USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 91 HIS : no HE2:sc= 0.824 K(o=0.82,f=-6.9!) USER MOD Single : A 14 SER OG : rot 40:sc= 0.0452 USER MOD Single : A 16 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.8!) USER MOD Single : A 18 HIS : no HD1:sc= -0.553 K(o=-0.55,f=-1.3) USER MOD Single : A 20 THR OG1 : rot 60:sc= 0.509 USER MOD Single : A 21 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -116:sc= 1.25 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 157:sc= -0.213 (180deg=-0.822) USER MOD Single : A 38 SER OG : rot -97:sc= 1.26 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0232 (180deg=-0.206) USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= -0.715 (180deg=-1.66!) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0141 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.019) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -111:sc= -1.06 (180deg=-1.43) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -1:sc= 0.203! USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= 0.921 (180deg=-0.879) USER MOD Single : A 73 SER OG : rot -24:sc= 0.296 USER MOD Single : A 76 SER OG : rot -68:sc= 0.8 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N ASP A 13 2.629 -14.427 -6.246 1.00 14.12 N ATOM 184 CA ASP A 13 3.015 -13.240 -5.497 1.00 15.41 C ATOM 185 C ASP A 13 2.195 -12.031 -5.946 1.00 10.13 C ATOM 186 O ASP A 13 2.396 -11.487 -7.030 1.00 22.52 O ATOM 187 CB ASP A 13 4.523 -12.966 -5.643 1.00 43.13 C ATOM 188 CG ASP A 13 4.960 -12.717 -7.077 1.00 50.02 C ATOM 189 OD1 ASP A 13 4.850 -13.645 -7.911 1.00 23.44 O ATOM 190 OD2 ASP A 13 5.408 -11.590 -7.380 1.00 53.44 O ATOM 0 HA ASP A 13 2.807 -13.419 -4.442 1.00 15.41 H new ATOM 0 HB2 ASP A 13 4.787 -12.100 -5.036 1.00 43.13 H new ATOM 0 HB3 ASP A 13 5.078 -13.815 -5.245 1.00 43.13 H new ATOM 195 N SER A 14 1.236 -11.639 -5.121 1.00 4.42 N ATOM 196 CA SER A 14 0.401 -10.482 -5.415 1.00 10.31 C ATOM 197 C SER A 14 -0.377 -10.047 -4.179 1.00 22.54 C ATOM 198 O SER A 14 -1.141 -10.828 -3.607 1.00 73.02 O ATOM 199 CB SER A 14 -0.559 -10.800 -6.570 1.00 55.45 C ATOM 200 OG SER A 14 -1.197 -12.052 -6.373 1.00 33.02 O ATOM 0 H SER A 14 1.016 -12.105 -4.241 1.00 4.42 H new ATOM 0 HA SER A 14 1.049 -9.658 -5.715 1.00 10.31 H new ATOM 0 HB2 SER A 14 -1.310 -10.014 -6.650 1.00 55.45 H new ATOM 0 HB3 SER A 14 -0.009 -10.812 -7.511 1.00 55.45 H new ATOM 0 HG SER A 14 -1.427 -12.157 -5.426 1.00 33.02 H new ATOM 206 N VAL A 15 -0.161 -8.811 -3.753 1.00 21.01 N ATOM 207 CA VAL A 15 -0.900 -8.253 -2.631 1.00 63.02 C ATOM 208 C VAL A 15 -1.697 -7.029 -3.068 1.00 5.31 C ATOM 209 O VAL A 15 -1.258 -6.267 -3.933 1.00 32.33 O ATOM 210 CB VAL A 15 0.026 -7.873 -1.451 1.00 60.24 C ATOM 211 CG1 VAL A 15 0.690 -9.108 -0.864 1.00 21.35 C ATOM 212 CG2 VAL A 15 1.075 -6.858 -1.879 1.00 33.24 C ATOM 0 H VAL A 15 0.520 -8.175 -4.168 1.00 21.01 H new ATOM 0 HA VAL A 15 -1.582 -9.030 -2.286 1.00 63.02 H new ATOM 0 HB VAL A 15 -0.593 -7.415 -0.680 1.00 60.24 H new ATOM 0 HG11 VAL A 15 1.336 -8.815 -0.036 1.00 21.35 H new ATOM 0 HG12 VAL A 15 -0.075 -9.795 -0.502 1.00 21.35 H new ATOM 0 HG13 VAL A 15 1.286 -9.601 -1.632 1.00 21.35 H new ATOM 0 HG21 VAL A 15 1.710 -6.611 -1.029 1.00 33.24 H new ATOM 0 HG22 VAL A 15 1.685 -7.280 -2.677 1.00 33.24 H new ATOM 0 HG23 VAL A 15 0.582 -5.955 -2.238 1.00 33.24 H new ATOM 222 N HIS A 16 -2.876 -6.864 -2.488 1.00 64.34 N ATOM 223 CA HIS A 16 -3.726 -5.721 -2.785 1.00 21.13 C ATOM 224 C HIS A 16 -3.399 -4.565 -1.858 1.00 72.32 C ATOM 225 O HIS A 16 -3.939 -4.472 -0.758 1.00 11.31 O ATOM 226 CB HIS A 16 -5.210 -6.070 -2.628 1.00 43.40 C ATOM 227 CG HIS A 16 -5.765 -6.968 -3.686 1.00 53.34 C ATOM 228 ND1 HIS A 16 -6.198 -8.250 -3.432 1.00 11.31 N ATOM 229 CD2 HIS A 16 -6.011 -6.745 -4.995 1.00 71.35 C ATOM 230 CE1 HIS A 16 -6.683 -8.773 -4.538 1.00 61.32 C ATOM 231 NE2 HIS A 16 -6.588 -7.881 -5.507 1.00 23.43 N ATOM 0 H HIS A 16 -3.268 -7.512 -1.805 1.00 64.34 H new ATOM 0 HA HIS A 16 -3.536 -5.437 -3.820 1.00 21.13 H new ATOM 0 HB2 HIS A 16 -5.355 -6.545 -1.658 1.00 43.40 H new ATOM 0 HB3 HIS A 16 -5.786 -5.145 -2.620 1.00 43.40 H new ATOM 0 HD1 HIS A 16 -6.150 -8.721 -2.528 1.00 11.31 H new ATOM 0 HD2 HIS A 16 -5.794 -5.838 -5.540 1.00 71.35 H new ATOM 0 HE1 HIS A 16 -7.091 -9.768 -4.637 1.00 61.32 H new ATOM 240 N LEU A 17 -2.502 -3.699 -2.280 1.00 3.22 N ATOM 241 CA LEU A 17 -2.214 -2.506 -1.511 1.00 34.42 C ATOM 242 C LEU A 17 -3.314 -1.479 -1.744 1.00 33.24 C ATOM 243 O LEU A 17 -3.280 -0.728 -2.717 1.00 31.41 O ATOM 244 CB LEU A 17 -0.844 -1.932 -1.876 1.00 64.34 C ATOM 245 CG LEU A 17 0.348 -2.829 -1.532 1.00 62.52 C ATOM 246 CD1 LEU A 17 1.655 -2.140 -1.885 1.00 22.21 C ATOM 247 CD2 LEU A 17 0.330 -3.202 -0.056 1.00 64.34 C ATOM 0 H LEU A 17 -1.965 -3.796 -3.142 1.00 3.22 H new ATOM 0 HA LEU A 17 -2.185 -2.765 -0.453 1.00 34.42 H new ATOM 0 HB2 LEU A 17 -0.827 -1.726 -2.946 1.00 64.34 H new ATOM 0 HB3 LEU A 17 -0.720 -0.977 -1.365 1.00 64.34 H new ATOM 0 HG LEU A 17 0.268 -3.743 -2.121 1.00 62.52 H new ATOM 0 HD11 LEU A 17 2.490 -2.793 -1.633 1.00 22.21 H new ATOM 0 HD12 LEU A 17 1.674 -1.922 -2.953 1.00 22.21 H new ATOM 0 HD13 LEU A 17 1.739 -1.210 -1.323 1.00 22.21 H new ATOM 0 HD21 LEU A 17 1.185 -3.840 0.169 1.00 64.34 H new ATOM 0 HD22 LEU A 17 0.384 -2.297 0.549 1.00 64.34 H new ATOM 0 HD23 LEU A 17 -0.592 -3.737 0.173 1.00 64.34 H new ATOM 259 N HIS A 18 -4.314 -1.489 -0.867 1.00 54.23 N ATOM 260 CA HIS A 18 -5.467 -0.607 -1.006 1.00 12.43 C ATOM 261 C HIS A 18 -5.107 0.822 -0.639 1.00 74.21 C ATOM 262 O HIS A 18 -5.329 1.250 0.494 1.00 75.44 O ATOM 263 CB HIS A 18 -6.639 -1.070 -0.129 1.00 1.35 C ATOM 264 CG HIS A 18 -7.281 -2.349 -0.568 1.00 65.31 C ATOM 265 ND1 HIS A 18 -8.434 -2.394 -1.321 1.00 34.12 N ATOM 266 CD2 HIS A 18 -6.935 -3.636 -0.341 1.00 2.05 C ATOM 267 CE1 HIS A 18 -8.767 -3.652 -1.536 1.00 52.22 C ATOM 268 NE2 HIS A 18 -7.872 -4.426 -0.954 1.00 62.13 N ATOM 0 H HIS A 18 -4.348 -2.100 -0.051 1.00 54.23 H new ATOM 0 HA HIS A 18 -5.771 -0.647 -2.052 1.00 12.43 H new ATOM 0 HB2 HIS A 18 -6.284 -1.190 0.895 1.00 1.35 H new ATOM 0 HB3 HIS A 18 -7.396 -0.286 -0.114 1.00 1.35 H new ATOM 0 HD2 HIS A 18 -6.078 -3.978 0.220 1.00 2.05 H new ATOM 0 HE1 HIS A 18 -9.627 -3.991 -2.094 1.00 52.22 H new ATOM 0 HE2 HIS A 18 -7.876 -5.446 -0.959 1.00 62.13 H new ATOM 277 N ILE A 19 -4.525 1.546 -1.581 1.00 35.15 N ATOM 278 CA ILE A 19 -4.216 2.949 -1.375 1.00 53.04 C ATOM 279 C ILE A 19 -5.505 3.730 -1.148 1.00 11.31 C ATOM 280 O ILE A 19 -6.329 3.864 -2.051 1.00 70.44 O ATOM 281 CB ILE A 19 -3.445 3.543 -2.573 1.00 30.50 C ATOM 282 CG1 ILE A 19 -2.159 2.746 -2.827 1.00 64.21 C ATOM 283 CG2 ILE A 19 -3.129 5.012 -2.327 1.00 43.14 C ATOM 284 CD1 ILE A 19 -1.408 3.181 -4.068 1.00 43.34 C ATOM 0 H ILE A 19 -4.257 1.184 -2.496 1.00 35.15 H new ATOM 0 HA ILE A 19 -3.577 3.028 -0.496 1.00 53.04 H new ATOM 0 HB ILE A 19 -4.073 3.473 -3.461 1.00 30.50 H new ATOM 0 HG12 ILE A 19 -1.503 2.847 -1.962 1.00 64.21 H new ATOM 0 HG13 ILE A 19 -2.409 1.689 -2.916 1.00 64.21 H new ATOM 0 HG21 ILE A 19 -2.585 5.415 -3.181 1.00 43.14 H new ATOM 0 HG22 ILE A 19 -4.058 5.567 -2.193 1.00 43.14 H new ATOM 0 HG23 ILE A 19 -2.517 5.107 -1.430 1.00 43.14 H new ATOM 0 HD11 ILE A 19 -0.511 2.573 -4.182 1.00 43.34 H new ATOM 0 HD12 ILE A 19 -2.046 3.054 -4.943 1.00 43.34 H new ATOM 0 HD13 ILE A 19 -1.126 4.230 -3.974 1.00 43.34 H new ATOM 296 N THR A 20 -5.686 4.210 0.069 1.00 23.35 N ATOM 297 CA THR A 20 -6.909 4.895 0.447 1.00 41.50 C ATOM 298 C THR A 20 -6.594 6.299 0.957 1.00 54.53 C ATOM 299 O THR A 20 -5.587 6.513 1.634 1.00 22.33 O ATOM 300 CB THR A 20 -7.658 4.101 1.539 1.00 41.20 C ATOM 301 OG1 THR A 20 -7.653 2.705 1.204 1.00 3.43 O ATOM 302 CG2 THR A 20 -9.095 4.580 1.677 1.00 31.22 C ATOM 0 H THR A 20 -4.996 4.137 0.817 1.00 23.35 H new ATOM 0 HA THR A 20 -7.545 4.970 -0.435 1.00 41.50 H new ATOM 0 HB THR A 20 -7.148 4.261 2.489 1.00 41.20 H new ATOM 0 HG1 THR A 20 -6.728 2.385 1.149 1.00 3.43 H new ATOM 0 HG21 THR A 20 -9.598 4.003 2.453 1.00 31.22 H new ATOM 0 HG22 THR A 20 -9.102 5.636 1.948 1.00 31.22 H new ATOM 0 HG23 THR A 20 -9.616 4.445 0.729 1.00 31.22 H new ATOM 310 N HIS A 21 -7.449 7.253 0.624 1.00 60.00 N ATOM 311 CA HIS A 21 -7.237 8.634 1.023 1.00 53.44 C ATOM 312 C HIS A 21 -7.979 8.942 2.315 1.00 3.33 C ATOM 313 O HIS A 21 -8.808 8.156 2.765 1.00 50.01 O ATOM 314 CB HIS A 21 -7.693 9.587 -0.085 1.00 33.01 C ATOM 315 CG HIS A 21 -6.566 10.338 -0.722 1.00 2.43 C ATOM 316 ND1 HIS A 21 -6.589 11.700 -0.925 1.00 11.24 N ATOM 317 CD2 HIS A 21 -5.381 9.909 -1.213 1.00 2.41 C ATOM 318 CE1 HIS A 21 -5.470 12.077 -1.508 1.00 12.55 C ATOM 319 NE2 HIS A 21 -4.719 11.012 -1.695 1.00 2.25 N ATOM 0 H HIS A 21 -8.296 7.096 0.078 1.00 60.00 H new ATOM 