48 0.410 -19.236 12.639 1.00 52.13 C ATOM 794 CZ PHE A 48 -0.804 -19.478 12.021 1.00 43.42 C ATOM 0 H PHE A 48 4.056 -18.700 10.541 1.00 15.31 H new ATOM 0 HA PHE A 48 2.340 -17.788 8.287 1.00 73.13 H new ATOM 0 HB2 PHE A 48 2.646 -16.420 11.009 1.00 55.13 H new ATOM 0 HB3 PHE A 48 1.487 -16.032 9.753 1.00 55.13 H new ATOM 0 HD1 PHE A 48 -0.422 -17.501 9.336 1.00 54.31 H new ATOM 0 HD2 PHE A 48 2.258 -18.208 12.556 1.00 21.31 H new ATOM 0 HE1 PHE A 48 -2.052 -19.015 10.348 1.00 24.31 H new ATOM 0 HE2 PHE A 48 0.644 -19.722 13.575 1.00 52.13 H new ATOM 0 HZ PHE A 48 -1.514 -20.160 12.466 1.00 43.42 H new ATOM 804 N ALA A 49 3.952 -15.812 7.871 1.00 43.53 N ATOM 805 CA ALA A 49 4.910 -14.747 7.687 1.00 31.05 C ATOM 806 C ALA A 49 4.200 -13.386 7.696 1.00 33.33 C ATOM 807 O ALA A 49 3.107 -13.218 7.119 1.00 61.23 O ATOM 808 CB ALA A 49 5.826 -15.011 6.466 1.00 21.33 C ATOM 0 H ALA A 49 3.211 -15.857 7.171 1.00 43.53 H new ATOM 0 HA ALA A 49 5.599 -14.720 8.531 1.00 31.05 H new ATOM 0 HB1 ALA A 49 6.534 -14.189 6.358 1.00 21.33 H new ATOM 0 HB2 ALA A 49 6.371 -15.943 6.615 1.00 21.33 H new ATOM 0 HB3 ALA A 49 5.218 -15.087 5.565 1.00 21.33 H new ATOM 814 N PHE A 50 4.824 -12.447 8.430 1.00 53.42 N ATOM 815 CA PHE A 50 4.294 -11.147 8.715 1.00 23.14 C ATOM 816 C PHE A 50 5.105 -10.111 7.917 1.00 71.23 C ATOM 817 O PHE A 50 6.340 -10.031 8.112 1.00 71.34 O ATOM 818 CB PHE A 50 4.467 -10.933 10.229 1.00 51.32 C ATOM 819 CG PHE A 50 3.418 -10.068 10.870 1.00 12.11 C ATOM 820 CD1 PHE A 50 2.069 -10.348 10.689 1.00 44.41 C ATOM 821 CD2 PHE A 50 3.775 -9.006 11.682 1.00 23.43 C ATOM 822 CE1 PHE A 50 1.100 -9.582 11.303 1.00 14.34 C ATOM 823 CE2 PHE A 50 2.810 -8.244 12.307 1.00 32.12 C ATOM 824 CZ PHE A 50 1.470 -8.530 12.113 1.00 32.02 C ATOM 0 H PHE A 50 5.743 -12.601 8.845 1.00 53.42 H new ATOM 0 HA PHE A 50 3.244 -11.048 8.438 1.00 23.14 H new ATOM 0 HB2 PHE A 50 4.466 -11.906 10.721 1.00 51.32 H new ATOM 0 HB3 PHE A 50 5.445 -10.486 10.409 1.00 51.32 H new ATOM 0 HD1 PHE A 50 1.776 -11.175 10.060 1.00 44.41 H new ATOM 0 HD2 PHE A 50 4.819 -8.772 11.828 1.00 23.43 H new ATOM 0 HE1 PHE A 50 0.055 -9.806 11.150 1.00 14.34 H new ATOM 0 HE2 PHE A 50 3.100 -7.424 12.948 1.00 32.12 H new ATOM 0 HZ PHE A 50 0.714 -7.929 12.596 1.00 32.02 H new ATOM 834 N ILE A 51 4.457 -9.296 7.046 1.00 15.45 N ATOM 835 CA ILE A 51 5.252 -8.538 6.040 1.00 64.14 C ATOM 836 C ILE A 51 4.911 -7.060 6.116 1.00 25.25 C ATOM 837 O ILE A 51 3.870 -6.632 5.647 1.00 43.43 O ATOM 838 CB ILE A 51 5.041 -9.014 4.550 1.00 2.21 C ATOM 839 CG1 ILE A 51 4.238 -10.345 4.439 1.00 24.22 C ATOM 840 CG2 ILE A 51 6.402 -9.208 3.913 1.00 73.33 C ATOM 841 CD1 ILE A 51 3.582 -10.631 3.090 1.00 72.31 C ATOM 0 H ILE A 51 3.448 -9.149 7.014 1.00 15.45 H new ATOM 0 HA ILE A 51 6.294 -8.728 6.295 1.00 64.14 H new ATOM 0 HB ILE A 51 4.458 -8.247 4.040 1.00 2.21 H new ATOM 0 HG12 ILE A 51 4.910 -11.170 4.674 1.00 24.22 H new ATOM 0 HG13 ILE A 51 3.460 -10.340 5.203 1.00 24.22 H new ATOM 0 HG21 ILE A 51 6.277 -9.537 2.881 1.00 73.33 H new ATOM 0 HG22 ILE A 51 6.949 -8.265 3.929 1.00 73.33 H new ATOM 0 HG23 ILE A 51 6.960 -9.961 4.469 1.00 73.33 H new ATOM 0 HD11 ILE A 51 3.054 -11.583 3.137 1.00 72.31 H new ATOM 0 HD12 ILE A 51 2.876 -9.835 2.853 1.00 72.31 H new ATOM 0 HD13 ILE A 51 4.348 -10.679 2.316 1.00 72.31 H new ATOM 853 N GLU A 52 5.835 -6.267 6.622 1.00 61.33 N ATOM 854 CA GLU A 52 5.529 -4.847 6.916 1.00 24.51 C ATOM 855 C GLU A 52 5.815 -3.953 5.683 1.00 55.35 C ATOM 856 O GLU A 52 6.977 -3.682 5.363 1.00 53.33 O ATOM 857 CB GLU A 52 6.336 -4.373 8.138 1.00 64.35 C ATOM 858 CG GLU A 52 6.039 -2.950 8.614 1.00 74.54 C ATOM 859 CD GLU A 52 6.765 -2.627 9.913 1.00 60.50 C ATOM 860 OE1 GLU A 52 6.307 -3.087 10.979 1.00 31.55 O ATOM 861 OE2 GLU A 52 7.799 -1.939 9.875 1.00 11.21 O ATOM 0 H GLU A 52 6.789 -6.556 