0 HA HIS A 21 -6.170 8.778 1.194 1.00 53.44 H new ATOM 0 HB2 HIS A 21 -8.219 9.017 -0.851 1.00 33.01 H new ATOM 0 HB3 HIS A 21 -8.407 10.299 0.329 1.00 33.01 H new ATOM 0 HD2 HIS A 21 -5.022 8.890 -1.224 1.00 2.41 H new ATOM 0 HE1 HIS A 21 -5.212 13.088 -1.786 1.00 12.55 H new ATOM 0 HE2 HIS A 21 -3.795 11.007 -2.128 1.00 2.25 H new ATOM 328 N ALA A 22 -7.654 10.074 2.917 1.00 22.31 N ATOM 329 CA ALA A 22 -8.326 10.519 4.127 1.00 61.45 C ATOM 330 C ALA A 22 -9.628 11.229 3.780 1.00 51.41 C ATOM 331 O ALA A 22 -10.669 10.975 4.388 1.00 24.14 O ATOM 332 CB ALA A 22 -7.416 11.430 4.936 1.00 42.22 C ATOM 0 H ALA A 22 -6.925 10.705 2.585 1.00 22.31 H new ATOM 0 HA ALA A 22 -8.563 9.646 4.735 1.00 61.45 H new ATOM 0 HB1 ALA A 22 -7.935 11.754 5.838 1.00 42.22 H new ATOM 0 HB2 ALA A 22 -6.511 10.888 5.212 1.00 42.22 H new ATOM 0 HB3 ALA A 22 -7.149 12.301 4.338 1.00 42.22 H new ATOM 338 N ASN A 23 -9.562 12.106 2.788 1.00 43.42 N ATOM 339 CA ASN A 23 -10.736 12.840 2.337 1.00 4.22 C ATOM 340 C ASN A 23 -11.679 11.919 1.573 1.00 24.23 C ATOM 341 O ASN A 23 -12.849 11.770 1.932 1.00 45.42 O ATOM 342 CB ASN A 23 -10.316 14.005 1.445 1.00 54.21 C ATOM 343 CG ASN A 23 -11.493 14.843 0.989 1.00 72.21 C ATOM 344 OD1 ASN A 23 -12.115 14.558 -0.031 1.00 53.25 O ATOM 345 ND2 ASN A 23 -11.789 15.892 1.734 1.00 73.04 N ATOM 0 H ASN A 23 -8.706 12.327 2.279 1.00 43.42 H new ATOM 0 HA ASN A 23 -11.257 13.229 3.212 1.00 4.22 H new ATOM 0 HB2 ASN A 23 -9.613 14.637 1.987 1.00 54.21 H new ATOM 0 HB3 ASN A 23 -9.790 13.618 0.572 1.00 54.21 H new ATOM 0 HD21 ASN A 23 -12.562 16.503 1.470 1.00 73.04 H new ATOM 0 HD22 ASN A 23 -11.245 16.091 2.574 1.00 73.04 H new ATOM 352 N LEU A 24 -11.161 11.306 0.515 1.00 15.41 N ATOM 353 CA LEU A 24 -11.940 10.374 -0.289 1.00 0.50 C ATOM 354 C LEU A 24 -12.103 9.048 0.441 1.00 62.32 C ATOM 355 O LEU A 24 -11.174 8.242 0.490 1.00 62.23 O ATOM 356 CB LEU A 24 -11.271 10.137 -1.646 1.00 50.25 C ATOM 357 CG LEU A 24 -11.146 11.374 -2.539 1.00 63.42 C ATOM 358 CD1 LEU A 24 -10.402 11.033 -3.819 1.00 70.44 C ATOM 359 CD2 LEU A 24 -12.518 11.948 -2.858 1.00 24.12 C ATOM 0 H LEU A 24 -10.202 11.439 0.194 1.00 15.41 H new ATOM 0 HA LEU A 24 -12.924 10.813 -0.454 1.00 0.50 H new ATOM 0 HB2 LEU A 24 -10.274 9.731 -1.475 1.00 50.25 H new ATOM 0 HB3 LEU A 24 -11.837 9.377 -2.184 1.00 50.25 H new ATOM 0 HG LEU A 24 -10.576 12.130 -1.998 1.00 63.42 H new ATOM 0 HD11 LEU A 24 -10.322 11.924 -4.442 1.00 70.44 H new ATOM 0 HD12 LEU A 24 -9.403 10.671 -3.574 1.00 70.44 H new ATOM 0 HD13 LEU A 24 -10.946 10.259 -4.361 1.00 70.44 H new ATOM 0 HD21 LEU A 24 -12.406 12.826 -3.494 1.00 24.12 H new ATOM 0 HD22 LEU A 24 -13.114 11.198 -3.377 1.00 24.12 H new ATOM 0 HD23 LEU A 24 -13.018 12.232 -1.932 1.00 24.12 H new ATOM 371 N LYS A 25 -13.283 8.843 1.018 1.00 53.45 N ATOM 372 CA LYS A 25 -13.587 7.613 1.738 1.00 2.12 C ATOM 373 C LYS A 25 -13.562 6.411 0.793 1.00 72.15 C ATOM 374 O LYS A 25 -12.874 5.419 1.044 1.00 11.55 O ATOM 375 CB LYS A 25 -14.958 7.731 2.409 1.00 30.44 C ATOM 376 CG LYS A 25 -15.394 6.480 3.157 1.00 32.12 C ATOM 377 CD LYS A 25 -14.453 6.140 4.303 1.00 72.14 C ATOM 378 CE LYS A 25 -14.905 4.880 5.023 1.00 33.32 C ATOM 379 NZ LYS A 25 -13.991 4.505 6.129 1.00 2.24 N ATOM 0 H LYS A 25 -14.048 9.518 1.000 1.00 53.45 H new ATOM 0 HA LYS A 25 -12.826 7.460 2.503 1.00 2.12 H new ATOM 0 HB2 LYS A 25 -14.939 8.569 3.105 1.00 30.44 H new ATOM 0 HB3 LYS A 25 -15.703 7.965 1.649 1.00 30.44 H new ATOM 0 HG2 LYS A 25 -16.402 6.624 3.547 1.00 32.12 H new ATOM 0 HG3 LYS A 25 -15.438 5.640 2.463 1.00 32.12 H new ATOM 0 HD2 LYS A 25 -13.442 6.001 3.919 1.00 72.14 H new ATOM 0 HD3 LYS A 25 -14.416 6.972 5.007 1.00 72.14 H new ATOM 0 HE2 LYS A 25 -15.909 5.031 5.420 1.00 33.32 H new ATOM 0 HE3 LYS A 25 -14.965 4.058 4.310 1.00 33.32 H new ATOM 0 HZ1 LYS A 25 -14.340 3.641 6.590 1.00 2.24 H new ATOM 0 HZ2 LYS A 25 -13.038 4.334 5.749 1.00 2.24 H new ATOM 0 HZ3 LYS A 25 -13.953 5.277 6.825 1.00 2.24 H new ATOM 393 N SER A 26 -14.313 6.504 -0.293 1.00 73.01 N ATOM 394 CA SER A 26 -14.339 5.442 -1.280 1.00 75.14 C ATOM 395 C SER A 26 -13.258 5.688 -2.328 1.00 54.31 C ATOM 396 O SER A 26 -13.492 6.347 -3.343 1.00 32.04 O ATOM 397 CB SER A 26 -15.721 5.341 -1.940 1.00 20.11 C ATOM 398 OG SER A 26 -15.803 4.207 -2.788 1.00 11.21 O ATOM 0 H SER A 26 -14.910 7.302 -0.511 1.00 73.01 H new ATOM 0 HA SER A 26 -14.140 4.494 -0.780 1.00 75.14 H new ATOM 0 HB2 SER A 26 -16.491 5.279 -1.171 1.00 20.11 H new ATOM 0 HB3 SER A 26 -15.918 6.245 -2.517 1.00 20.11 H new ATOM 0 HG SER A 26 -16.694 4.166 -3.194 1.00 11.21 H new ATOM 404 N PHE A 27 -12.064 5.195 -2.048 1.00 62.03 N ATOM 405 CA PHE A 27 -10.944 5.366 -2.955 1.00 51.01 C ATOM 406 C PHE A 27 -10.308 4.019 -3.263 1.00 73.42 C ATOM 407 O PHE A 27 -9.449 3.536 -2.526 1.00 51.45 O ATOM 408 CB PHE A 27 -9.916 6.335 -2.356 1.00 21.01 C ATOM 409 CG PHE A 27 -8.811 6.715 -3.303 1.00 71.23 C ATOM 410 CD1 PHE A 27 -9.102 7.178 -4.576 1.00 74.22 C ATOM 411 CD2 PHE A 27 -7.484 6.623 -2.916 1.00 10.41 C ATOM 412 CE1 PHE A 27 -8.091 7.539 -5.445 1.00 73.41 C ATOM 413 CE2 PHE A 27 -6.468 6.980 -3.781 1.00 64.15 C ATOM 414 CZ PHE A 27 -6.771 7.438 -5.047 1.00 70.11 C ATOM 0 H PHE A 27 -11.846 4.673 -1.199 1.00 62.03 H new ATOM 0 HA PHE A 27 -11.308 5.793 -3.889 1.00 51.01 H new ATOM 0 HB2 PHE A 27 -10.430 7.240 -2.032 1.00 21.01 H new ATOM 0 HB3 PHE A 27 -9.479 5.881 -1.467 1.00 21.01 H new ATOM 0 HD1 PHE A 27 -10.132 7.258 -4.893 1.00 74.22 H new ATOM 0 HD2 PHE A 27 -7.241 6.268 -1.926 1.00 10.41 H new ATOM 0 HE1 PHE A 27 -8.331 7.900 -6.434 1.00 73.41 H new ATOM 0 HE2 PHE A 27 -5.438 6.901 -3.467 1.00 64.15 H new ATOM 0 HZ PHE A 27 -5.978 7.717 -5.726 1.00 70.11 H new ATOM 424 N SER A 28 -10.773 3.398 -4.336 1.00 43.10 N ATOM 425 CA SER A 28 -10.242 2.119 -4.771 1.00 24.32 C ATOM 426 C SER A 28 -9.014 2.327 -5.648 1.00 20.43 C ATOM 427 O SER A 28 -9.125 2.568 -6.851 1.00 42.51 O ATOM 428 CB SER A 28 -11.314 1.336 -5.529 1.00 54.25 C ATOM 429 OG SER A 28 -12.504 1.242 -4.764 1.00 31.44 O ATOM 0 H SER A 28 -11.522 3.764 -4.924 1.00 43.10 H new ATOM 0 HA SER A 28 -9.945 1.544 -3.894 1.00 24.32 H new ATOM 0 HB2 SER A 28 -11.525 1.826 -6.479 1.00 54.25 H new ATOM 0 HB3 SER A 28 -10.945 0.337 -5.761 1.00 54.25 H new ATOM 0 HG SER A 28 -13.178 0.739 -5.267 1.00 31.44 H new ATOM 435 N ALA A 29 -7.851 2.281 -5.027 1.00 2.13 N ATOM 436 CA ALA A 29 -6.598 2.416 -5.746 1.00 21.42 C ATOM 437 C ALA A 29 -5.699 1.227 -5.458 1.00 0.31 C ATOM 438 O ALA A 29 -4.476 1.317 -5.548 1.00 13.01 O ATOM 439 CB ALA A 29 -5.912 3.716 -5.362 1.00 3.22 C ATOM 0 H ALA A 29 -7.747 2.150 -4.021 1.00 2.13 H new ATOM 0 HA ALA A 29 -6.804 2.439 -6.816 1.00 21.42 H new ATOM 0 HB1 ALA A 29 -4.973 3.807 -5.908 1.00 3.22 H new ATOM 0 HB2 ALA A 29 -6.559 4.557 -5.612 1.00 3.22 H new ATOM 0 HB3 ALA A 29 -5.711 3.719 -4.291 1.00 3.22 H new ATOM 445 N ASP A 30 -6.322 0.104 -5.122 1.00 31.13 N ATOM 446 CA ASP A 30 -5.586 -1.106 -4.809 1.00 1.43 C ATOM 447 C ASP A 30 -5.001 -1.719 -6.074 1.00 12.41 C ATOM 448 O ASP A 30 -5.715 -2.069 -7.018 1.00 71.02 O ATOM 449 CB ASP A 30 -6.470 -2.123 -4.067 1.00 63.31 C ATOM 450 CG ASP A 30 -7.648 -2.630 -4.878 1.00 24.24 C ATOM 451 OD1 ASP A 30 -8.607 -1.853 -5.096 1.00 74.31 O ATOM 452 OD2 ASP A 30 -7.636 -3.814 -5.270 1.00 53.34 O ATOM 0 H ASP A 30 -7.336 0.010 -5.060 1.00 31.13 H new ATOM 0 HA ASP A 30 -4.765 -0.836 -4.145 1.00 1.43 H new ATOM 0 HB2 ASP A 30 -5.856 -2.973 -3.769 1.00 63.31 H new ATOM 0 HB3 ASP A 30 -6.844 -1.663 -3.152 1.00 63.31 H new ATOM 457 N ALA A 31 -3.686 -1.810 -6.101 1.00 75.45 N ATOM 458 CA ALA A 31 -2.996 -2.413 -7.220 1.00 40.31 C ATOM 459 C ALA A 31 -2.282 -3.676 -6.776 1.00 54.43 C ATOM 460 O ALA A 31 -1.821 -3.769 -5.635 1.00 63.41 O ATOM 461 CB ALA A 31 -2.022 -1.427 -7.843 1.00 14.23 C ATOM 0 H ALA A 31 -3.074 -1.473 -5.358 1.00 75.45 H new ATOM 0 HA ALA A 31 -3.730 -2.683 -7.979 1.00 40.31 H new ATOM 0 HB1 ALA A 31 -1.513 -1.900 -8.683 1.00 14.23 H new ATOM 0 HB2 ALA A 31 -2.567 -0.551 -8.195 1.00 14.23 H new ATOM 0 HB3 ALA A 31 -1.287 -1.122 -7.098 1.00 14.23 H new ATOM 467 N ARG A 32 -2.215 -4.653 -7.665 1.00 30.40 N ATOM 468 CA ARG A 32 -1.559 -5.912 -7.359 1.00 51.03 C ATOM 469 C ARG A 32 -0.042 -5.770 -7.456 1.00 22.13 C ATOM 470 O ARG A 32 0.535 -5.782 -8.543 1.00 40.03 O ATOM 471 CB ARG A 32 -2.065 -7.025 -8.287 1.00 1.31 C ATOM 472 CG ARG A 32 -2.010 -6.671 -9.766 1.00 33.23 C ATOM 473 CD ARG A 32 -2.513 -7.808 -10.633 1.00 52.33 C ATOM 474 NE ARG A 32 -2.411 -7.496 -12.058 1.00 15.15 N ATOM 475 CZ ARG A 32 -2.449 -8.412 -13.024 1.00 55.33 C ATOM 476 NH1 ARG A 32 -2.624 -9.694 -12.725 1.00 14.24 N ATOM 477 NH2 ARG A 32 -2.324 -8.041 -14.290 1.00 5.05 N ATOM 0 H ARG A 32 -2.607 -4.598 -8.605 1.00 30.40 H new ATOM 0 HA ARG A 32 -1.807 -6.186 -6.333 1.00 51.03 H new ATOM 0 HB2 ARG A 32 -1.472 -7.923 -8.117 1.00 1.31 H new ATOM 0 HB3 ARG A 32 -3.094 -7.267 -8.020 1.00 1.31 H new ATOM 0 HG2 ARG A 32 -2.610 -5.780 -9.950 1.00 33.23 H new ATOM 0 HG3 ARG A 32 -0.985 -6.427 -10.044 1.00 33.23 H new ATOM 0 HD2 ARG A 32 -1.940 -8.710 -10.417 1.00 52.33 H new ATOM 0 HD3 ARG A 32 -3.552 -8.023 -10.382 1.00 52.33 H new ATOM 0 HE ARG A 32 -2.304 -6.518 -12.328 1.00 15.15 H new ATOM 0 HH11 ARG A 32 -2.730 -9.981 -11.752 1.00 14.24 H new ATOM 0 HH12 ARG A 32 -2.652 -10.392 -13.468 1.00 14.24 H new ATOM 0 HH21 ARG A 32 -2.199 -7.056 -14.523 1.00 5.05 H new ATOM 0 HH22 ARG A 32 -2.353 -8.741 -15.032 1.00 5.05 H new ATOM 491 N PHE A 33 0.592 -5.596 -6.310 1.00 50.41 N ATOM 492 CA PHE A 33 2.040 -5.478 -6.251 1.00 23.33 C ATOM 493 C PHE A 33 2.651 -6.737 -5.655 1.00 22.22 C ATOM 494 O PHE A 33 1.996 -7.464 -4.906 1.00 30.14 O ATOM 495 CB PHE A 33 2.459 -4.272 -5.405 1.00 73.21 C ATOM 496 CG PHE A 33 2.075 -2.938 -5.980 1.00 12.15 C ATOM 497 CD1 PHE A 33 2.708 -2.447 -7.110 1.00 42.12 C ATOM 498 CD2 PHE A 33 1.093 -2.169 -5.379 1.00 60.13 C ATOM 499 CE1 PHE A 33 2.369 -1.213 -7.631 1.00 73.02 C ATOM 500 CE2 PHE A 33 0.748 -0.934 -5.894 1.00 63.24 C ATOM 501 CZ PHE A 33 1.387 -0.457 -7.022 1.00 15.44 C ATOM 0 H PHE A 33 0.126 -5.533 -5.405 1.00 50.41 H new ATOM 0 HA PHE A 33 2.402 -5.341 -7.270 1.00 23.33 H new ATOM 0 HB2 PHE A 33 2.013 -4.367 -4.415 1.00 73.21 H new ATOM 0 HB3 PHE A 33 3.541 -4.297 -5.272 1.00 73.21 H new ATOM 0 HD1 PHE A 33 3.476 -3.036 -7.590 1.00 42.12 H new ATOM 0 HD2 PHE A 33 0.591 -2.539 -4.497 1.00 60.13 H new ATOM 0 HE1 PHE A 33 2.871 -0.841 -8.512 1.00 73.02 H new ATOM 0 HE2 PHE A 33 -0.019 -0.343 -5.416 1.00 63.24 H new ATOM 0 HZ PHE A 33 1.119 0.507 -7.428 1.00 15.44 H new ATOM 511 N SER A 34 3.899 -7.002 -6.005 1.00 22.11 N ATOM 512 CA SER A 34 4.663 -8.043 -5.349 1.00 50.41 C ATOM 513 C SER A 34 5.174 -7.513 -4.010 1.00 34.14 C ATOM 514 O SER A 34 5.517 -6.336 -3.900 1.00 72.42 O ATOM 515 CB SER A 34 5.828 -8.482 -6.240 1.00 33.20 C ATOM 516 OG SER A 34 5.361 -8.901 -7.511 1.00 72.21 O ATOM 0 H SER A 34 4.403 -6.508 -6.742 1.00 22.11 H new ATOM 0 HA SER A 34 4.029 -8.912 -5.172 1.00 50.41 H new ATOM 0 HB2 SER A 34 6.531 -7.657 -6.360 1.00 33.20 H new ATOM 0 HB3 SER A 34 6.371 -9.297 -5.761 1.00 33.20 H new ATOM 0 HG SER A 34 5.555 -9.854 -7.633 1.00 72.21 H new ATOM 522 N PRO A 35 5.228 -8.367 -2.973 1.00 10.21 N ATOM 523 CA PRO A 35 5.612 -7.959 -1.614 1.00 33.11 C ATOM 524 C PRO A 35 7.104 -7.644 -1.483 1.00 13.13 C ATOM 525 O PRO A 35 7.693 -7.809 -0.420 1.00 51.42 O ATOM 526 CB PRO A 35 5.249 -9.178 -0.747 1.00 24.12 C ATOM 527 CG PRO A 35 4.454 -10.084 -1.630 1.00 44.44 C ATOM 528 CD PRO A 35 4.908 -9.799 -3.029 1.00 4.33 C ATOM 0 HA PRO A 35 5.104 -7.040 -1.321 1.00 33.11 H new ATOM 0 HB2 PRO A 35 6.146 -9.678 -0.380 1.00 24.12 H new ATOM 0 HB3 PRO A 35 4.671 -8.878 0.127 1.00 24.12 H new ATOM 0 HG2 PRO A 35 4.623 -11.129 -1.370 1.00 44.44 H new ATOM 0 HG3 PRO A 35 3.386 -9.897 -1.521 1.00 44.44 H new ATOM 0 HD2 PRO A 35 5.776 -10.398 -3.304 1.00 4.33 H new ATOM 0 HD3 PRO A 35 4.128 -10.012 -3.760 1.00 4.33 H new ATOM 536 N GLN A 36 7.712 -7.165 -2.557 1.00 2.12 N ATOM 537 CA GLN A 36 9.138 -6.884 -2.558 1.00 31.42 C ATOM 538 C GLN A 36 9.396 -5.389 -2.735 1.00 44.25 C ATOM 539 O GLN A 36 10.488 -4.975 -3.125 1.00 4.23 O ATOM 540 CB GLN A 36 9.834 -7.695 -3.652 1.00 13.50 C ATOM 541 CG GLN A 36 9.737 -9.195 -3.433 1.00 63.32 C ATOM 542 CD GLN A 36 10.543 -9.992 -4.441 1.00 52.41 C ATOM 543 OE1 GLN A 36 11.724 -10.270 -4.224 1.00 62.15 O ATOM 544 NE2 GLN A 36 9.913 -10.378 -5.540 1.00 14.42 N ATOM 0 H GLN A 36 7.240 -6.963 -3.438 1.00 2.12 H new ATOM 0 HA GLN A 36 9.552 -7.180 -1.594 1.00 31.42 H new ATOM 0 HB2 GLN A 36 9.394 -7.445 -4.617 1.00 13.50 H new ATOM 0 HB3 GLN A 36 10.884 -7.407 -3.697 1.00 13.50 H new ATOM 0 HG2 GLN A 36 10.084 -9.434 -2.428 1.00 63.32 H new ATOM 0 HG3 GLN A 36 8.692 -9.499 -3.490 1.00 63.32 H new ATOM 0 HE21 GLN A 36 8.935 -10.127 -5.682 1.00 14.42 H new ATOM 0 HE22 GLN A 36 10.406 -10.926 -6.245 1.00 14.42 H new ATOM 553 N MET A 37 8.380 -4.588 -2.434 1.00 31.44 N ATOM 554 CA MET A 37 8.499 -3.137 -2.468 1.00 73.02 C ATOM 555 C MET A 37 8.189 -2.561 -1.089 1.00 34.53 C ATOM 556 O MET A 37 7.037 -2.546 -0.661 1.00 53.23 O ATOM 557 CB MET A 37 7.554 -2.537 -3.515 1.00 74.13 C ATOM 558 CG MET A 37 7.657 -1.024 -3.632 1.00 71.55 C ATOM 559 SD MET A 37 6.484 -0.330 -4.817 1.00 14.42 S ATOM 560 CE MET A 37 4.928 -0.793 -4.055 1.00 65.20 C ATOM 0 H MET A 37 7.457 -4.924 -2.161 1.00 31.44 H new ATOM 0 HA MET A 37 9.521 -2.879 -2.744 1.00 73.02 H new ATOM 0 HB2 MET A 37 7.770 -2.984 -4.486 1.00 74.13 H new ATOM 0 HB3 MET A 37 6.528 -2.805 -3.262 1.00 74.13 H new ATOM 0 HG2 MET A 37 7.485 -0.576 -2.653 1.00 71.55 H new ATOM 0 HG3 MET A 37 8.670 -0.756 -3.932 1.00 71.55 H new ATOM 0 HE1 MET A 37 4.140 -0.126 -4.403 1.00 65.20 H new ATOM 0 HE2 MET A 37 4.681 -1.819 -4.327 1.00 65.20 H new ATOM 0 HE3 MET A 37 5.016 -0.716 -2.971 1.00 65.20 H new ATOM 570 N SER A 38 9.225 -2.111 -0.396 1.00 65.35 N ATOM 571 CA SER A 38 9.076 -1.589 0.955 1.00 54.10 C ATOM 572 C SER A 38 8.536 -0.159 0.948 1.00 12.34 C ATOM 573 O SER A 38 8.647 0.558 -0.049 1.00 42.15 O ATOM 574 CB SER A 38 10.424 -1.639 1.672 1.00 12.31 C ATOM 575 OG SER A 38 10.976 -2.943 1.619 1.00 34.14 O ATOM 0 H SER A 38 10.182 -2.097 -0.749 1.00 65.35 H new ATOM 0 HA SER A 38 8.354 -2.211 1.484 1.00 54.10 H new ATOM 0 HB2 SER A 38 11.112 -0.929 1.212 1.00 12.31 H new ATOM 0 HB3 SER A 38 10.299 -1.334 2.711 1.00 12.31 H new ATOM 0 HG SER A 38 10.769 -3.420 2.450 1.00 34.14 H new ATOM 581 N VAL A 39 7.964 0.249 2.075 1.00 20.43 N ATOM 582 CA VAL A 39 7.401 1.589 2.226 1.00 45.32 C ATOM 583 C VAL A 39 8.497 2.650 2.136 1.00 10.11 C ATOM 584 O VAL A 39 8.253 3.785 1.722 1.00 64.02 O ATOM 585 CB VAL A 39 6.651 1.724 3.572 1.00 20.13 C ATOM 586 CG1 VAL A 39 6.047 3.114 3.732 1.00 63.52 C ATOM 587 CG2 VAL A 39 5.573 0.655 3.693 1.00 63.45 C ATOM 0 H VAL A 39 7.877 -0.335 2.907 1.00 20.43 H new ATOM 0 HA VAL A 39 6.692 1.744 1.413 1.00 45.32 H new ATOM 0 HB VAL A 39 7.375 1.580 4.374 1.00 20.13 H new ATOM 0 HG11 VAL A 39 5.527 3.177 4.688 1.00 63.52 H new ATOM 0 HG12 VAL A 39 6.840 3.861 3.701 1.00 63.52 H new ATOM 0 HG13 VAL A 39 5.342 3.300 2.922 1.00 63.52 H new ATOM 0 HG21 VAL A 39 5.056 0.766 4.646 1.00 63.45 H new ATOM 0 HG22 VAL A 39 4.858 0.765 2.878 1.00 63.45 H new ATOM 0 HG23 VAL A 39 6.032 -0.332 3.642 1.00 63.45 H new ATOM 597 N GLU A 40 9.711 2.268 2.516 1.00 23.22 N ATOM 598 CA GLU A 40 10.872 3.143 2.415 1.00 24.11 C ATOM 599 C GLU A 40 11.040 3.667 0.982 1.00 1.32 C ATOM 600 O GLU A 40 11.510 4.787 0.761 1.00 22.10 O ATOM 601 CB GLU A 40 12.123 2.378 2.850 1.00 51.23 C ATOM 602 CG GLU A 40 13.391 3.212 2.852 1.00 45.44 C ATOM 603 CD GLU A 40 14.617 2.410 3.236 1.00 54.10 C ATOM 604 OE1 GLU A 40 15.253 1.819 2.336 1.00 60.42 O ATOM 605 OE2 GLU A 40 14.955 2.365 4.435 1.00 45.12 O ATOM 0 H GLU A 40 9.917 1.346 2.901 1.00 23.22 H new ATOM 0 HA GLU A 40 10.724 4.001 3.070 1.00 24.11 H new ATOM 0 HB2 GLU A 40 11.962 1.979 3.852 1.00 51.23 H new ATOM 0 HB3 GLU A 40 12.263 1.525 2.186 1.00 51.23 H new ATOM 0 HG2 GLU A 40 13.539 3.643 1.862 1.00 45.44 H new ATOM 0 HG3 GLU A 40 13.273 4.043 3.547 1.00 45.44 H new ATOM 612 N ALA A 41 10.628 2.856 0.013 1.00 13.12 N ATOM 613 CA ALA A 41 10.764 3.216 -1.389 1.00 24.12 C ATOM 614 C ALA A 41 9.640 4.140 -1.841 1.00 41.35 C ATOM 615 O ALA A 41 9.877 5.098 -2.574 1.00 74.42 O ATOM 616 CB ALA A 41 10.796 1.968 -2.258 1.00 23.02 C ATOM 0 H ALA A 41 10.198 1.946 0.175 1.00 13.12 H new ATOM 0 HA ALA A 41 11.706 3.753 -1.501 1.00 24.12 H new ATOM 0 HB1 ALA A 41 10.898 2.256 -3.304 1.00 23.02 H new ATOM 0 HB2 ALA A 41 11.642 1.345 -1.969 1.00 23.02 H new ATOM 0 HB3 ALA A 41 9.871 1.408 -2.124 1.00 23.02 H new ATOM 622 N VAL A 42 8.417 3.867 -1.394 1.00 51.22 N ATOM 623 CA VAL A 42 7.265 4.647 -1.839 1.00 25.41 C ATOM 624 C VAL A 42 7.320 6.074 -1.277 1.00 20.03 C ATOM 625 O VAL A 42 6.891 7.020 -1.939 1.00 21.00 O ATOM 626 CB VAL A 42 5.914 3.971 -1.480 1.00 50.02 C ATOM 627 CG1 VAL A 42 5.675 3.948 0.021 1.00 31.42 C ATOM 628 CG2 VAL A 42 4.760 4.658 -2.196 1.00 55.34 C ATOM 0 H VAL A 42 8.199 3.122 -0.733 1.00 51.22 H new ATOM 0 HA VAL A 42 7.320 4.695 -2.927 1.00 25.41 H new ATOM 0 HB VAL A 42 5.968 2.937 -1.819 1.00 50.02 H new ATOM 0 HG11 VAL A 42 4.719 3.467 0.230 1.00 31.42 H new ATOM 0 HG12 VAL A 42 6.476 3.392 0.508 1.00 31.42 H new ATOM 0 HG13 VAL A 42 5.658 4.969 0.402 1.00 31.42 H new ATOM 0 HG21 VAL A 42 3.823 4.168 -1.930 1.00 55.34 H new ATOM 0 HG22 VAL A 42 4.719 5.706 -1.898 1.00 55.34 H new ATOM 0 HG23 