6.840 1.00 61.33 H new ATOM 0 HA GLU A 52 4.467 -4.762 7.148 1.00 24.51 H new ATOM 0 HB2 GLU A 52 6.149 -5.060 8.963 1.00 64.35 H new ATOM 0 HB3 GLU A 52 7.397 -4.443 7.900 1.00 64.35 H new ATOM 0 HG2 GLU A 52 6.338 -2.239 7.844 1.00 74.54 H new ATOM 0 HG3 GLU A 52 4.965 -2.831 8.758 1.00 74.54 H new ATOM 868 N PHE A 53 4.728 -3.530 4.981 1.00 24.43 N ATOM 869 CA PHE A 53 4.838 -2.802 3.687 1.00 73.23 C ATOM 870 C PHE A 53 4.360 -1.351 3.757 1.00 40.24 C ATOM 871 O PHE A 53 3.377 -1.075 4.439 1.00 74.33 O ATOM 872 CB PHE A 53 4.082 -3.566 2.586 1.00 23.45 C ATOM 873 CG PHE A 53 4.898 -4.649 1.910 1.00 4.13 C ATOM 874 CD1 PHE A 53 5.837 -5.388 2.605 1.00 2.14 C ATOM 875 CD2 PHE A 53 4.740 -4.901 0.568 1.00 44.41 C ATOM 876 CE1 PHE A 53 6.584 -6.352 1.977 1.00 11.11 C ATOM 877 CE2 PHE A 53 5.481 -5.872 -0.055 1.00 50.45 C ATOM 878 CZ PHE A 53 6.413 -6.588 0.643 1.00 63.54 C ATOM 0 H PHE A 53 3.768 -3.681 5.290 1.00 24.43 H new ATOM 0 HA PHE A 53 5.900 -2.758 3.446 1.00 73.23 H new ATOM 0 HB2 PHE A 53 3.189 -4.017 3.019 1.00 23.45 H new ATOM 0 HB3 PHE A 53 3.746 -2.855 1.831 1.00 23.45 H new ATOM 0 HD1 PHE A 53 5.985 -5.204 3.659 1.00 2.14 H new ATOM 0 HD2 PHE A 53 4.024 -4.328 -0.002 1.00 44.41 H new ATOM 0 HE1 PHE A 53 7.308 -6.925 2.538 1.00 11.11 H new ATOM 0 HE2 PHE A 53 5.327 -6.073 -1.105 1.00 50.45 H new ATOM 0 HZ PHE A 53 7.010 -7.336 0.143 1.00 63.54 H new ATOM 888 N GLU A 54 5.046 -0.419 3.044 1.00 31.02 N ATOM 889 CA GLU A 54 4.523 0.979 2.954 1.00 45.45 C ATOM 890 C GLU A 54 3.444 1.139 1.860 1.00 52.33 C ATOM 891 O GLU A 54 2.494 1.902 2.051 1.00 22.11 O ATOM 892 CB GLU A 54 5.607 2.112 2.865 1.00 13.35 C ATOM 893 CG GLU A 54 6.171 2.464 1.473 1.00 72.12 C ATOM 894 CD GLU A 54 7.340 3.423 1.556 1.00 70.12 C ATOM 895 OE1 GLU A 54 8.479 2.966 1.777 1.00 54.21 O ATOM 896 OE2 GLU A 54 7.114 4.651 1.410 1.00 15.12 O ATOM 0 H GLU A 54 5.919 -0.591 2.545 1.00 31.02 H new ATOM 0 HA GLU A 54 4.052 1.131 3.925 1.00 45.45 H new ATOM 0 HB2 GLU A 54 5.178 3.019 3.291 1.00 13.35 H new ATOM 0 HB3 GLU A 54 6.444 1.825 3.502 1.00 13.35 H new ATOM 0 HG2 GLU A 54 6.487 1.551 0.969 1.00 72.12 H new ATOM 0 HG3 GLU A 54 5.382 2.907 0.865 1.00 72.12 H new ATOM 903 N ASP A 55 3.554 0.412 0.734 1.00 55.14 N ATOM 904 CA ASP A 55 2.553 0.512 -0.331 1.00 33.14 C ATOM 905 C ASP A 55 1.877 -0.860 -0.514 1.00 32.23 C ATOM 906 O ASP A 55 2.571 -1.840 -0.797 1.00 21.53 O ATOM 907 CB ASP A 55 3.237 0.844 -1.677 1.00 14.04 C ATOM 908 CG ASP A 55 4.415 1.778 -1.583 1.00 62.33 C ATOM 909 OD1 ASP A 55 4.212 3.008 -1.539 1.00 34.14 O ATOM 910 OD2 ASP A 55 5.558 1.265 -1.569 1.00 23.15 O ATOM 0 H ASP A 55 4.315 -0.240 0.544 1.00 55.14 H new ATOM 0 HA ASP A 55 1.837 1.287 -0.057 1.00 33.14 H new ATOM 0 HB2 ASP A 55 3.567 -0.087 -2.138 1.00 14.04 H new ATOM 0 HB3 ASP A 55 2.496 1.285 -2.344 1.00 14.04 H new ATOM 915 N ALA A 56 0.539 -0.969 -0.337 1.00 72.31 N ATOM 916 CA ALA A 56 -0.165 -2.201 -0.787 1.00 23.34 C ATOM 917 C ALA A 56 -0.432 -2.295 -2.305 1.00 73.04 C ATOM 918 O ALA A 56 -0.356 -3.391 -2.850 1.00 33.12 O ATOM 919 CB ALA A 56 -1.458 -2.496 -0.034 1.00 55.44 C ATOM 0 H ALA A 56 -0.054 -0.259 0.092 1.00 72.31 H new ATOM 0 HA ALA A 56 0.568 -2.968 -0.537 1.00 23.34 H new ATOM 0 HB1 ALA A 56 -1.906 -3.410 -0.424 1.00 55.44 H new ATOM 0 HB2 ALA A 56 -1.241 -2.623 1.027 1.00 55.44 H new ATOM 0 HB3 ALA A 56 -2.153 -1.666 -0.165 1.00 55.44 H new ATOM 925 N ARG A 57 -0.783 -1.163 -2.968 1.00 31.45 N ATOM 926 CA ARG A 57 -1.297 -1.188 -4.382 1.00 51.11 C ATOM 927 C ARG A 57 -0.279 -1.798 -5.410 1.00 32.03 C ATOM 928 O ARG A 57 -0.700 -2.498 -6.325 1.00 73.21 O ATOM 929 CB ARG A 57 -1.863 0.187 -4.878 1.00 42.42 C ATOM 930 CG ARG A 57 -0.824 1.216 -5.351 1.00 3.11 C ATOM 931 CD ARG A 57 -1.420 2.613 -5.482 1.00 3.22 C ATOM 932 NE ARG A 57 -1.688 3.001 -6.865 1.00 21.23 N ATOM 933 CZ ARG A 57 -1.818 4.272 -7.264 1.00 40.25 C ATOM 934 NH1 ARG A 57 -1.695 5.270 -6.383 1.00 13.22 N ATOM 935 NH2 ARG A 57 -2.057 4.550 -8.544 1.00 12.51 N ATOM 0 H ARG A 57 -0.725 -0.229 -2.562 1.00 31.45 H new ATOM 0 HA ARG A 57 -2.146 -1.870 -4.340 1.00 51.11 H new ATOM 0 HB2 ARG A 57 -2.555 -0.003 -5.698 1.00 42.42 H new ATOM 0 HB3 ARG A 57 -2.442 0.632 -4.069 1.00 42.42 H new ATOM 0 HG2 ARG A 57 0.007 1.241 -4.646 1.00 3.11 H new ATOM 0 HG3 ARG A 57 -0.417 0.904 -6.313 1.00 3.11 H new ATOM 0 HD2 ARG A 57 -2.349 2.659 -4.913 1.00 3.22 H new ATOM 0 HD3 ARG A 57 -0.736 3.335 -5.036 1.00 3.22 H new ATOM 0 HE ARG A 57 -1.781 2.264 -7.564 1.00 21.23 H new ATOM 0 HH11 ARG A 57 -1.501 5.064 -5.403 1.00 13.22 H new ATOM 0 HH12 ARG A 57 -1.795 6.237 -6.691 1.00 13.22 H new ATOM 0 HH21 ARG A 57 -2.141 3.794 -9.223 1.00 12.51 H new ATOM 0 HH22 ARG A 57 -2.156 5.519 -8.846 1.00 12.51 H new ATOM 949 N ASP A 58 1.038 -1.496 -5.289 1.00 30.01 N ATOM 950 CA ASP A 58 2.084 -2.216 -6.084 1.00 64.15 C ATOM 951 C ASP A 58 2.310 -3.726 -5.671 1.00 54.30 C ATOM 952 O ASP A 58 2.346 -4.588 -6.552 1.00 14.12 O ATOM 953 CB ASP A 58 3.429 -1.424 -6.082 1.00 71.14 C ATOM 954 CG ASP A 58 3.221 0.070 -6.310 1.00 4.31 C ATOM 955 OD1 ASP A 58 2.997 0.811 -5.320 1.00 70.11 O ATOM 956 OD2 ASP A 58 3.270 0.501 -7.482 1.00 13.40 O ATOM 0 H ASP A 58 1.403 -0.776 -4.665 1.00 30.01 H new ATOM 0 HA ASP A 58 1.691 -2.259 -7.100 1.00 64.15 H new ATOM 0 HB2 ASP A 58 3.937 -1.577 -5.130 1.00 71.14 H new ATOM 0 HB3 ASP A 58 4.083 -1.820 -6.859 1.00 71.14 H new ATOM 961 N ALA A 59 2.486 -4.038 -4.350 1.00 14.21 N ATOM 962 CA ALA A 59 2.552 -5.434 -3.790 1.00 20.52 C ATOM 963 C ALA A 59 1.343 -6.385 -4.179 1.00 33.15 C ATOM 964 O ALA A 59 1.430 -7.633 -4.049 1.00 33.23 O ATOM 965 CB ALA A 59 2.838 -5.413 -2.276 1.00 31.45 C ATOM 0 H ALA A 59 2.588 -3.320 -3.632 1.00 14.21 H new ATOM 0 HA ALA A 59 3.401 -5.901 -4.290 1.00 20.52 H new ATOM 0 HB1 ALA A 59 2.880 -6.435 -1.899 1.00 31.45 H new ATOM 0 HB2 ALA A 59 3.792 -4.919 -2.093 1.00 31.45 H new ATOM 0 HB3 ALA A 59 2.044 -4.870 -1.763 1.00 31.45 H new ATOM 971 N ALA A 60 0.200 -5.765 -4.559 1.00 32.05 N ATOM 972 CA ALA A 60 -1.011 -6.423 -5.095 1.00 24.51 C ATOM 973 C ALA A 60 -0.736 -7.476 -6.214 1.00 14.23 C ATOM 974 O ALA A 60 -1.458 -8.469 -6.215 1.00 15.02 O ATOM 975 CB ALA A 60 -2.045 -5.345 -5.561 1.00 0.42 C ATOM 0 H ALA A 60 0.095 -4.752 -4.497 1.00 32.05 H new ATOM 0 HA ALA A 60 -1.432 -7.002 -4.273 1.00 24.51 H new ATOM 0 HB1 ALA A 60 -2.933 -5.839 -5.954 1.00 0.42 H new ATOM 0 HB2 ALA A 60 -2.323 -4.718 -4.714 1.00 0.42 H new ATOM 0 HB3 ALA A 60 -1.599 -4.726 -6.340 1.00 0.42 H new ATOM 981 N ASP A 61 0.294 -7.308 -7.133 1.00 51.10 N ATOM 982 CA ASP A 61 0.725 -8.437 -8.038 1.00 4.21 C ATOM 983 C ASP A 61 1.037 -9.723 -7.243 1.00 35.50 C ATOM 984 O ASP A 61 0.410 -10.761 -7.496 1.00 51.00 O ATOM 985 CB ASP A 61 1.935 -8.092 -8.946 1.00 40.15 C ATOM 986 CG ASP A 61 1.620 -6.992 -9.952 1.00 10.25 C ATOM 987 OD1 ASP A 61 0.903 -7.276 -10.941 1.00 33.35 O ATOM 988 OD2 ASP A 61 2.101 -5.860 -9.767 1.00 24.53 O ATOM 0 H ASP A 61 0.815 -6.440 -7.258 1.00 51.10 H new ATOM 0 HA ASP A 61 -0.132 -8.606 -8.690 1.00 4.21 H new ATOM 0 HB2 ASP A 61 2.774 -7.780 -8.324 1.00 40.15 H new ATOM 0 HB3 ASP A 61 2.250 -8.988 -9.480 1.00 40.15 H new ATOM 993 N ALA A 62 1.921 -9.653 -6.227 1.00 53.14 N ATOM 994 CA ALA A 62 2.241 -10.854 -5.410 1.00 53.25 C ATOM 995 C ALA A 62 1.044 -11.346 -4.649 1.00 53.30 C ATOM 996 O ALA A 62 0.809 -12.555 -4.624 1.00 13.11 O ATOM 997 CB ALA A 62 3.395 -10.700 -4.410 1.00 71.43 C ATOM 0 H ALA A 62 2.417 -8.805 -5.953 1.00 53.14 H new ATOM 0 HA ALA A 62 2.563 -11.572 -6.164 1.00 53.25 H new ATOM 0 HB1 ALA A 62 3.537 -11.637 -3.872 1.00 71.43 H new ATOM 0 HB2 ALA A 62 4.310 -10.447 -4.946 1.00 71.43 H new ATOM 0 HB3 ALA A 62 3.159 -9.907 -3.701 1.00 71.43 H new ATOM 1003 N ILE A 63 0.273 -10.441 -4.038 1.00 72.21 N ATOM 1004 CA ILE A 63 -0.819 -10.906 -3.196 1.00 71.24 C ATOM 1005 C ILE A 63 -1.961 -11.613 -3.993 1.00 72.34 C ATOM 1006 O ILE A 63 -2.478 -12.613 -3.515 1.00 40.52 O ATOM 1007 CB ILE A 63 -1.311 -9.790 -2.201 1.00 11.44 C ATOM 1008 CG1 ILE A 63 -1.089 -10.273 -0.733 1.00 60.13 C ATOM 1009 CG2 ILE A 63 -2.767 -9.326 -2.456 1.00 1.03 C ATOM 1010 CD1 ILE A 63 -2.354 -10.418 0.104 1.00 54.41 C ATOM 0 H ILE A 63 0.380 -9.429 -4.108 1.00 72.21 H new ATOM 0 HA ILE A 63 -0.415 -11.699 -2.567 1.00 71.24 H new ATOM 0 HB ILE A 63 -0.710 -8.899 -2.379 1.00 11.44 H new ATOM 0 HG12 ILE A 63 -0.578 -11.235 -0.758 1.00 60.13 H new ATOM 0 HG13 ILE A 63 -0.422 -9.570 -0.234 1.00 60.13 H new ATOM 0 HG21 ILE A 63 -3.036 -8.557 -1.732 1.00 1.03 H new ATOM 0 HG22 ILE A 63 -2.848 -8.920 -3.464 1.00 1.03 H new ATOM 0 HG23 ILE A 63 -3.443 -10.175 -2.351 1.00 1.03 H new ATOM 0 HD11 ILE A 63 -2.091 -10.758 1.106 1.00 54.41 H new ATOM 0 HD12 ILE A 63 -2.860 -9.455 0.169 1.00 54.41 H new ATOM 0 HD13 ILE A 63 -3.018 -11.145 -0.363 1.00 54.41 H new ATOM 1022 N LYS A 64 -2.339 -11.117 -5.189 1.00 73.31 N ATOM 1023 CA LYS A 64 -3.207 -11.885 -6.100 1.00 25.43 C ATOM 1024 C LYS A 64 -2.554 -13.162 -6.649 1.00 24.23 C ATOM 1025 O LYS A 64 -3.251 -14.138 -6.910 1.00 1.25 O ATOM 1026 CB LYS A 64 -3.772 -11.038 -7.291 1.00 54.42 C ATOM 1027 CG LYS A 64 -2.756 -10.331 -8.266 1.00 74.45 C ATOM 1028 CD LYS A 64 -2.079 -11.247 -9.325 1.00 42.02 C ATOM 1029 CE LYS A 64 -1.462 -10.471 -10.469 1.00 32.14 C ATOM 1030 NZ LYS A 64 -2.453 -9.638 -11.185 1.00 75.02 N ATOM 0 H LYS A 64 -2.061 -10.201 -5.541 1.00 73.31 H new ATOM 0 HA LYS A 64 -4.041 -12.179 -5.462 1.00 25.43 H new ATOM 0 HB2 LYS A 64 -4.405 -11.692 -7.891 1.00 54.42 H new ATOM 0 HB3 LYS A 64 -4.418 -10.267 -6.871 1.00 54.42 H new ATOM 0 HG2 LYS A 64 -3.281 -9.531 -8.788 1.00 74.45 H new ATOM 0 HG3 LYS A 64 -1.975 -9.862 -7.668 1.00 74.45 H new ATOM 0 HD2 LYS A 64 -1.307 -11.845 -8.840 1.00 42.02 H new ATOM 0 HD3 LYS A 64 -2.818 -11.943 -9.722 1.00 42.02 H new ATOM 0 HE2 LYS A 64 -0.666 -9.834 -10.084 1.00 32.14 H new ATOM 0 HE3 LYS A 64 -1.002 -11.167 -11.170 1.00 32.14 H new ATOM 0 HZ1 LYS A 64 -2.112 -9.443 -12.148 1.00 75.02 H new ATOM 0 HZ2 LYS A 64 -3.360 -10.144 -11.235 1.00 75.02 H new ATOM 0 HZ3 LYS A 64 -2.584 -8.740 -10.676 1.00 75.02 H new ATOM 1044 N GLU A 65 -1.232 -13.155 -6.853 1.00 23.44 N ATOM 1045 CA GLU A 65 -0.556 -14.302 -7.449 1.00 21.03 C ATOM 1046 C GLU A 65 -0.382 -15.440 -6.425 1.00 60.25 C ATOM 1047 O GLU A 65 -0.113 -16.583 -6.803 1.00 32.32 O ATOM 1048 CB GLU A 65 0.750 -13.819 -8.127 1.00 73.53 C ATOM 1049 CG GLU A 65 2.051 -14.156 -7.438 1.00 3.33 C ATOM 1050 CD GLU A 65 3.243 -13.397 -7.963 1.00 10.31 C ATOM 1051 OE1 GLU A 65 3.063 -12.330 -8.591 1.00 42.22 O ATOM 1052 OE2 GLU A 65 4.371 -13.889 -7.764 1.00 73.11 O ATOM 0 H GLU A 65 -0.619 -12.375 -6.616 1.00 23.44 H new ATOM 0 HA GLU A 65 -1.166 -14.747 -8.235 1.00 21.03 H new ATOM 0 HB2 GLU A 65 0.783 -14.237 -9.133 1.00 73.53 H new ATOM 0 HB3 GLU A 65 0.695 -12.736 -8.233 1.00 73.53 H new ATOM 0 HG2 GLU A 65 1.947 -13.955 -6.372 1.00 3.33 H new ATOM 0 HG3 GLU A 65 2.239 -15.224 -7.544 1.00 3.33 H new ATOM 1059 N LYS A 66 -0.520 -15.123 -5.125 1.00 51.43 N ATOM 1060 CA LYS A 66 -0.597 -16.146 -4.107 1.00 45.15 C ATOM 1061 C LYS A 66 -2.048 -16.229 -3.496 1.00 31.52 C ATOM 1062 O LYS A 66 -2.250 -16.914 -2.502 1.00 61.04 O ATOM 1063 CB LYS A 66 0.491 -15.871 -3.015 1.00 70.41 C ATOM 1064 CG LYS A 66 1.839 -15.327 -3.547 1.00 13.22 C ATOM 1065 CD LYS A 66 3.034 -16.260 -3.326 1.00 43.41 C ATOM 1066 CE LYS A 66 4.278 -15.799 -4.102 1.00 73.11 C ATOM 1067 NZ LYS A 66 4.847 -16.897 -4.935 1.00 72.35 N ATOM 0 H LYS A 66 -0.579 -14.168 -4.772 1.00 51.43 H new ATOM 0 HA LYS A 66 -0.395 -17.120 -4.553 1.00 45.15 H new ATOM 0 HB2 LYS A 66 0.088 -15.158 -2.296 1.00 70.41 H new ATOM 0 HB3 LYS A 66 0.680 -16.797 -2.473 1.00 70.41 H new ATOM 0 HG2 LYS A 66 1.741 -15.130 -4.615 1.00 13.22 H new ATOM 0 HG3 LYS A 66 2.046 -14.372 -3.065 1.00 13.22 H new ATOM 0 HD2 LYS A 66 3.267 -16.305 -2.262 1.00 43.41 H new ATOM 0 HD3 LYS A 66 2.767 -17.270 -3.637 1.00 43.41 H new ATOM 0 HE2 LYS A 66 4.016 -14.956 -4.741 1.00 73.11 H new ATOM 0 HE3 LYS A 66 5.034 -15.445 -3.401 1.00 73.11 H new ATOM 0 HZ1 LYS A 66 5.685 -16.549 -5.444 1.00 72.35 H new ATOM 0 HZ2 LYS A 66 5.120 -17.692 -4.322 1.00 72.35 H new ATOM 0 HZ3 LYS A 66 4.134 -17.218 -5.621 1.00 72.35 H new ATOM 1081 N ASP A 67 -3.049 -15.555 -4.146 1.00 61.34 N ATOM 1082 CA ASP A 67 -4.464 -15.469 -3.638 1.00 31.22 C ATOM 1083 C ASP A 67 -5.253 -16.730 -3.913 1.00 61.35 C ATOM 1084 O ASP A 67 -4.870 -17.523 -4.784 1.00 4.22 O ATOM 1085 CB ASP A 67 -5.266 -14.163 -3.914 1.00 42.13 C ATOM 1086 CG ASP A 67 -6.348 -14.221 -5.010 1.00 14.42 C ATOM 1087 OD1 ASP A 67 -7.509 -14.563 -4.687 1.00 3.44 O ATOM 1088 OD2 ASP A 67 -6.044 -13.902 -6.180 1.00 64.52 O ATOM 0 H ASP A 67 -2.903 -15.061 -5.026 1.00 61.34 H new ATOM 0 HA ASP A 67 -4.314 -15.389 -2.561 1.00 31.22 H new ATOM 0 HB2 ASP A 67 -5.744 -13.856 -2.983 1.00 42.13 H new ATOM 0 HB3 ASP A 67 -4.556 -13.380 -4.181 1.00 42.13 H new ATOM 1093 N GLY A 68 -6.349 -16.945 -3.167 1.00 61.04 N ATOM 1094 CA GLY A 68 -6.900 -18.272 -3.098 1.00 31.52 C ATOM 1095 C GLY A 68 -6.871 -18.894 -1.708 1.00 24.24 C ATOM 1096 O GLY A 68 -6.710 -20.108 -1.627 1.00 61.33 O ATOM 0 H GLY A 68 -6.843 -16.234 -2.628 1.00 61.04 H new ATOM 0 HA2 GLY A 68 -7.932 -18.242 -3.448 1.00 31.52 H new ATOM 0 HA3 GLY A 68 -6.349 -18.917 -3.783 1.00 31.52 H new ATOM 1100 N CYS A 69 -6.946 -18.055 -0.613 1.00 31.43 N ATOM 1101 CA CYS A 69 -6.831 -18.570 0.791 1.00 14.50 C ATOM 1102 C CYS A 69 -7.749 -19.757 1.043 1.00 74.51 C ATOM 1103 O CYS A 69 -8.965 -19.695 0.844 1.00 12.14 O ATOM 1104 CB CYS A 69 -7.194 -17.485 1.867 1.00 1.02 C ATOM 1105 SG CYS A 69 -7.328 -18.101 3.575 1.00 65.44 S ATOM 0 H CYS A 69 -7.082 -17.046 -0.680 1.00 31.43 H new ATOM 0 HA CYS A 69 -5.785 -18.862 0.889 1.00 14.50 H new ATOM 0 HB2 CYS A 69 -6.437 -16.701 1.839 1.00 1.02 H new ATOM 0 HB3 CYS A 69 -8.141 -17.023 1.589 1.00 1.02 H new ATOM 0 HG CYS A 69 -7.629 -17.117 4.369 1.00 65.44 H new ATOM 1111 N ASP A 70 -7.108 -20.825 1.528 1.00 51.15 N ATOM 1112 CA ASP A 70 -7.771 -22.104 1.690 1.00 33.33 C ATOM 1113 C ASP A 70 -7.451 -22.765 3.042 1.00 21.22 C ATOM 1114 O ASP A 70 -6.300 -22.690 3.527 1.00 64.11 O ATOM 1115 CB ASP A 70 -7.419 -23.026 0.528 1.00 72.42 C ATOM 1116 CG ASP A 70 -8.657 -23.681 -0.046 1.00 12.42 C ATOM 1117 OD1 ASP A 70 -9.250 -24.552 0.638 1.00 55.11 O ATOM 1118 OD2 ASP A 70 -9.039 -23.334 -1.182 1.00 53.34 O ATOM 0 H ASP A 70 -6.129 -20.820 1.813 1.00 51.15 H new ATOM 0 HA ASP A 70 -8.846 -21.922 1.684 1.00 33.33 H new ATOM 0 HB2 ASP A 70 -6.912 -22.456 -0.251 1.00 72.42 H new ATOM 0 HB3 ASP A 70 -6.723 -23.793 0.867 1.00 72.42 H new ATOM 1123 N PHE A 71 -8.458 -23.472 3.584 1.00 4.00 N ATOM 1124 CA PHE A 71 -8.500 -23.991 4.922 1.00 31.15 C ATOM 1125 C PHE A 71 -9.304 -25.289 4.844 1.00 11.13 C ATOM 1126 O PHE A 71 -10.158 -25.396 3.955 1.00 71.54 O ATOM 1127 CB PHE A 71 -9.130 -23.003 5.912 1.00 11.00 C ATOM 1128 CG PHE A 71 -8.766 -23.279 7.355 1.00 0.34 C ATOM 1129 CD1 PHE A 71 -7.599 -22.746 7.890 1.00 45.01 C ATOM 1130 CD2 PHE A 71 -9.573 -24.071 8.172 1.00 15.14 C ATOM 1131 CE1 PHE A 71 -7.247 -22.986 9.207 1.00 25.55 C ATOM 1132 CE2 PHE A 71 -9.220 -24.311 9.488 1.00 74.24 C ATOM 1133 CZ PHE A 71 -8.057 -23.772 10.003 1.00 54.55 C ATOM 0 H PHE A 71 -9.300 -23.697 3.054 1.00 4.00 H new ATOM 0 HA PHE A 71 -7.492 -24.165 5.297 1.00 31.15 H new ATOM 0 HB2 PHE A 71 -8.816 -21.992 5.653 