VAL A 42 4.910 4.593 -3.274 1.00 55.34 H new ATOM 638 N LYS A 43 7.872 6.232 -0.074 1.00 40.41 N ATOM 639 CA LYS A 43 8.066 7.561 0.501 1.00 51.44 C ATOM 640 C LYS A 43 9.006 8.374 -0.373 1.00 75.14 C ATOM 641 O LYS A 43 8.745 9.539 -0.667 1.00 24.13 O ATOM 642 CB LYS A 43 8.632 7.479 1.922 1.00 5.25 C ATOM 643 CG LYS A 43 7.617 7.057 2.972 1.00 72.22 C ATOM 644 CD LYS A 43 8.214 7.128 4.368 1.00 53.21 C ATOM 645 CE LYS A 43 7.167 6.883 5.438 1.00 73.50 C ATOM 646 NZ LYS A 43 7.745 6.957 6.807 1.00 12.44 N ATOM 0 H LYS A 43 8.190 5.463 0.516 1.00 40.41 H new ATOM 0 HA LYS A 43 7.092 8.048 0.548 1.00 51.44 H new ATOM 0 HB2 LYS A 43 9.462 6.773 1.930 1.00 5.25 H new ATOM 0 HB3 LYS A 43 9.039 8.452 2.196 1.00 5.25 H new ATOM 0 HG2 LYS A 43 6.740 7.702 2.915 1.00 72.22 H new ATOM 0 HG3 LYS A 43 7.279 6.041 2.768 1.00 72.22 H new ATOM 0 HD2 LYS A 43 9.010 6.389 4.462 1.00 53.21 H new ATOM 0 HD3 LYS A 43 8.668 8.107 4.520 1.00 53.21 H new ATOM 0 HE2 LYS A 43 6.369 7.619 5.341 1.00 73.50 H new ATOM 0 HE3 LYS A 43 6.716 5.902 5.287 1.00 73.50 H new ATOM 0 HZ1 LYS A 43 6.998 6.784 7.509 1.00 12.44 H new ATOM 0 HZ2 LYS A 43 8.489 6.238 6.909 1.00 12.44 H new ATOM 0 HZ3 LYS A 43 8.153 7.901 6.961 1.00 12.44 H new ATOM 660 N GLU A 44 10.086 7.737 -0.800 1.00 3.40 N ATOM 661 CA GLU A 44 11.077 8.374 -1.654 1.00 53.14 C ATOM 662 C GLU A 44 10.462 8.726 -3.005 1.00 31.02 C ATOM 663 O GLU A 44 10.717 9.792 -3.566 1.00 10.50 O ATOM 664 CB GLU A 44 12.268 7.436 -1.853 1.00 42.13 C ATOM 665 CG GLU A 44 13.434 8.059 -2.603 1.00 2.44 C ATOM 666 CD GLU A 44 14.491 7.039 -2.970 1.00 21.45 C ATOM 667 OE1 GLU A 44 15.064 6.409 -2.055 1.00 24.43 O ATOM 668 OE2 GLU A 44 14.751 6.854 -4.178 1.00 1.51 O ATOM 0 H GLU A 44 10.300 6.768 -0.565 1.00 3.40 H new ATOM 0 HA GLU A 44 11.418 9.291 -1.175 1.00 53.14 H new ATOM 0 HB2 GLU A 44 12.617 7.098 -0.877 1.00 42.13 H new ATOM 0 HB3 GLU A 44 11.933 6.552 -2.395 1.00 42.13 H new ATOM 0 HG2 GLU A 44 13.065 8.539 -3.509 1.00 2.44 H new ATOM 0 HG3 GLU A 44 13.883 8.840 -1.989 1.00 2.44 H new ATOM 675 N LYS A 45 9.632 7.822 -3.504 1.00 51.50 N ATOM 676 CA LYS A 45 9.018 7.969 -4.816 1.00 0.30 C ATOM 677 C LYS A 45 8.020 9.129 -4.828 1.00 13.11 C ATOM 678 O LYS A 45 7.860 9.812 -5.841 1.00 74.23 O ATOM 679 CB LYS A 45 8.334 6.657 -5.197 1.00 15.22 C ATOM 680 CG LYS A 45 8.079 6.487 -6.686 1.00 32.34 C ATOM 681 CD LYS A 45 7.760 5.040 -7.007 1.00 34.31 C ATOM 682 CE LYS A 45 7.639 4.805 -8.502 1.00 74.54 C ATOM 683 NZ LYS A 45 7.602 3.354 -8.819 1.00 71.03 N ATOM 0 H LYS A 45 9.366 6.969 -3.013 1.00 51.50 H new ATOM 0 HA LYS A 45 9.791 8.199 -5.550 1.00 0.30 H new ATOM 0 HB2 LYS A 45 8.949 5.827 -4.850 1.00 15.22 H new ATOM 0 HB3 LYS A 45 7.383 6.591 -4.669 1.00 15.22 H new ATOM 0 HG2 LYS A 45 7.251 7.125 -6.995 1.00 32.34 H new ATOM 0 HG3 LYS A 45 8.955 6.806 -7.250 1.00 32.34 H new ATOM 0 HD2 LYS A 45 8.541 4.397 -6.601 1.00 34.31 H new ATOM 0 HD3 LYS A 45 6.828 4.757 -6.518 1.00 34.31 H new ATOM 0 HE2 LYS A 45 6.734 5.284 -8.876 1.00 74.54 H new ATOM 0 HE3 LYS A 45 8.481 5.270 -9.015 1.00 74.54 H new ATOM 0 HZ1 LYS A 45 7.519 3.225 -9.848 1.00 71.03 H new ATOM 0 HZ2 LYS A 45 8.477 2.903 -8.483 1.00 71.03 H new ATOM 0 HZ3 LYS A 45 6.784 2.917 -8.348 1.00 71.03 H new ATOM 697 N LEU A 46 7.356 9.354 -3.700 1.00 4.32 N ATOM 698 CA LEU A 46 6.448 10.487 -3.559 1.00 11.40 C ATOM 699 C LEU A 46 7.234 11.765 -3.279 1.00 43.12 C ATOM 700 O LEU A 46 6.881 12.850 -3.752 1.00 21.12 O ATOM 701 CB LEU A 46 5.441 10.233 -2.434 1.00 40.21 C ATOM 702 CG LEU A 46 4.436 9.110 -2.698 1.00 51.14 C ATOM 703 CD1 LEU A 46 3.601 8.838 -1.457 1.00 53.20 C ATOM 704 CD2 LEU A 46 3.539 9.465 -3.875 1.00 0.44 C ATOM 0 H LEU A 46 7.429 8.767 -2.869 1.00 4.32 H new ATOM 0 HA LEU A 46 5.902 10.607 -4.495 1.00 11.40 H new ATOM 0 HB2 LEU A 46 5.991 9.999 -1.522 1.00 40.21 H new ATOM 0 HB3 LEU A 46 4.890 11.155 -2.247 1.00 40.21 H new ATOM 0 HG LEU A 46 4.990 8.204 -2.946 1.00 51.14 H new ATOM 0 HD11 LEU A 46 2.892 8.036 -1.664 1.00 53.20 H new ATOM 0 HD12 LEU A 46 4.255 8.542 -0.637 1.00 53.20 H new ATOM 0 HD13 LEU A 46 3.057 9.741 -1.179 1.00 53.20 H new ATOM 0 HD21 LEU A 46 2.830 8.656 -4.049 1.00 0.44 H new ATOM 0 HD22 LEU A 46 2.994 10.383 -3.654 1.00 0.44 H new ATOM 0 HD23 LEU A 46 4.149 9.611 -4.766 1.00 0.44 H new ATOM 716 N TRP A 47 8.310 11.617 -2.517 1.00 34.12 N ATOM 717 CA TRP A 47 9.175 12.734 -2.157 1.00 65.23 C ATOM 718 C TRP A 47 9.836 13.327 -3.401 1.00 73.54 C ATOM 719 O TRP A 47 10.065 14.535 -3.480 1.00 71.13 O ATOM 720 CB TRP A 47 10.234 12.249 -1.164 1.00 50.12 C ATOM 721 CG TRP A 47 11.114 13.328 -0.616 1.00 34.42 C ATOM 722 CD1 TRP A 47 10.725 14.428 0.093 1.00 74.21 C ATOM 723 CD2 TRP A 47 12.541 13.393 -0.711 1.00 12.43 C ATOM 724 NE1 TRP A 47 11.823 15.170 0.446 1.00 34.11 N ATOM 725 CE2 TRP A 47 12.950 14.558 -0.040 1.00 50.33 C ATOM 726 CE3 TRP A 47 13.513 12.575 -1.298 1.00 13.31 C ATOM 727 CZ2 TRP A 47 14.286 14.930 0.060 1.00 3.12 C ATOM 728 CZ3 TRP A 47 14.839 12.947 -1.201 1.00 23.14 C ATOM 729 CH2 TRP A 47 15.214 14.113 -0.523 1.00 54.04 C ATOM 0 H TRP A 47 8.608 10.721 -2.131 1.00 34.12 H new ATOM 0 HA TRP A 47 8.576 13.518 -1.692 1.00 65.23 H new ATOM 0 HB2 TRP A 47 9.734 11.750 -0.334 1.00 50.12 H new ATOM 0 HB3 TRP A 47 10.859 11.503 -1.655 1.00 50.12 H new ATOM 0 HD1 TRP A 47 9.703 14.677 0.339 1.00 74.21 H new ATOM 0 HE1 TRP A 47 11.804 16.037 0.983 1.00 34.11 H new ATOM 0 HE3 TRP A 47 13.231 11.671 -1.817 1.00 13.31 H new ATOM 0 HZ2 TRP A 47 14.580 15.831 0.579 1.00 3.12 H new ATOM 0 HZ3 TRP A 47 15.599 12.329 -1.655 1.00 23.14 H new ATOM 0 HH2 TRP A 47 16.260 14.373 -0.459 1.00 54.04 H new ATOM 740 N LYS A 48 10.128 12.473 -4.374 1.00 22.34 N ATOM 741 CA LYS A 48 10.723 12.914 -5.628 1.00 74.55 C ATOM 742 C LYS A 48 9.652 13.160 -6.689 1.00 2.32 C ATOM 743 O LYS A 48 9.961 13.434 -7.850 1.00 13.33 O ATOM 744 CB LYS A 48 11.730 11.878 -6.129 1.00 40.12 C ATOM 745 CG LYS A 48 12.991 11.789 -5.284 1.00 22.33 C ATOM 746 CD LYS A 48 13.895 10.670 -5.767 1.00 43.23 C ATOM 747 CE LYS A 48 15.233 10.679 -5.049 1.00 3.24 C ATOM 748 NZ LYS A 48 16.040 11.885 -5.386 1.00 32.34 N ATOM 0 H LYS A 48 9.962 11.468 -4.318 1.00 22.34 H new ATOM 0 HA LYS A 48 11.241 13.855 -5.443 1.00 74.55 H new ATOM 0 HB2 LYS A 48 11.250 10.900 -6.152 1.00 40.12 H new ATOM 0 HB3 LYS A 48 12.008 12.121 -7.155 1.00 40.12 H new ATOM 0 HG2 LYS A 48 13.527 12.737 -5.325 1.00 22.33 H new ATOM 0 HG3 LYS A 48 12.722 11.619 -4.241 1.00 22.33 H new ATOM 0 HD2 LYS A 48 13.403 9.710 -5.608 1.00 43.23 H new ATOM 0 HD3 LYS A 48 14.057 10.771 -6.840 1.00 43.23 H new ATOM 0 HE2 LYS A 48 15.067 10.644 -3.972 1.00 3.24 H new ATOM 0 HE3 LYS A 48 15.793 9.782 -5.315 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 17.026 11.737 -5.089 1.00 32.34 H new ATOM 0 HZ2 LYS A 48 16.008 12.048 -6.413 1.00 32.34 H new ATOM 0 HZ3 LYS A 48 15.650 12.713 -4.892 1.00 32.34 H new ATOM 762 N LYS A 49 8.393 13.058 -6.290 1.00 5.02 N ATOM 763 CA LYS A 49 7.287 13.328 -7.196 1.00 3.34 C ATOM 764 C LYS A 49 6.725 14.721 -6.947 1.00 74.41 C ATOM 765 O LYS A 49 6.730 15.572 -7.835 1.00 2.01 O ATOM 766 CB LYS A 49 6.180 12.279 -7.037 1.00 13.42 C ATOM 767 CG LYS A 49 4.926 12.595 -7.844 1.00 21.12 C ATOM 768 CD LYS A 49 3.828 11.562 -7.630 1.00 3.24 C ATOM 769 CE LYS A 49 3.947 10.380 -8.584 1.00 64.21 C ATOM 770 NZ LYS A 49 5.180 9.577 -8.364 1.00 42.03 N ATOM 0 H LYS A 49 8.112 12.791 -5.347 1.00 5.02 H new ATOM 0 HA LYS A 49 7.666 13.276 -8.216 1.00 3.34 H new ATOM 0 HB2 LYS A 49 6.565 11.306 -7.343 1.00 13.42 H new ATOM 0 HB3 LYS A 49 5.914 12.199 -5.983 1.00 13.42 H new ATOM 0 HG2 LYS A 49 4.555 13.581 -7.564 1.00 21.12 H new ATOM 0 HG3 LYS A 49 5.179 12.639 -8.903 1.00 21.12 H new ATOM 0 HD2 LYS A 49 3.868 11.201 -6.602 1.00 3.24 H new ATOM 0 HD3 LYS A 49 2.856 12.036 -7.764 1.00 3.24 H new ATOM 0 HE2 LYS A 49 3.075 9.736 -8.467 1.00 64.21 H new ATOM 0 HE3 LYS A 49 3.937 10.746 -9.611 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 5.027 8.606 -8.702 1.00 42.03 H new ATOM 0 HZ2 LYS A 49 5.971 10.005 -8.887 1.00 42.03 H new ATOM 0 HZ3 LYS A 49 5.406 9.558 -7.349 1.00 42.03 H new ATOM 784 N CYS A 50 6.247 14.954 -5.734 1.00 12.50 N ATOM 785 CA CYS A 50 5.614 16.223 -5.403 1.00 71.21 C ATOM 786 C CYS A 50 6.586 17.149 -4.676 1.00 35.22 C ATOM 787 O CYS A 50 6.314 18.338 -4.502 1.00 32.40 O ATOM 788 CB CYS A 50 4.383 15.974 -4.536 1.00 10.52 C ATOM 789 SG CYS A 50 3.228 14.769 -5.229 1.00 23.31 S ATOM 0 H CYS A 50 6.285 14.285 -4.965 1.00 12.50 H new ATOM 0 HA CYS A 50 5.313 16.709 -6.331 1.00 71.21 H new ATOM 0 HB2 CYS A 50 4.707 15.629 -3.554 1.00 10.52 H new ATOM 0 HB3 CYS A 50 3.860 16.918 -4.386 1.00 10.52 H new ATOM 0 HG CYS A 50 2.218 14.623 -4.423 1.00 23.31 H new ATOM 795 N GLY A 51 