1.00 11.00 H new ATOM 0 HB3 PHE A 71 -10.214 -23.037 5.806 1.00 11.00 H new ATOM 0 HD1 PHE A 71 -6.958 -22.137 7.270 1.00 45.01 H new ATOM 0 HD2 PHE A 71 -10.481 -24.500 7.774 1.00 15.14 H new ATOM 0 HE1 PHE A 71 -6.341 -22.560 9.611 1.00 25.55 H new ATOM 0 HE2 PHE A 71 -9.855 -24.921 10.114 1.00 74.24 H new ATOM 0 HZ PHE A 71 -7.781 -23.965 11.029 1.00 54.55 H new ATOM 1143 N GLU A 72 -8.966 -26.275 5.690 1.00 60.32 N ATOM 1144 CA GLU A 72 -9.692 -27.564 5.786 1.00 34.44 C ATOM 1145 C GLU A 72 -9.442 -28.494 4.566 1.00 42.32 C ATOM 1146 O GLU A 72 -10.339 -28.797 3.770 1.00 62.40 O ATOM 1147 CB GLU A 72 -11.227 -27.311 6.007 1.00 34.41 C ATOM 1148 CG GLU A 72 -12.063 -28.428 6.646 1.00 50.24 C ATOM 1149 CD GLU A 72 -13.550 -28.176 6.491 1.00 35.22 C ATOM 1150 OE1 GLU A 72 -14.055 -27.187 7.070 1.00 20.00 O ATOM 1151 OE2 GLU A 72 -14.213 -28.969 5.791 1.00 2.11 O ATOM 0 H GLU A 72 -8.177 -26.206 6.333 1.00 60.32 H new ATOM 0 HA GLU A 72 -9.293 -28.092 6.652 1.00 34.44 H new ATOM 0 HB2 GLU A 72 -11.331 -26.421 6.627 1.00 34.41 H new ATOM 0 HB3 GLU A 72 -11.669 -27.078 5.038 1.00 34.41 H new ATOM 0 HG2 GLU A 72 -11.806 -29.383 6.187 1.00 50.24 H new ATOM 0 HG3 GLU A 72 -11.816 -28.507 7.705 1.00 50.24 H new ATOM 1158 N GLY A 73 -8.170 -28.885 4.419 1.00 62.21 N ATOM 1159 CA GLY A 73 -7.756 -29.896 3.434 1.00 52.30 C ATOM 1160 C GLY A 73 -7.202 -29.376 2.113 1.00 70.02 C ATOM 1161 O GLY A 73 -6.587 -30.149 1.369 1.00 30.01 O ATOM 0 H GLY A 73 -7.401 -28.512 4.976 1.00 62.21 H new ATOM 0 HA2 GLY A 73 -6.999 -30.530 3.895 1.00 52.30 H new ATOM 0 HA3 GLY A 73 -8.615 -30.531 3.217 1.00 52.30 H new ATOM 1165 N ASN A 74 -7.377 -28.097 1.805 1.00 44.13 N ATOM 1166 CA ASN A 74 -6.455 -27.440 0.852 1.00 12.30 C ATOM 1167 C ASN A 74 -5.698 -26.412 1.678 1.00 64.41 C ATOM 1168 O ASN A 74 -6.321 -25.604 2.349 1.00 64.15 O ATOM 1169 CB ASN A 74 -7.116 -26.780 -0.428 1.00 33.14 C ATOM 1170 CG ASN A 74 -8.092 -27.665 -1.198 1.00 43.33 C ATOM 1171 OD1 ASN A 74 -8.757 -28.549 -0.665 1.00 23.20 O ATOM 1172 ND2 ASN A 74 -8.201 -27.390 -2.485 1.00 2.11 N ATOM 0 H ASN A 74 -8.116 -27.502 2.178 1.00 44.13 H new ATOM 0 HA ASN A 74 -5.817 -28.203 0.406 1.00 12.30 H new ATOM 0 HB2 ASN A 74 -7.640 -25.876 -0.118 1.00 33.14 H new ATOM 0 HB3 ASN A 74 -6.321 -26.471 -1.107 1.00 33.14 H new ATOM 0 HD21 ASN A 74 -8.852 -27.918 -3.066 1.00 2.11 H new ATOM 0 HD22 ASN A 74 -7.634 -26.649 -2.898 1.00 2.11 H new ATOM 1179 N LYS A 75 -4.365 -26.502 1.735 1.00 3.23 N ATOM 1180 CA LYS A 75 -3.621 -25.594 2.654 1.00 23.14 C ATOM 1181 C LYS A 75 -3.102 -24.354 1.866 1.00 4.01 C ATOM 1182 O LYS A 75 -2.101 -24.504 1.170 1.00 73.15 O ATOM 1183 CB LYS A 75 -2.436 -26.341 3.394 1.00 71.34 C ATOM 1184 CG LYS A 75 -2.393 -26.237 4.956 1.00 14.12 C ATOM 1185 CD LYS A 75 -2.882 -27.520 5.700 1.00 23.21 C ATOM 1186 CE LYS A 75 -4.325 -27.423 6.220 1.00 33.24 C ATOM 1187 NZ LYS A 75 -4.371 -26.781 7.557 1.00 51.31 N ATOM 0 H LYS A 75 -3.793 -27.151 1.194 1.00 3.23 H new ATOM 0 HA LYS A 75 -4.310 -25.257 3.429 1.00 23.14 H new ATOM 0 HB2 LYS A 75 -2.482 -27.397 3.126 1.00 71.34 H new ATOM 0 HB3 LYS A 75 -1.495 -25.954 3.003 1.00 71.34 H new ATOM 0 HG2 LYS A 75 -1.371 -26.019 5.266 1.00 14.12 H new ATOM 0 HG3 LYS A 75 -3.008 -25.393 5.269 1.00 14.12 H new ATOM 0 HD2 LYS A 75 -2.806 -28.372 5.024 1.00 23.21 H new ATOM 0 HD3 LYS A 75 -2.216 -27.718 6.540 1.00 23.21 H new ATOM 0 HE2 LYS A 75 -4.930 -26.850 5.517 1.00 33.24 H new ATOM 0 HE3 LYS A 75 -4.762 -28.420 6.277 1.00 33.24 H new ATOM 0 HZ1 LYS A 75 -5.357 -26.729 7.883 1.00 51.31 H new ATOM 0 HZ2 LYS A 75 -3.813 -27.342 8.231 1.00 51.31 H new ATOM 0 HZ3 LYS A 75 -3.976 -25.821 7.495 1.00 51.31 H new ATOM 1201 N LEU A 76 -3.736 -23.121 1.960 1.00 11.43 N ATOM 1202 CA LEU A 76 -3.178 -21.941 1.196 1.00 21.24 C ATOM 1203 C LEU A 76 -3.677 -20.528 1.667 1.00 54.32 C ATOM 1204 O LEU A 76 -4.387 -19.925 0.918 1.00 62.15 O ATOM 1205 CB LEU A 76 -3.548 -22.067 -0.311 1.00 51.11 C ATOM 1206 CG LEU A 76 -2.407 -22.419 -1.269 1.00 21.34 C ATOM 1207 CD1 LEU A 76 -2.857 -23.499 -2.237 1.00 64.52 C ATOM 1208 CD2 LEU A 76 -1.954 -21.181 -2.026 1.00 74.42 C ATOM 0 H LEU A 76 -4.571 -22.931 2.515 1.00 11.43 H new ATOM 0 HA LEU A 76 -2.105 -21.986 1.385 1.00 21.24 H new ATOM 0 HB2 LEU A 76 -4.323 -22.828 -0.409 1.00 51.11 H new ATOM 0 HB3 LEU A 76 -3.986 -21.123 -0.635 1.00 51.11 H new ATOM 0 HG LEU A 76 -1.564 -22.797 -0.691 1.00 21.34 H new ATOM 0 HD11 LEU A 76 -2.039 -23.744 -2.915 1.00 64.52 H new ATOM 0 HD12 LEU A 76 -3.145 -24.390 -1.680 1.00 64.52 H new ATOM 0 HD13 LEU A 76 -3.710 -23.139 -2.812 1.00 64.52 H new ATOM 0 HD21 LEU A 76 -1.142 -21.446 -2.704 1.00 74.42 H new ATOM 0 HD22 LEU A 76 -2.789 -20.779 -2.600 1.00 74.42 H new ATOM 0 HD23 LEU A 76 -1.605 -20.429 -1.318 1.00 74.42 H new ATOM 1220 N ARG A 77 -3.282 -19.932 2.833 1.00 62.10 N ATOM 1221 CA ARG A 77 -3.870 -18.625 3.285 1.00 44.24 C ATOM 1222 C ARG A 77 -2.959 -17.404 2.878 1.00 45.20 C ATOM 1223 O ARG A 77 -1.814 -17.303 3.314 1.00 24.45 O ATOM 1224 CB ARG A 77 -4.148 -18.685 4.844 1.00 40.03 C ATOM 1225 CG ARG A 77 -3.841 -17.403 5.679 1.00 33.41 C ATOM 1226 CD ARG A 77 -4.678 -16.144 5.374 1.00 63.04 C ATOM 1227 NE ARG A 77 -5.888 -16.061 6.209 1.00 55.40 N ATOM 1228 CZ ARG A 77 -6.139 -15.091 7.107 1.00 63.54 C ATOM 1229 NH1 ARG A 77 -5.277 -14.097 7.299 1.00 62.04 N ATOM 1230 NH2 ARG A 77 -7.272 -15.115 7.806 1.00 40.44 N ATOM 0 H ARG A 77 -2.580 -20.320 3.463 1.00 62.10 H new ATOM 0 HA ARG A 77 -4.821 -18.465 2.776 1.00 44.24 H new ATOM 0 HB2 ARG A 77 -5.198 -18.938 4.989 1.00 40.03 H new ATOM 0 HB3 ARG A 77 -3.562 -19.505 5.259 1.00 40.03 H new ATOM 0 HG2 ARG A 77 -3.971 -17.648 6.733 1.00 33.41 H new ATOM 0 HG3 ARG A 77 -2.790 -17.152 5.538 1.00 33.41 H new ATOM 0 HD2 ARG A 77 -4.067 -15.256 5.535 1.00 63.04 H new ATOM 0 HD3 ARG A 77 -4.965 -16.147 4.322 1.00 63.04 H new ATOM 0 HE ARG A 77 -6.589 -16.794 6.098 1.00 55.40 H new ATOM 0 HH11 ARG A 77 -4.411 -14.062 6.762 1.00 62.04 H new ATOM 0 HH12 ARG A 77 -5.482 -13.369 7.984 1.00 62.04 H new ATOM 0 HH21 ARG A 77 -7.946 -15.867 7.660 1.00 40.44 H new ATOM 0 HH22 ARG A 77 -7.466 -14.382 8.488 1.00 40.44 H new ATOM 1244 N VAL A 78 -3.458 -16.455 2.033 1.00 74.23 N ATOM 1245 CA VAL A 78 -2.713 -15.221 1.759 1.00 44.35 C ATOM 1246 C VAL A 78 -3.701 -14.010 1.919 1.00 61.32 C ATOM 1247 O VAL A 78 -4.703 -13.988 1.203 1.00 65.11 O ATOM 1248 CB VAL A 78 -1.989 -15.267 0.341 1.00 53.34 C ATOM 1249 CG1 VAL A 78 -1.495 -13.893 -0.083 1.00 24.14 C ATOM 1250 CG2 VAL A 78 -0.786 -16.240 0.386 1.00 74.23 C ATOM 0 H VAL A 78 -4.352 -16.530 1.548 1.00 74.23 H new ATOM 0 HA VAL A 78 -1.900 -15.103 2.476 1.00 44.35 H new ATOM 0 HB VAL A 78 -2.724 -15.612 -0.386 1.00 53.34 H new ATOM 0 HG11 VAL A 78 -1.007 -13.966 -1.055 1.00 24.14 H new ATOM 0 HG12 VAL A 78 -2.340 -13.208 -0.152 1.00 24.14 H new ATOM 0 HG13 VAL A 78 -0.783 -13.519 0.653 1.00 24.14 H new ATOM 0 HG21 VAL A 78 -0.300 -16.263 -0.589 1.00 74.23 H new ATOM 0 HG22 VAL A 78 -0.074 -15.903 1.139 1.00 74.23 H new ATOM 0 HG23 VAL A 78 -1.136 -17.240 0.640 1.00 74.23 H new ATOM 1260 N GLU A 79 -3.471 -13.019 2.858 1.00 74.01 N ATOM 1261 CA GLU A 79 -4.477 -11.968 3.112 1.00 40.04 C ATOM 1262 C GLU A 79 -3.846 -10.615 3.487 1.00 12.34 C ATOM 1263 O GLU A 79 -2.919 -10.524 4.329 1.00 73.25 O ATOM 1264 CB GLU A 79 -5.432 -12.488 4.220 1.00 50.43 C ATOM 1265 CG GLU A 79 -6.381 -11.481 4.920 1.00 33.42 C ATOM 1266 CD GLU A 79 -7.361 -10.740 3.998 1.00 42.20 C ATOM 1267 OE1 GLU A 79 -7.293 -10.908 2.761 1.00 33.25 O ATOM 1268 OE2 GLU A 79 -8.216 -9.986 4.524 1.00 13.12 O ATOM 0 H GLU A 79 -2.624 -12.945 3.421 1.00 74.01 H new ATOM 0 HA GLU A 79 -5.033 -11.772 2.195 1.00 