7.720 16.598 -4.259 1.00 35.33 N ATOM 796 CA GLY A 51 8.687 17.372 -3.505 1.00 52.24 C ATOM 797 C GLY A 51 8.149 17.778 -2.150 1.00 30.01 C ATOM 798 O GLY A 51 8.429 18.873 -1.659 1.00 11.52 O ATOM 0 H GLY A 51 7.987 15.628 -4.430 1.00 35.33 H new ATOM 0 HA2 GLY A 51 9.598 16.788 -3.374 1.00 52.24 H new ATOM 0 HA3 GLY A 51 8.959 18.264 -4.070 1.00 52.24 H new ATOM 802 N THR A 52 7.362 16.896 -1.554 1.00 64.54 N ATOM 803 CA THR A 52 6.739 17.161 -0.270 1.00 12.55 C ATOM 804 C THR A 52 7.401 16.329 0.819 1.00 5.22 C ATOM 805 O THR A 52 7.639 15.134 0.635 1.00 43.15 O ATOM 806 CB THR A 52 5.234 16.823 -0.320 1.00 11.01 C ATOM 807 OG1 THR A 52 4.638 17.437 -1.472 1.00 51.22 O ATOM 808 CG2 THR A 52 4.518 17.300 0.937 1.00 35.50 C ATOM 0 H THR A 52 7.139 15.981 -1.946 1.00 64.54 H new ATOM 0 HA THR A 52 6.863 18.220 -0.045 1.00 12.55 H new ATOM 0 HB THR A 52 5.133 15.739 -0.382 1.00 11.01 H new ATOM 0 HG1 THR A 52 3.683 17.219 -1.502 1.00 51.22 H new ATOM 0 HG21 THR A 52 3.460 17.047 0.871 1.00 35.50 H new ATOM 0 HG22 THR A 52 4.953 16.814 1.810 1.00 35.50 H new ATOM 0 HG23 THR A 52 4.628 18.380 1.030 1.00 35.50 H new ATOM 816 N SER A 53 7.715 16.965 1.940 1.00 34.34 N ATOM 817 CA SER A 53 8.280 16.259 3.076 1.00 21.23 C ATOM 818 C SER A 53 7.232 15.325 3.683 1.00 20.11 C ATOM 819 O SER A 53 6.146 15.764 4.073 1.00 42.30 O ATOM 820 CB SER A 53 8.792 17.257 4.116 1.00 13.42 C ATOM 821 OG SER A 53 9.745 18.141 3.545 1.00 63.20 O ATOM 0 H SER A 53 7.587 17.967 2.084 1.00 34.34 H new ATOM 0 HA SER A 53 9.124 15.657 2.740 1.00 21.23 H new ATOM 0 HB2 SER A 53 7.956 17.829 4.519 1.00 13.42 H new ATOM 0 HB3 SER A 53 9.243 16.720 4.950 1.00 13.42 H new ATOM 0 HG SER A 53 10.057 18.771 4.228 1.00 63.20 H new ATOM 827 N VAL A 54 7.570 14.042 3.775 1.00 71.23 N ATOM 828 CA VAL A 54 6.612 13.007 4.175 1.00 73.52 C ATOM 829 C VAL A 54 6.268 13.077 5.664 1.00 64.13 C ATOM 830 O VAL A 54 5.503 12.262 6.171 1.00 30.12 O ATOM 831 CB VAL A 54 7.129 11.592 3.837 1.00 20.24 C ATOM 832 CG1 VAL A 54 7.320 11.433 2.335 1.00 1.30 C ATOM 833 CG2 VAL A 54 8.426 11.292 4.574 1.00 65.15 C ATOM 0 H VAL A 54 8.506 13.689 3.577 1.00 71.23 H new ATOM 0 HA VAL A 54 5.705 13.203 3.603 1.00 73.52 H new ATOM 0 HB VAL A 54 6.378 10.874 4.168 1.00 20.24 H new ATOM 0 HG11 VAL A 54 7.685 10.429 2.119 1.00 1.30 H new ATOM 0 HG12 VAL A 54 6.368 11.590 1.828 1.00 1.30 H new ATOM 0 HG13 VAL A 54 8.045 12.166 1.981 1.00 1.30 H new ATOM 0 HG21 VAL A 54 8.767 10.289 4.317 1.00 65.15 H new ATOM 0 HG22 VAL A 54 9.185 12.019 4.285 1.00 65.15 H new ATOM 0 HG23 VAL A 54 8.256 11.353 5.649 1.00 65.15 H new ATOM 843 N ASN A 55 6.811 14.063 6.358 1.00 63.34 N ATOM 844 CA ASN A 55 6.527 14.239 7.776 1.00 43.51 C ATOM 845 C ASN A 55 5.095 14.736 7.981 1.00 31.24 C ATOM 846 O ASN A 55 4.548 14.670 9.081 1.00 75.22 O ATOM 847 CB ASN A 55 7.534 15.207 8.406 1.00 61.13 C ATOM 848 CG ASN A 55 7.389 15.308 9.911 1.00 55.42 C ATOM 849 OD1 ASN A 55 7.925 14.482 10.649 1.00 60.31 O ATOM 850 ND2 ASN A 55 6.681 16.325 10.379 1.00 15.41 N ATOM 0 H ASN A 55 7.450 14.754 5.965 1.00 63.34 H new ATOM 0 HA ASN A 55 6.624 13.273 8.271 1.00 43.51 H new ATOM 0 HB2 ASN A 55 8.545 14.880 8.164 1.00 61.13 H new ATOM 0 HB3 ASN A 55 7.405 16.196 7.966 1.00 61.13 H new ATOM 0 HD21 ASN A 55 6.564 16.445 11.385 1.00 15.41 H new ATOM 0 HD22 ASN A 55 6.253 16.988 9.733 1.00 15.41 H new ATOM 857 N SER A 56 4.482 15.217 6.907 1.00 24.33 N ATOM 858 CA SER A 56 3.117 15.717 6.969 1.00 0.31 C ATOM 859 C SER A 56 2.127 14.633 6.550 1.00 21.01 C ATOM 860 O SER A 56 0.914 14.854 6.535 1.00 24.13 O ATOM 861 CB SER A 56 2.972 16.929 6.050 1.00 32.42 C ATOM 862 OG SER A 56 4.019 17.856 6.271 1.00 54.44 O ATOM 0 H SER A 56 4.910 15.271 5.983 1.00 24.33 H new ATOM 0 HA SER A 56 2.899 16.008 7.996 1.00 0.31 H new ATOM 0 HB2 SER A 56 2.981 16.605 5.009 1.00 32.42 H new ATOM 0 HB3 SER A 56 2.010 17.411 6.226 1.00 32.42 H new ATOM 0 HG SER A 56 3.908 18.623 5.672 1.00 54.44 H new ATOM 868 N MET A 57 2.653 13.457 6.225 1.00 55.24 N ATOM 869 CA MET A 57 1.835 12.379 5.691 1.00 20.14 C ATOM 870 C MET A 57 2.290 11.026 6.233 1.00 15.22 C ATOM 871 O MET A 57 3.367 10.539 5.893 1.00 43.54 O ATOM 872 CB MET A 57 1.911 12.382 4.162 1.00 40.52 C ATOM 873 CG MET A 57 1.111 11.269 3.502 1.00 53.04 C ATOM 874 SD MET A 57 1.304 11.253 1.709 1.00 12.21 S ATOM 875 CE MET A 57 3.071 10.994 1.564 1.00 55.14 C ATOM 0 H MET A 57 3.642 13.228 6.323 1.00 55.24 H new ATOM 0 HA MET A 57 0.804 12.541 6.005 1.00 20.14 H new ATOM 0 HB2 MET A 57 1.552 13.342 3.792 1.00 40.52 H new ATOM 0 HB3 MET A 57 2.955 12.294 3.860 1.00 40.52 H new ATOM 0 HG2 MET A 57 1.428 10.308 3.907 1.00 53.04 H new ATOM 0 HG3 MET A 57 0.056 11.387 3.750 1.00 53.04 H new ATOM 0 HE1 MET A 57 3.540 11.897 1.174 1.00 55.14 H new ATOM 0 HE2 MET A 57 3.487 10.763 2.545 1.00 55.14 H new ATOM 0 HE3 MET A 57 3.262 10.163 0.885 1.00 55.14 H new ATOM 885 N ALA A 58 1.467 10.423 7.071 1.00 5.02 N ATOM 886 CA ALA A 58 1.770 9.111 7.621 1.00 14.22 C ATOM 887 C ALA A 58 0.878 8.058 6.979 1.00 64.21 C ATOM 888 O ALA A 58 -0.254 8.350 6.588 1.00 61.13 O ATOM 889 CB ALA A 58 1.592 9.114 9.133 1.00 62.50 C ATOM 0 H ALA A 58 0.582 10.820 7.387 1.00 5.02 H new ATOM 0 HA ALA A 58 2.810 8.869 7.401 1.00 14.22 H new ATOM 0 HB1 ALA A 58 1.823 8.125 9.528 1.00 62.50 H new ATOM 0 HB2 ALA A 58 2.264 9.848 9.577 1.00 62.50 H new ATOM 0 HB3 ALA A 58 0.561 9.371 9.378 1.00 62.50 H new ATOM 895 N LEU A 59 1.386 6.841 6.850 1.00 20.22 N ATOM 896 CA LEU A 59 0.607 5.766 6.263 1.00 31.41 C ATOM 897 C LEU A 59 -0.024 4.911 7.340 1.00 10.30 C ATOM 898 O LEU A 59 0.657 4.185 8.065 1.00 33.44 O ATOM 899 CB LEU A 59 1.460 4.908 5.326 1.00 71.23 C ATOM 900 CG LEU A 59 1.950 5.618 4.061 1.00 0.45 C ATOM 901 CD1 LEU A 59 2.750 4.661 3.195 1.00 74.22 C ATOM 902 CD2 LEU A 59 0.774 6.191 3.279 1.00 64.44 C ATOM 0 H LEU A 59 2.327 6.577 7.142 1.00 20.22 H new ATOM 0 HA LEU A 59 -0.188 6.219 5.671 1.00 31.41 H new ATOM 0 HB2 LEU A 59 2.326 4.545 5.879 1.00 71.23 H new ATOM 0 HB3 LEU A 59 0.880 4.033 5.031 1.00 71.23 H new ATOM 0 HG LEU A 59 2.599 6.443 4.356 1.00 0.45 H new ATOM 0 HD11 LEU A 59 3.092 5.180 2.299 1.00 74.22 H new ATOM 0 HD12 LEU A 59 3.612 4.297 3.755 1.00 74.22 H new ATOM 0 HD13 LEU A 59 2.122 3.818 2.908 1.00 74.22 H new ATOM 0 HD21 LEU A 59 1.142 6.692 2.383 1.00 64.44 H new ATOM 0 HD22 LEU A 59 0.100 5.384 2.992 1.00 64.44 H new ATOM 0 HD23 LEU A 59 0.238 6.908 3.901 1.00 64.44 H new ATOM 914 N GLU A 60 -1.330 5.030 7.446 1.00 25.15 N ATOM 915 CA GLU A 60 -2.098 4.275 8.407 1.00 74.12 C ATOM 916 C GLU A 60 -2.535 2.962 7.764 1.00 53.32 C ATOM 917 O GLU A 60 -2.661 2.887 6.542 1.00 10.11 O ATOM 918 CB GLU A 60 -3.292 5.116 8.853 1.00 33.23 C ATOM 919 CG GLU A 60 -3.835 4.732 10.208 1.00 1.33 C ATOM 920 CD GLU A 60 -5.113 3.936 10.112 1.00 23.33 C ATOM 921 OE1 GLU A 60 -6.079 4.447 9.508 1.00 20.15 O ATOM 922 OE2 GLU A 60 -5.167 2.819 10.659 1.00 14.32 O ATOM 0 H GLU A 60 -1.889 5.655 6.866 1.00 25.15 H new ATOM 0 HA GLU A 60 -1.503 4.038 9.289 1.00 74.12 H new ATOM 0 HB2 GLU A 60 -2.998 6.165 8.874 1.00 33.23 H new ATOM 0 HB3 GLU A 60 -4.087 5.022 8.113 1.00 33.23 H new ATOM 0 HG2 GLU A 60 -3.086 4.149 10.744 1.00 1.33 H new ATOM 0 HG3 GLU A 60 -4.015 5.634 10.793 1.00 1.33 H new ATOM 929 N LEU A 61 -2.763 1.930 8.561 1.00 52.12 N ATOM 930 CA LEU A 61 -2.990 0.611 8.000 1.00 44.25 C ATOM 931 C LEU A 61 -4.210 -0.072 8.615 1.00 52.01 C ATOM 932 O LEU A 61 -4.171 -0.542 9.754 1.00 34.22 O ATOM 933 CB LEU A 61 -1.743 -0.257 8.200 1.00 14.23 C ATOM 934 CG LEU A 61 -1.708 -1.555 7.391 1.00 22.31 C ATOM 935 CD1 LEU A 61 -1.767 -1.253 5.902 1.00 24.32 C ATOM 936 CD2 LEU A 61 -0.454 -2.351 7.714 1.00 34.23 C ATOM 0 H LEU A 61 -2.795 1.979 9.579 1.00 52.12 H new ATOM 0 HA LEU A 61 -3.188 0.732 6.935 1.00 44.25 H new ATOM 0 HB2 LEU A 61 -0.865 0.335 7.943 1.00 14.23 H new ATOM 0 HB3 LEU A 61 -1.661 -0.506 9.258 1.00 14.23 H new ATOM 0 HG LEU A 61 -2.579 -2.152 7.662 1.00 22.31 H new ATOM 0 HD11 LEU A 61 -1.741 -2.187 5.340 1.00 24.32 H new ATOM 0 HD12 LEU A 61 -2.690 -0.718 5.675 1.00 24.32 H new ATOM 0 HD13 LEU A 61 -0.913 -0.637 5.622 1.00 24.32 H new ATOM 0 HD21 LEU A 61 -0.446 -3.271 7.129 1.00 34.23 H new ATOM 0 HD22 LEU A 61 0.427 -1.758 7.469 1.00 34.23 H new ATOM 0 HD23 LEU A 61 -0.442 -2.596 8.776 1.00 34.23 H new ATOM 948 N TYR A 62 -5.296 -0.106 7.850 1.00 61.14 N ATOM 949 CA TYR A 62 -6.474 -0.876 8.225 1.00 2.11 C ATOM 950 C TYR A 62 -6.318 -2.303 7.721 1.00 61.41 C ATOM 951 O TYR A 62 -5.731 -2.526 6.660 1.00 72.31 O ATOM 952 CB TYR A 62 -7.753 -0.296 7.611 1.00 3.42 C ATOM 953 CG TYR A 62 -8.180 1.063 8.122 1.00 33.02 C ATOM 954 CD1 TYR A 62 -8.517 1.259 9.455 1.00 71.01 C ATOM 955 CD2 TYR A 62 -8.281 2.138 7.253 1.00 32.31 C ATOM 956 CE1 