40.04 H new ATOM 0 HB2 GLU A 79 -6.048 -13.273 3.783 1.00 50.43 H new ATOM 0 HB3 GLU A 79 -4.820 -12.955 4.991 1.00 50.43 H new ATOM 0 HG2 GLU A 79 -6.956 -12.016 5.676 1.00 33.42 H new ATOM 0 HG3 GLU A 79 -5.775 -10.742 5.444 1.00 33.42 H new ATOM 1275 N VAL A 80 -4.384 -9.560 2.849 1.00 45.32 N ATOM 1276 CA VAL A 80 -4.086 -8.188 3.210 1.00 42.42 C ATOM 1277 C VAL A 80 -5.096 -7.624 4.203 1.00 34.00 C ATOM 1278 O VAL A 80 -6.293 -7.586 3.925 1.00 42.31 O ATOM 1279 CB VAL A 80 -4.031 -7.217 2.003 1.00 2.32 C ATOM 1280 CG1 VAL A 80 -2.626 -7.115 1.449 1.00 52.31 C ATOM 1281 CG2 VAL A 80 -5.023 -7.588 0.898 1.00 72.35 C ATOM 0 H VAL A 80 -5.036 -9.649 2.070 1.00 45.32 H new ATOM 0 HA VAL A 80 -3.094 -8.247 3.658 1.00 42.42 H new ATOM 0 HB VAL A 80 -4.329 -6.239 2.380 1.00 2.32 H new ATOM 0 HG11 VAL A 80 -2.617 -6.427 0.603 1.00 52.31 H new ATOM 0 HG12 VAL A 80 -1.955 -6.745 2.224 1.00 52.31 H new ATOM 0 HG13 VAL A 80 -2.292 -8.099 1.120 1.00 52.31 H new ATOM 0 HG21 VAL A 80 -4.940 -6.873 0.079 1.00 72.35 H new ATOM 0 HG22 VAL A 80 -4.800 -8.589 0.530 1.00 72.35 H new ATOM 0 HG23 VAL A 80 -6.037 -7.566 1.297 1.00 72.35 H new ATOM 1291 N PRO A 81 -4.625 -7.085 5.336 1.00 72.20 N ATOM 1292 CA PRO A 81 -5.452 -6.239 6.199 1.00 21.34 C ATOM 1293 C PRO A 81 -5.432 -4.766 5.747 1.00 33.00 C ATOM 1294 O PRO A 81 -5.670 -3.845 6.534 1.00 13.13 O ATOM 1295 CB PRO A 81 -4.818 -6.411 7.581 1.00 30.23 C ATOM 1296 CG PRO A 81 -3.468 -7.028 7.370 1.00 71.12 C ATOM 1297 CD PRO A 81 -3.288 -7.297 5.897 1.00 10.01 C ATOM 0 HA PRO A 81 -6.505 -6.521 6.177 1.00 21.34 H new ATOM 0 HB2 PRO A 81 -4.728 -5.449 8.086 1.00 30.23 H new ATOM 0 HB3 PRO A 81 -5.438 -7.047 8.213 1.00 30.23 H new ATOM 0 HG2 PRO A 81 -2.686 -6.360 7.731 1.00 71.12 H new ATOM 0 HG3 PRO A 81 -3.383 -7.955 7.937 1.00 71.12 H new ATOM 0 HD2 PRO A 81 -2.557 -6.621 5.454 1.00 10.01 H new ATOM 0 HD3 PRO A 81 -2.935 -8.312 5.716 1.00 10.01 H new ATOM 1305 N PHE A 82 -5.167 -4.563 4.455 1.00 52.44 N ATOM 1306 CA PHE A 82 -5.197 -3.210 3.855 1.00 53.24 C ATOM 1307 C PHE A 82 -6.367 -3.087 2.905 1.00 15.14 C ATOM 1308 O PHE A 82 -6.893 -1.987 2.719 1.00 75.30 O ATOM 1309 CB PHE A 82 -3.908 -2.794 3.085 1.00 35.55 C ATOM 1310 CG PHE A 82 -2.608 -3.127 3.757 1.00 61.24 C ATOM 1311 CD1 PHE A 82 -2.362 -2.745 5.056 1.00 73.44 C ATOM 1312 CD2 PHE A 82 -1.611 -3.788 3.071 1.00 14.44 C ATOM 1313 CE1 PHE A 82 -1.169 -3.022 5.645 1.00 61.24 C ATOM 1314 CE2 PHE A 82 -0.406 -4.048 3.666 1.00 23.21 C ATOM 1315 CZ PHE A 82 -0.190 -3.666 4.945 1.00 33.20 C ATOM 0 H PHE A 82 -4.930 -5.308 3.800 1.00 52.44 H new ATOM 0 HA PHE A 82 -5.285 -2.537 4.708 1.00 53.24 H new ATOM 0 HB2 PHE A 82 -3.922 -3.273 2.106 1.00 35.55 H new ATOM 0 HB3 PHE A 82 -3.941 -1.718 2.914 1.00 35.55 H new ATOM 0 HD1 PHE A 82 -3.124 -2.220 5.613 1.00 73.44 H new ATOM 0 HD2 PHE A 82 -1.783 -4.104 2.053 1.00 14.44 H new ATOM 0 HE1 PHE A 82 -0.995 -2.732 6.671 1.00 61.24 H new ATOM 0 HE2 PHE A 82 0.371 -4.557 3.115 1.00 23.21 H new ATOM 0 HZ PHE A 82 0.761 -3.871 5.414 1.00 33.20 H new ATOM 1325 N ASN A 83 -6.765 -4.235 2.327 1.00 41.14 N ATOM 1326 CA ASN A 83 -7.791 -4.305 1.250 1.00 65.30 C ATOM 1327 C ASN A 83 -7.451 -3.375 0.058 1.00 40.34 C ATOM 1328 O ASN A 83 -8.260 -2.514 -0.287 1.00 11.43 O ATOM 1329 CB ASN A 83 -9.225 -3.976 1.767 1.00 63.13 C ATOM 1330 CG ASN A 83 -9.857 -5.051 2.649 1.00 32.42 C ATOM 1331 OD1 ASN A 83 -9.062 -5.781 3.421 1.00 51.20 O flip ATOM 1332 ND2 ASN A 83 -11.078 -5.209 2.650 1.00 74.11 N flip ATOM 0 H ASN A 83 -6.388 -5.146 2.588 1.00 41.14 H new ATOM 0 HA ASN A 83 -7.778 -5.339 0.906 1.00 65.30 H new ATOM 0 HB2 ASN A 83 -9.187 -3.043 2.329 1.00 63.13 H new ATOM 0 HB3 ASN A 83 -9.874 -3.805 0.908 1.00 63.13 H new ATOM 0 HD21 ASN A 83 -11.667 -4.635 2.047 1.00 74.11 H new ATOM 0 HD22 ASN A 83 -11.500 -5.914 3.254 1.00 74.11 H new