TYR A 62 -8.935 2.497 9.907 1.00 34.21 C ATOM 957 CE2 TYR A 62 -8.704 3.374 7.696 1.00 3.24 C ATOM 958 CZ TYR A 62 -9.030 3.550 9.022 1.00 71.51 C ATOM 959 OH TYR A 62 -9.464 4.783 9.459 1.00 42.20 O ATOM 0 H TYR A 62 -5.384 0.393 6.964 1.00 61.14 H new ATOM 0 HA TYR A 62 -6.558 -0.842 9.311 1.00 2.11 H new ATOM 0 HB2 TYR A 62 -7.616 -0.229 6.532 1.00 3.42 H new ATOM 0 HB3 TYR A 62 -8.567 -1.000 7.786 1.00 3.42 H new ATOM 0 HD1 TYR A 62 -8.452 0.433 10.148 1.00 71.01 H new ATOM 0 HD2 TYR A 62 -8.024 2.006 6.212 1.00 32.31 H new ATOM 0 HE1 TYR A 62 -9.186 2.638 10.948 1.00 34.21 H new ATOM 0 HE2 TYR A 62 -8.779 4.201 7.005 1.00 3.24 H new ATOM 0 HH TYR A 62 -9.214 4.903 10.399 1.00 42.20 H new ATOM 969 N ASP A 63 -6.845 -3.263 8.462 1.00 1.43 N ATOM 970 CA ASP A 63 -6.844 -4.645 8.012 1.00 11.23 C ATOM 971 C ASP A 63 -8.280 -5.116 7.809 1.00 2.14 C ATOM 972 O ASP A 63 -9.208 -4.594 8.434 1.00 41.23 O ATOM 973 CB ASP A 63 -6.109 -5.558 9.002 1.00 75.31 C ATOM 974 CG ASP A 63 -6.966 -5.986 10.174 1.00 23.54 C ATOM 975 OD1 ASP A 63 -7.087 -5.218 11.149 1.00 53.31 O ATOM 976 OD2 ASP A 63 -7.506 -7.108 10.134 1.00 43.34 O ATOM 0 H ASP A 63 -7.277 -3.112 9.374 1.00 1.43 H new ATOM 0 HA ASP A 63 -6.309 -4.699 7.064 1.00 11.23 H new ATOM 0 HB2 ASP A 63 -5.758 -6.445 8.475 1.00 75.31 H new ATOM 0 HB3 ASP A 63 -5.226 -5.040 9.377 1.00 75.31 H new ATOM 981 N ASP A 64 -8.463 -6.087 6.931 1.00 4.20 N ATOM 982 CA ASP A 64 -9.801 -6.551 6.563 1.00 5.02 C ATOM 983 C ASP A 64 -10.285 -7.700 7.439 1.00 55.24 C ATOM 984 O ASP A 64 -11.159 -8.469 7.036 1.00 31.43 O ATOM 985 CB ASP A 64 -9.840 -6.976 5.096 1.00 34.42 C ATOM 986 CG ASP A 64 -10.059 -5.806 4.163 1.00 73.43 C ATOM 987 OD1 ASP A 64 -11.216 -5.346 4.046 1.00 53.30 O ATOM 988 OD2 ASP A 64 -9.084 -5.342 3.540 1.00 71.13 O ATOM 0 H ASP A 64 -7.703 -6.574 6.455 1.00 4.20 H new ATOM 0 HA ASP A 64 -10.474 -5.708 6.721 1.00 5.02 H new ATOM 0 HB2 ASP A 64 -8.904 -7.472 4.839 1.00 34.42 H new ATOM 0 HB3 ASP A 64 -10.637 -7.706 4.953 1.00 34.42 H new ATOM 993 N SER A 65 -9.739 -7.818 8.636 1.00 53.42 N ATOM 994 CA SER A 65 -10.210 -8.819 9.578 1.00 34.11 C ATOM 995 C SER A 65 -10.649 -8.151 10.878 1.00 25.34 C ATOM 996 O SER A 65 -11.791 -8.314 11.322 1.00 32.22 O ATOM 997 CB SER A 65 -9.120 -9.864 9.845 1.00 23.22 C ATOM 998 OG SER A 65 -9.626 -10.951 10.603 1.00 30.12 O ATOM 0 H SER A 65 -8.973 -7.237 8.978 1.00 53.42 H new ATOM 0 HA SER A 65 -11.069 -9.331 9.144 1.00 34.11 H new ATOM 0 HB2 SER A 65 -8.724 -10.231 8.898 1.00 23.22 H new ATOM 0 HB3 SER A 65 -8.291 -9.400 10.379 1.00 23.22 H new ATOM 0 HG SER A 65 -8.911 -11.603 10.757 1.00 30.12 H new ATOM 1004 N GLY A 66 -9.750 -7.379 11.465 1.00 62.34 N ATOM 1005 CA GLY A 66 -10.043 -6.711 12.710 1.00 23.35 C ATOM 1006 C GLY A 66 -10.400 -5.255 12.510 1.00 30.24 C ATOM 1007 O GLY A 66 -11.574 -4.910 12.391 1.00 60.44 O ATOM 0 H GLY A 66 -8.815 -7.203 11.096 1.00 62.34 H new ATOM 0 HA2 GLY A 66 -10.868 -7.220 13.207 1.00 23.35 H new ATOM 0 HA3 GLY A 66 -9.179 -6.784 13.371 1.00 23.35 H new ATOM 1011 N SER A 67 -9.390 -4.398 12.467 1.00 65.02 N ATOM 1012 CA SER A 67 -9.599 -2.963 12.337 1.00 11.31 C ATOM 1013 C SER A 67 -8.335 -2.258 11.842 1.00 75.32 C ATOM 1014 O SER A 67 -8.228 -1.900 10.669 1.00 43.41 O ATOM 1015 CB SER A 67 -10.012 -2.354 13.682 1.00 3.55 C ATOM 1016 OG SER A 67 -11.222 -2.910 14.171 1.00 12.21 O ATOM 0 H SER A 67 -8.410 -4.675 12.521 1.00 65.02 H new ATOM 0 HA SER A 67 -10.395 -2.818 11.606 1.00 11.31 H new ATOM 0 HB2 SER A 67 -9.218 -2.516 14.412 1.00 3.55 H new ATOM 0 HB3 SER A 67 -10.128 -1.276 13.571 1.00 3.55 H new ATOM 0 HG SER A 67 -11.560 -3.571 13.531 1.00 12.21 H new ATOM 1022 N LYS A 68 -7.374 -2.081 12.744 1.00 11.34 N ATOM 1023 CA LYS A 68 -6.204 -1.255 12.477 1.00 12.01 C ATOM 1024 C LYS A 68 -4.957 -1.929 13.034 1.00 43.03 C ATOM 1025 O LYS A 68 -4.723 -1.909 14.244 1.00 22.42 O ATOM 1026 CB LYS A 68 -6.372 0.128 13.132 1.00 11.52 C ATOM 1027 CG LYS A 68 -7.717 0.785 12.857 1.00 54.44 C ATOM 1028 CD LYS A 68 -7.983 1.968 13.781 1.00 32.53 C ATOM 1029 CE LYS A 68 -7.459 3.285 13.221 1.00 42.22 C ATOM 1030 NZ LYS A 68 -5.977 3.323 13.108 1.00 40.21 N ATOM 0 H LYS A 68 -7.385 -2.503 13.673 1.00 11.34 H new ATOM 0 HA LYS A 68 -6.101 -1.132 11.399 1.00 12.01 H new ATOM 0 HB2 LYS A 68 -6.243 0.026 14.210 1.00 11.52 H new ATOM 0 HB3 LYS A 68 -5.579 0.786 12.776 1.00 11.52 H new ATOM 0 HG2 LYS A 68 -7.749 1.122 11.821 1.00 54.44 H new ATOM 0 HG3 LYS A 68 -8.510 0.047 12.977 1.00 54.44 H new ATOM 0 HD2 LYS A 68 -9.056 2.054 13.954 1.00 32.53 H new ATOM 0 HD3 LYS A 68 -7.518 1.779 14.748 1.00 32.53 H new ATOM 0 HE2 LYS A 68 -7.897 3.454 12.237 1.00 42.22 H new ATOM 0 HE3 LYS A 68 -7.790 4.102 13.862 1.00 42.22 H new ATOM 0 HZ1 LYS A 68 -5.664 4.305 12.969 1.00 40.21 H new ATOM 0 HZ2 LYS A 68 -5.553 2.944 13.979 1.00 40.21 H new ATOM 0 HZ3 LYS A 68 -5.676 2.746 12.297 1.00 40.21 H new ATOM 1044 N VAL A 69 -4.174 -2.542 12.165 1.00 62.12 N ATOM 1045 CA VAL A 69 -2.941 -3.191 12.582 1.00 60.42 C ATOM 1046 C VAL A 69 -1.768 -2.711 11.744 1.00 75.05 C ATOM 1047 O VAL A 69 -1.581 -3.135 10.606 1.00 41.22 O ATOM 1048 CB VAL A 69 -3.034 -4.732 12.517 1.00 60.32 C ATOM 1049 CG1 VAL A 69 -3.779 -5.279 13.723 1.00 41.34 C ATOM 1050 CG2 VAL A 69 -3.714 -5.182 11.241 1.00 71.31 C ATOM 0 H VAL A 69 -4.369 -2.605 11.166 1.00 62.12 H new ATOM 0 HA VAL A 69 -2.780 -2.913 13.624 1.00 60.42 H new ATOM 0 HB VAL A 69 -2.017 -5.125 12.525 1.00 60.32 H new ATOM 0 HG11 VAL A 69 -3.832 -6.366 13.656 1.00 41.34 H new ATOM 0 HG12 VAL A 69 -3.252 -4.997 14.635 1.00 41.34 H new ATOM 0 HG13 VAL A 69 -4.788 -4.867 13.745 1.00 41.34 H new ATOM 0 HG21 VAL A 69 -3.766 -6.271 11.221 1.00 71.31 H new ATOM 0 HG22 VAL A 69 -4.722 -4.770 11.201 1.00 71.31 H new ATOM 0 HG23 VAL A 69 -3.144 -4.830 10.381 1.00 71.31 H new ATOM 1060 N ALA A 70 -0.984 -1.811 12.311 1.00 42.43 N ATOM 1061 CA ALA A 70 0.163 -1.258 11.621 1.00 4.24 C ATOM 1062 C ALA A 70 1.449 -1.643 12.332 1.00 41.32 C ATOM 1063 O ALA A 70 1.718 -1.180 13.443 1.00 21.12 O ATOM 1064 CB ALA A 70 0.047 0.256 11.518 1.00 72.42 C ATOM 0 H ALA A 70 -1.124 -1.447 13.254 1.00 42.43 H new ATOM 0 HA ALA A 70 0.188 -1.671 10.613 1.00 4.24 H new ATOM 0 HB1 ALA A 70 0.918 0.653 10.997 1.00 72.42 H new ATOM 0 HB2 ALA A 70 -0.856 0.515 10.965 1.00 72.42 H new ATOM 0 HB3 ALA A 70 -0.004 0.686 12.518 1.00 72.42 H new ATOM 1070 N VAL A 71 2.233 -2.508 11.703 1.00 31.30 N ATOM 1071 CA VAL A 71 3.520 -2.908 12.251 1.00 31.03 C ATOM 1072 C VAL A 71 4.482 -1.726 12.214 1.00 60.25 C ATOM 1073 O VAL A 71 4.993 -1.295 13.248 1.00 3.34 O ATOM 1074 CB VAL A 71 4.121 -4.101 11.470 1.00 53.23 C ATOM 1075 CG1 VAL A 71 5.426 -4.560 12.101 1.00 35.24 C ATOM 1076 CG2 VAL A 71 3.122 -5.251 11.394 1.00 50.24 C ATOM 0 H VAL A 71 1.999 -2.946 10.812 1.00 31.30 H new ATOM 0 HA VAL A 71 3.366 -3.226 13.282 1.00 31.03 H new ATOM 0 HB VAL A 71 4.337 -3.768 10.455 1.00 53.23 H new ATOM 0 HG11 VAL A 71 5.829 -5.399 11.534 1.00 35.24 H new ATOM 0 HG12 VAL A 71 6.143 -3.739 12.092 1.00 35.24 H new ATOM 0 HG13 VAL A 71 5.243 -4.871 13.130 1.00 35.24 H new ATOM 0 HG21 VAL A 71 3.563 -6.080 10.841 1.00 50.24 H new ATOM 0 HG22 VAL A 71 2.869 -5.581 12.402 1.00 50.24 H new ATOM 0 HG23 VAL A 71 2.219 -4.915 10.885 1.00 50.24 H new ATOM 1086 N LEU A 72 4.729 -1.220 11.003 1.00 44.53 N ATOM 1087 CA LEU A 72 5.503 0.004 10.785 1.00 40.44 C ATOM 1088 C LEU A 72 6.988 -0.220 11.075 1.00 53.22 C ATOM 1089 O LEU A 72 7.793 0.709 11.040 1.00 32.30 O ATOM 1090 CB LEU A 72 4.943 1.159 11.629 1.00 44.23 C ATOM 1091 CG LEU A 72 5.423 2.554 11.227 1.00 60.05 C ATOM 1092 CD1 LEU A 72 5.020 2.860 9.795 1.00 52.41 C ATOM 1093 CD2 LEU A 72 4.860 3.604 12.169 1.00 63.10 C ATOM 0 H LEU A 72 4.395 -1.651 10.141 1.00 44.53 H new ATOM 0 HA LEU A 72 5.411 0.277 9.734 1.00 40.44 H new ATOM 0 HB2 LEU A 72 3.855 1.136 11.570 1.00 44.23 H new ATOM 0 HB3 LEU A 72 5.209 0.988 12.672 1.00 44.23 H new ATOM 0 HG LEU A 72 6.511 2.576 11.295 1.00 60.05 H new ATOM 0 HD11 LEU A 72 5.369 3.856 9.524 1.00 52.41 H new ATOM 0 HD12 LEU A 72 5.467 2.125 9.126 1.00 52.41 H new ATOM 0 HD13 LEU A 72 3.934 2.819 9.706 1.00 52.41 H new ATOM 0 HD21 LEU A 72 5.213 4.590 11.867 1.00 63.10 H new ATOM 0 HD22 LEU A 72 3.771 3.581 12.131 1.00 63.10 H new ATOM 0 HD23 LEU A 72 5.192 3.396 13.186 1.00 63.10 H new ATOM 1105 N SER A 73 7.341 -1.462 11.351 1.00 4.43 N ATOM 1106 CA SER A 73 8.733 -1.845 11.483 1.00 34.33 C ATOM 1107 C SER A 73 9.147 -2.579 10.216 1.00 73.41 C ATOM 1108 O SER A 73 10.316 -2.896 10.009 1.00 62.11 O ATOM 1109 CB SER A 73 8.934 -2.736 12.716 1.00 41.22 C ATOM 1110 OG SER A 73 10.296 -3.100 12.872 1.00 31.40 O ATOM 0 H SER A 73 6.679 -2.225 11.489 1.00 4.43 H new ATOM 0 HA SER A 73 9.352 -0.958 11.616 1.00 34.33 H new ATOM 0 HB2 SER A 73 8.592 -2.210 13.607 1.00 41.22 H new ATOM 0 HB3 SER A 73 8.324 -3.634 12.622 1.00 41.22 H new ATOM 0 HG SER A 73 10.748 -3.055 12.004 1.00 31.40 H new ATOM 1116 N ASP A 74 8.155 -2.822 9.375 1.00 3.33 N ATOM 1117 CA ASP A 74 8.325 -3.532 8.120 1.00 34.51 C ATOM 1118 C ASP A 74 8.559 -2.551 6.979 1.00 33.50 C ATOM 1119 O ASP A 74 9.035 -2.926 5.912 1.00 34.14 O ATOM 1120 CB ASP A 74 7.067 -4.356 7.839 1.00 43.22 C ATOM 1121 CG ASP A 74 5.809 -3.500 7.850 1.00 35.34 C ATOM 1122 OD1 ASP A 74 5.463 -2.955 8.930 1.00 72.25 O ATOM 1123 OD2 ASP A 74 5.167 -3.368 6.793 1.00 52.13 O ATOM 0 H ASP A 74 7.194 -2.526 9.549 1.00 3.33 H new ATOM 0 HA ASP A 74 9.192 -4.188 8.196 1.00 34.51 H new ATOM 0 HB2 ASP A 74 7.164 -4.846 6.870 1.00 43.22 H new ATOM 0 HB3 ASP A 74 6.976 -5.144 8.587 1.00 43.22 H new ATOM 1128 N ASP A 75 8.249 -1.285 7.232 1.00 14.01 N ATOM 1129 CA ASP A 75 8.318 -0.242 6.209 1.00 14.04 C ATOM 1130 C ASP A 75 9.741 -0.076 5.681 1.00 72.41 C ATOM 1131 O ASP A 75 9.953 0.220 4.502 1.00 44.35 O ATOM 1132 CB ASP A 75 7.807 1.087 6.781 1.00 1.45 C ATOM 1133 CG ASP A 75 8.773 1.739 7.761 1.00 72.43 C ATOM 1134 OD1 ASP A 75 9.420 1.019 8.549 1.00 31.44 O ATOM 1135 OD2 ASP A 75 8.874 2.985 7.755 1.00 22.14 O ATOM 0 H ASP A 75 7.944 -0.951 8.146 1.00 14.01 H new ATOM 0 HA ASP A 75 7.684 -0.543 5.375 1.00 14.04 H new ATOM 0 HB2 ASP A 75 7.615 1.777 5.959 1.00 1.45 H new ATOM 0 HB3 ASP A 75 6.854 0.915 7.282 1.00 1.45 H new ATOM 1140 N SER A 76 10.705 -0.284 6.559 1.00 53.01 N ATOM 1141 CA SER A 76 12.105 -0.111 6.228 1.00 2.22 C ATOM 1142 C SER A 76 12.803 -1.458 6.068 1.00 60.43 C ATOM 1143 O SER A 76 14.029 -1.532 5.966 1.00 63.21 O ATOM 1144 CB SER A 76 12.771 0.722 7.318 1.00 3.50 C ATOM 1145 OG SER A 76 12.187 0.451 8.585 1.00 62.35 O ATOM 0 H SER A 76 10.538 -0.578 7.521 1.00 53.01 H new ATOM 0 HA SER A 76 12.187 0.408 5.273 1.00 2.22 H new ATOM 0 HB2 SER A 76 13.838 0.502 7.349 1.00 3.50 H new ATOM 0 HB3 SER A 76 12.671 1.782 7.085 1.00 3.50 H new ATOM 0 HG SER A 76 11.267 0.787 8.600 1.00 62.35 H new ATOM 1151 N ARG A 77 12.014 -2.520 6.035 1.00 22.54 N ATOM 1152 CA ARG A 77 12.542 -3.863 5.871 1.00 61.22 C ATOM 1153 C ARG A 77 11.994 -4.469 4.588 1.00 12.44 C ATOM 1154 O ARG A 77 10.988 -3.993 4.065 1.00 11.43 O ATOM 1155 CB ARG A 77 12.153 -4.746 7.066 1.00 61.24 C ATOM 1156 CG ARG A 77 12.578 -4.194 8.419 1.00 60.41 C ATOM 1157 CD ARG A 77 14.081 -4.035 8.525 1.00 32.53 C ATOM 1158 NE ARG A 77 14.788 -5.295 8.310 1.00 13.15 N ATOM 1159 CZ ARG A 77 15.763 -5.747 9.095 1.00 13.02 C ATOM 1160 NH1 ARG A 77 16.099 -5.087 10.199 1.00 34.25 N ATOM 1161 NH2 ARG A 77 16.397 -6.868 8.783 1.00 10.13 N ATOM 0 H ARG A 77 10.999 -2.476 6.120 1.00 22.54 H new ATOM 0 HA ARG A 77 13.629 -3.809 5.818 1.00 61.22 H new ATOM 0 HB2 ARG A 77 11.071 -4.881 7.066 1.00 61.24 H new ATOM 0 HB3 ARG A 77 12.598 -5.732 6.934 1.00 61.24 H new ATOM 0 HG2 ARG A 77 12.100 -3.228 8.582 1.00 60.41 H new ATOM 0 HG3 ARG A 77 12.228 -4.860 9.208 1.00 60.41 H new ATOM 0 HD2 ARG A 77 14.419 -3.302 7.793 1.00 32.53 H new ATOM 0 HD3 ARG A 77 14.334 -3.642 9.510 1.00 32.53 H new ATOM 0 HE ARG A 77 14.517 -5.864 7.508 1.00 13.15 H new ATOM 0 HH11 ARG A 77 15.608 -4.228 10.449 1.00 34.25 H new ATOM 0 HH12 ARG A 77 16.847 -5.439 10.796 1.00 34.25 H new ATOM 0 HH21 ARG A 77 16.138 -7.383 7.942 1.00 10.13 H new ATOM 0 HH22 ARG A 77 17.144 -7.215 9.384 1.00 10.13 H new ATOM 1175 N PRO A 78 12.651 -5.504 4.040 1.00 35.41 N ATOM 1176 CA PRO A 78 12.110 -6.248 2.903 1.00 3.24 C ATOM 1177 C PRO A 78 10.756 -6.854 3.249 1.00 23.53 C ATOM 1178 O PRO A 78 10.670 -7.774 4.059 1.00 74.13 O ATOM 1179 CB PRO A 78 13.151 -7.347 2.654 1.00 41.20 C ATOM 1180 CG PRO A 78 14.403 -6.841 3.285 1.00 4.11 C ATOM 1181 CD PRO A 78 13.967 -6.016 4.463 1.00 51.31 C ATOM 0 HA PRO A 78 11.944 -5.619 2.028 1.00 3.24 H new ATOM 0 HB2 PRO A 78 12.840 -8.293 3.097 1.00 41.20 H new ATOM 0 HB3 PRO A 78 13.290 -7.525 1.588 1.00 41.20 H new ATOM 0 HG2 PRO A 78 15.042 -7.666 3.601 1.00 4.11 H new ATOM 0 HG3 PRO A 78 14.981 -6.242 2.581 1.00 4.11 H new ATOM 0 HD2 PRO A 78 13.894 -6.615 5.371 1.00 51.31 H new ATOM 0 HD3 PRO A 78 14.667 -5.207 4.670 1.00 51.31 H new ATOM 1189 N LEU A 79 9.702 -6.328 2.640 1.00 23.34 N ATOM 1190 CA LEU A 79 8.332 -6.701 2.993 1.00 12.33 C ATOM 1191 C LEU A 79 8.093 -8.207 2.820 1.00 0.45 C ATOM 1192 O LEU A 79 7.260 -8.796 3.511 1.00 52.02 O ATOM 1193 CB LEU A 79 7.345 -5.896 2.141 1.00 62.02 C ATOM 1194 CG LEU A 79 5.881 -5.974 2.574 1.00 24.00 C ATOM 1195 CD1 LEU A 79 5.704 -5.405 3.976 1.00 75.53 C ATOM 1196 CD2 LEU A 79 4.995 -5.233 1.583 1.00 11.11 C ATOM 0 H LEU A 79 9.767 -5.636 1.893 1.00 23.34 H new ATOM 0 HA LEU A 79 8.174 -6.468 4.046 1.00 12.33 H new ATOM 0 HB2 LEU A 79 7.653 -4.850 2.151 1.00 62.02 H new ATOM 0 HB3 LEU A 79 7.419 -6.240 1.109 1.00 62.02 H new ATOM 0 HG LEU A 79 5.583 -7.022 2.590 1.00 24.00 H new ATOM 0 HD11 LEU A 79 4.655 -5.470 4.265 1.00 75.53 H new ATOM 0 HD12 LEU A 79 6.310 -5.976 4.679 1.00 75.53 H new ATOM 0 HD13 LEU A 79 6.020 -4.362 3.988 1.00 75.53 H new ATOM 0 HD21 LEU A 79 3.956 -5.298 1.905 1.00 11.11 H new ATOM 0 HD22 LEU A 79 5.296 -4.186 1.537 1.00 11.11 H new ATOM 0 HD23 LEU A 79 5.098 -5.683 0.596 1.00 11.11 H new ATOM 1208 N GLY A 80 8.847 -8.823 1.919 1.00 51.51 N ATOM 1209 CA GLY A 80 8.711 -10.248 1.672 1.00 73.41 C ATOM 1210 C GLY A 80 9.322 -11.093 2.774 1.00 45.33 C ATOM 1211 O GLY A 80 9.143 -12.309 2.806 1.00 34.12 O ATOM 0 H GLY A 80 9.555 -8.359 1.351 1.00 51.51 H new ATOM 0 HA2 GLY A 80 7.654 -10.496 1.573 1.00 73.41 H new ATOM 0 HA3 GLY A 80 9.187 -10.495 0.723 1.00 73.41 H new ATOM 1215 N PHE A 81 10.063 -10.450 3.668 1.00 70.25 N ATOM 1216 CA PHE A 81 10.648 -11.134 4.810 1.00 15.52 C ATOM 1217 C PHE A 81 9.582 -11.347 5.877 1.00 41.11 C ATOM 1218 O PHE A 81 9.490 -12.421 6.475 1.00 73.21 O ATOM 1219 CB PHE A 81 11.822 -10.313 5.358 1.00 73.15 C ATOM 1220 CG PHE A 81 12.558 -10.957 6.502 1.00 53.13 C ATOM 1221 CD1 PHE A 81 13.442 -11.998 6.275 1.00 72.42 C ATOM 1222 CD2 PHE A 81 12.372 -10.511 7.802 1.00 73.43 C ATOM 1223 CE1 PHE A 81 14.128 -12.582 7.324 1.00 62.05 C ATOM 1224 CE2 PHE A 81 13.052 -11.092 8.853 1.00 71.25 C ATOM 1225 CZ PHE A 81 13.932 -12.130 8.614 1.00 11.13 C ATOM 0 H PHE A 81 10.272 -9.453 3.622 1.00 70.25 H new ATOM 0 HA PHE A 81 11.027 -12.109 4.503 1.00 15.52 H new ATOM 0 HB2 PHE A 81 12.527 -10.127 4.548 1.00 73.15 H new ATOM 0 HB3 PHE A 81 11.448 -9.342 5.684 1.00 73.15 H new ATOM 0 HD1 PHE A 81 13.597 -12.358 5.269 1.00 72.42 H new ATOM 0 HD2 PHE A 81 11.686 -9.699 7.994 1.00 73.43 H new ATOM 0 HE1 PHE A 81 14.817 -13.392 7.134 1.00 62.05 H new ATOM 0 HE2 PHE A 81 12.897 -10.736 9.861 1.00 71.25 H new ATOM 0 HZ PHE A 81 14.465 -12.587 9.434 1.00 11.13 H new ATOM 1235 N PHE A 82 8.772 -10.321 6.097 1.00 44.14 N ATOM 1236 CA PHE A 82 7.661 -10.408 7.029 1.00 34.43 C ATOM 1237 C PHE A 82 6.499 -11.171 6.396 1.00 14.40 C ATOM 1238 O PHE A 82 5.867 -12.002 7.050 1.00 72.15 O ATOM 1239 CB PHE A 82 7.216 -9.001 7.443 1.00 70.31 C ATOM 1240 CG PHE A 82 6.136 -8.985 8.491 1.00 51.24 C ATOM 1241 CD1 PHE A 82 6.447 -9.180 9.826 1.00 50.15 C ATOM 1242 CD2 PHE A 82 4.810 -8.776 8.140 1.00 52.03 C ATOM 1243 CE1 PHE A 82 5.458 -9.169 10.791 1.00 0.52 C ATOM 1244 CE2 PHE A 82 3.817 -8.764 9.102 1.00 12.50 C ATOM 1245 CZ PHE A 82 4.143 -8.960 10.428 1.00 34.43 C ATOM 0 H PHE A 82 8.866 -9.415 5.639 1.00 44.14 H new ATOM 0 HA PHE A 82 7.985 -10.949 7.918 1.00 34.43 H new ATOM 0 HB2 PHE A 82 8.080 -8.453 7.818 1.00 70.31 H new ATOM 0 HB3 PHE A 82 6.860 -8.469 6.561 1.00 70.31 H new ATOM 0 HD1 PHE A 82 7.474 -9.343 10.116 1.00 50.15 H new ATOM 0 HD2 PHE A 82 4.550 -8.621 7.103 1.00 52.03 H new ATOM 0 HE1 PHE A 82 5.714 -9.324 11.829 1.00 0.52 H new ATOM 0 HE2 PHE A 82 2.788 -8.602 8.816 1.00 12.50 H new ATOM 0 HZ PHE A 82 3.370 -8.950 11.182 1.00 34.43 H new ATOM 1255 N SER A 83 6.243 -10.884 5.118 1.00 5.31 N ATOM 1256 CA SER A 83 5.166 -11.522 4.360 1.00 13.21 C ATOM 1257 C SER A 83 3.795 -11.098 4.892 1.00 51.43 C ATOM 1258 O SER A 83 3.252 -11.708 5.817 1.00 53.45 O ATOM 1259 CB SER A 83 5.307 -13.049 4.381 1.00 34.24 C ATOM 1260 OG SER A 83 4.289 -13.671 3.617 1.00 4.42 O ATOM 0 H SER A 83 6.777 -10.202 4.580 1.00 5.31 H new ATOM 0 HA SER A 83 5.246 -11.189 3.325 1.00 13.21 H new ATOM 0 HB2 SER A 83 6.284 -13.331 3.988 1.00 34.24 H new ATOM 0 HB3 SER A 83 5.262 -13.406 5.410 1.00 34.24 H new ATOM 0 HG SER A 83 4.405 -14.644 3.647 1.00 4.42 H new ATOM 1266 N PRO A 84 3.229 -10.026 4.323 1.00 40.12 N ATOM 1267 CA PRO A 84 1.921 -9.515 4.712 1.00 61.31 C ATOM 1268 C PRO A 84 0.782 -10.136 3.902 1.00 53.52 C ATOM 1269 O PRO A 84 1.010 -10.932 2.987 1.00 54.44 O ATOM 1270 CB PRO A 84 2.055 -8.032 4.393 1.00 33.13 C ATOM 1271 CG PRO A 84 2.932 -7.991 3.183 1.00 34.05 C ATOM 1272 CD PRO A 84 3.831 -9.204 3.256 1.00 0.45 C ATOM 0 HA PRO A 84 1.673 -9.739 5.749 1.00 61.31 H new ATOM 0 HB2 PRO A 84 1.084 -7.578 4.196 1.00 33.13 H new ATOM 0 HB3 PRO A 84 2.499 -7.485 5.225 1.00 33.13 H new ATOM 0 HG2 PRO A 84 2.335 -8.007 2.271 1.00 34.05 H new ATOM 0 HG3 PRO A 84 3.521 -7.074 3.163 1.00 34.05 H new ATOM 0 HD2 PRO A 84 3.859 -9.739 2.307 1.00 0.45 H new ATOM 0 HD3 PRO A 84 4.858 -8.927 3.496 1.00 0.45 H new ATOM 1280 N PHE A 85 -0.442 -9.762 4.243 1.00 25.14 N ATOM 1281 CA PHE A 85 -1.615 -10.236 3.524 1.00 13.43 C ATOM 1282 C PHE A 85 -2.018 -9.215 2.468 1.00 41.34 C ATOM 1283 O PHE A 85 -1.419 -8.144 2.378 1.00 72.13 O ATOM 1284 CB PHE A 85 -2.776 -10.472 4.493 1.00 61.54 C ATOM 1285 CG PHE A 85 -2.418 -11.354 5.656 1.00 63.12 C ATOM 1286 CD1 PHE A 85 -2.383 -12.730 5.516 1.00 4.52 C ATOM 1287 CD2 PHE A 85 -2.117 -10.805 6.894 1.00 33.11 C ATOM 1288 CE1 PHE A 85 -2.055 -13.543 6.584 1.00 44.23 C ATOM 1289 CE2 PHE A 85 -1.788 -11.611 7.964 1.00 34.11 C ATOM 1290 CZ PHE A 85 -1.758 -12.983 7.810 1.00 11.55 C ATOM 0 H PHE A 85 -0.649 -9.129 5.016 1.00 25.14 H new ATOM 0 HA PHE A 85 -1.372 -11.180 3.037 1.00 13.43 H new ATOM 0 HB2 PHE A 85 -3.125 -9.511 4.870 1.00 61.54 H new ATOM 0 HB3 PHE A 85 -3.607 -10.921 3.949 1.00 61.54 H new ATOM 0 HD1 PHE A 85 -2.615 -13.174 4.559 1.00 4.52 H new ATOM 0 HD2 PHE A 85 -2.141 -9.733 7.022 1.00 33.11 H new ATOM 0 HE1 PHE A 85 -2.031 -14.616 6.460 1.00 44.23 H new ATOM 0 HE2 PHE A 85 -1.554 -11.169 8.921 1.00 34.11 H new ATOM 0 HZ PHE A 85 -1.503 -13.616 8.647 1.00 11.55 H new ATOM 1300 N ASP A 86 -3.025 -9.542 1.671 1.00 3.42 N ATOM 1301 CA ASP A 86 -3.492 -8.627 0.635 1.00 2.42 C ATOM 1302 C ASP A 86 -4.674 -7.802 1.137 1.00 25.34 C ATOM 1303 O ASP A 86 -5.106 -6.856 0.480 1.00 61.15 O ATOM 1304 CB ASP A 86 -3.886 -9.390 -0.636 1.00 3.13 C ATOM 1305 CG ASP A 86 -5.220 -10.101 -0.518 1.00 50.10 C ATOM 1306 OD1 ASP A 86 -5.284 -11.149 0.158 1.00 24.41 O ATOM 1307 OD2 ASP A 86 -6.212 -9.618 -1.107 1.00 54.14 O ATOM 0 H ASP A 86 -3.532 -10.426 1.719 1.00 3.42 H new ATOM 0 HA ASP A 86 -2.671 -7.953 0.392 1.00 2.42 H new ATOM 0 HB2 ASP A 86 -3.926 -8.692 -1.473 1.00 3.13 H new ATOM 0 HB3 ASP A 86 -3.111 -10.121 -0.868 1.00 3.13 H new ATOM 1312 N GLY A 87 -5.192 -8.165 2.303 1.00 10.11 N ATOM 1313 CA GLY A 87 -6.308 -7.439 2.878 1.00 45.22 C ATOM 1314 C GLY A 87 -5.854 -6.316 3.788 1.00 1.13 C ATOM 1315 O GLY A 87 -6.098 -6.349 4.996 1.00 41.14 O ATOM 0 H GLY A 87 -4.859 -8.951 2.862 1.00 10.11 H new ATOM 0 HA2 GLY A 87 -6.923 -7.029 2.077 1.00 45.22 H new ATOM 0 HA3 GLY A 87 -6.936 -8.129 3.441 1.00 45.22 H new ATOM 1319 N PHE A 88 -5.177 -5.332 3.206 1.00 31.33 N ATOM 1320 CA PHE A 88 -4.697 -4.178 3.953 1.00 11.53 C ATOM 1321 C PHE A 88 -4.982 -2.885 3.197 1.00 54.51 C ATOM 1322 O PHE A 88 -4.868 -2.827 1.967 1.00 73.14 O ATOM 1323 CB PHE A 88 -3.195 -4.284 4.228 1.00 10.12 C ATOM 1324 CG PHE A 88 -2.840 -5.247 5.325 1.00 53.33 C ATOM 1325 CD1 PHE A 88 -3.108 -4.935 6.650 1.00 74.22 C ATOM 1326 CD2 PHE A 88 -2.228 -6.454 5.038 1.00 50.42 C ATOM 1327 CE1 PHE A 88 -2.776 -5.810 7.663 1.00 1.21 C ATOM 1328 CE2 PHE A 88 -1.894 -7.333 6.047 1.00 42.11 C ATOM 1329 CZ PHE A 88 -2.166 -7.012 7.362 1.00 40.42 C ATOM 0 H PHE A 88 -4.948 -5.312 2.212 1.00 31.33 H new ATOM 0 HA PHE A 88 -5.230 -4.162 4.904 1.00 11.53 H new ATOM 0 HB2 PHE A 88 -2.689 -4.590 3.312 1.00 10.12 H new ATOM 0 HB3 PHE A 88 -2.813 -3.297 4.488 1.00 10.12 H new ATOM 0 HD1 PHE A 88 -3.582 -3.995 6.891 1.00 74.22 H new ATOM 0 HD2 PHE A 88 -2.009 -6.711 4.012 1.00 50.42 H new ATOM 0 HE1 PHE A 88 -2.993 -5.556 8.690 1.00 1.21 H new ATOM 0 HE2 PHE A 88 -1.419 -8.273 5.808 1.00 42.11 H new ATOM 0 HZ PHE A 88 -1.903 -7.699 8.153 1.00 40.42 H new ATOM 1339 N ARG A 89 -5.353 -1.850 3.935 1.00 4.44 N ATOM 1340 CA ARG A 89 -5.628 -0.548 3.350 1.00 44.43 C ATOM 1341 C ARG A 89 -4.556 0.458 3.738 1.00 21.14 C ATOM 1342 O ARG A 89 -4.378 0.761 4.919 1.00 22.23 O ATOM 1343 CB ARG A 89 -6.996 -0.028 3.799 1.00 74.43 C ATOM 1344 CG ARG A 89 -8.168 -0.729 3.141 1.00 72.44 C ATOM 1345 CD ARG A 89 -9.493 -0.233 3.701 1.00 22.34 C ATOM 1346 NE ARG A 89 -10.633 -0.701 2.917 1.00 51.45 N ATOM 1347 CZ ARG A 89 -11.171 -1.917 3.022 1.00 30.12 C ATOM 1348 NH1 ARG A 89 -10.705 -2.777 3.912 1.00 22.21 N ATOM 1349 NH2 ARG A 89 -12.188 -2.254 2.243 1.00 73.23 N ATOM 0 H ARG A 89 -5.471 -1.888 4.947 1.00 4.44 H new ATOM 0 HA ARG A 89 -5.629 -0.668 2.267 1.00 44.43 H new ATOM 0 HB2 ARG A 89 -7.079 -0.140 4.880 1.00 74.43 H new ATOM 0 HB3 ARG A 89 -7.056 1.039 3.584 1.00 74.43 H new ATOM 0 HG2 ARG A 89 -8.139 -0.559 2.065 1.00 72.44 H new ATOM 0 HG3 ARG A 89 -8.085 -1.805 3.296 1.00 72.44 H new ATOM 0 HD2 ARG A 89 -9.599 -0.572 4.732 1.00 22.34 H new ATOM 0 HD3 ARG A 89 -9.491 0.857 3.722 1.00 22.34 H new ATOM 0 HE ARG A 89 -11.045 -0.055 2.244 1.00 51.45 H new ATOM 0 HH11 ARG A 89 -9.931 -2.511 4.521 1.00 22.21 H new ATOM 0 HH12 ARG A 89 -11.119 -3.706 3.989 1.00 22.21 H new ATOM 0 HH21 ARG A 89 -12.556 -1.585 1.567 1.00 73.23 H new ATOM 0 HH22 ARG A 89 -12.603 -3.183 2.319 1.00 73.23 H new ATOM 1363 N LEU A 90 -3.851 0.971 2.743 1.00 25.41 N ATOM 1364 CA LEU A 90 -2.876 2.026 2.959 1.00 60.42 C ATOM 1365 C LEU A 90 -3.601 3.354 3.105 1.00 63.10 C ATOM 1366 O LEU A 90 -3.881 4.034 2.118 1.00 34.44 O ATOM 1367 CB LEU A 90 -1.877 2.093 1.800 1.00 11.35 C ATOM 1368 CG LEU A 90 -1.052 0.824 1.574 1.00 1.33 C ATOM 1369 CD1 LEU A 90 -0.138 0.994 0.371 1.00 62.23 C ATOM 1370 CD2 LEU A 90 -0.240 0.489 2.817 1.00 71.34 C ATOM 0 H LEU A 90 -3.937 0.671 1.772 1.00 25.41 H new ATOM 0 HA LEU A 90 -2.318 1.811 3.870 1.00 60.42 H new ATOM 0 HB2 LEU A 90 -2.423 2.320 0.884 1.00 11.35 H new ATOM 0 HB3 LEU A 90 -1.194 2.924 1.978 1.00 11.35 H new ATOM 0 HG LEU A 90 -1.735 -0.002 1.376 1.00 1.33 H new ATOM 0 HD11 LEU A 90 0.442 0.083 0.223 1.00 62.23 H new ATOM 0 HD12 LEU A 90 -0.738 1.190 -0.517 1.00 62.23 H new ATOM 0 HD13 LEU A 90 0.539 1.831 0.543 1.00 62.23 H new ATOM 0 HD21 LEU A 90 0.341 -0.416 2.639 1.00 71.34 H new ATOM 0 HD22 LEU A 90 0.435 1.314 3.044 1.00 71.34 H new ATOM 0 HD23 LEU A 90 -0.913 0.328 3.659 1.00 71.34 H new ATOM 1382 N HIS A 91 -3.936 3.694 4.333 1.00 42.35 N ATOM 1383 CA HIS A 91 -4.713 4.884 4.622 1.00 54.41 C ATOM 1384 C HIS A 91 -3.789 6.086 4.747 1.00 51.41 C ATOM 1385 O HIS A 91 -3.171 6.306 5.787 1.00 44.02 O ATOM 1386 CB HIS A 91 -5.517 4.674 5.911 1.00 23.42 C ATOM 1387 CG HIS A 91 -6.503 5.757 6.230 1.00 23.42 C ATOM 1388 ND1 HIS A 91 -6.924 6.018 7.513 1.00 1.22 N ATOM 1389 CD2 HIS A 91 -7.175 6.621 5.432 1.00 35.32 C ATOM 1390 CE1 HIS A 91 -7.819 6.989 7.493 1.00 43.11 C ATOM 1391 NE2 HIS A 91 -7.990 7.376 6.243 1.00 31.53 N ATOM 0 H HIS A 91 -3.678 3.154 5.159 1.00 42.35 H new ATOM 0 HA HIS A 91 -5.411 5.073 3.806 1.00 54.41 H new ATOM 0 HB2 HIS A 91 -6.052 3.727 5.837 1.00 23.42 H new ATOM 0 HB3 HIS A 91 -4.820 4.582 6.744 1.00 23.42 H new ATOM 0 HD1 HIS A 91 -6.596 5.536 8.350 1.00 1.22 H new ATOM 0 HD2 HIS A 91 -7.087 6.702 4.359 1.00 35.32 H new ATOM 0 HE1 HIS A 91 -8.326 7.398 8.355 1.00 43.11 H new ATOM 1400 N ILE A 92 -3.684 6.839 3.666 1.00 43.23 N ATOM 1401 CA ILE A 92 -2.830 8.014 3.627 1.00 74.31 C ATOM 1402 C ILE A 92 -3.357 9.088 4.571 1.00 2.34 C ATOM 1403 O ILE A 92 -4.450 9.620 4.372 1.00 23.34 O ATOM 1404 CB ILE A 92 -2.740 8.589 2.197 1.00 24.20 C ATOM 1405 CG1 ILE A 92 -2.212 7.525 1.230 1.00 33.33 C ATOM 1406 CG2 ILE A 92 -1.853 9.827 2.171 1.00 24.14 C ATOM 1407 CD1 ILE A 92 -2.164 7.982 -0.213 1.00 74.41 C ATOM 0 H ILE A 92 -4.184 6.655 2.796 1.00 43.23 H new ATOM 0 HA ILE A 92 -1.833 7.708 3.946 1.00 74.31 H new ATOM 0 HB ILE A 92 -3.740 8.882 1.877 1.00 24.20 H new ATOM 0 HG12 ILE A 92 -1.210 7.229 1.541 1.00 33.33 H new ATOM 0 HG13 ILE A 92 -2.842 6.639 1.300 1.00 33.33 H new ATOM 0 HG21 ILE A 92 -1.802 10.217 1.154 1.00 24.14 H new ATOM 0 HG22 ILE A 92 -2.270 10.587 2.831 1.00 24.14 H new ATOM 0 HG23 ILE A 92 -0.851 9.564 2.509 1.00 24.14 H new ATOM 0 HD11 ILE A 92 -1.780 7.175 -0.837 1.00 74.41 H new ATOM 0 HD12 ILE A 92 -3.168 8.250 -0.543 1.00 74.41 H new ATOM 0 HD13 ILE A 92 -1.510 8.850 -0.298 1.00 74.41 H new ATOM 1419 N ILE A 93 -2.594 9.382 5.608 1.00 30.25 N ATOM 1420 CA ILE A 93 -2.990 10.382 6.581 1.00 61.44 C ATOM 1421 C ILE A 93 -2.327 11.719 6.279 1.00 43.43 C ATOM 1422 O ILE A 93 -1.176 11.959 6.660 1.00 4.40 O ATOM 1423 CB ILE A 93 -2.641 9.951 8.027 1.00 35.13 C ATOM 1424 CG1 ILE A 93 -3.325 8.627 8.375 1.00 1.23 C ATOM 1425 CG2 ILE A 93 -3.047 11.027 9.025 1.00 1.45 C ATOM 1426 CD1 ILE A 93 -4.837 8.682 8.306 1.00 13.41 C ATOM 0 H ILE A 93 -1.694 8.941 5.798 1.00 30.25 H new ATOM 0 HA ILE A 93 -4.072 10.486 6.506 1.00 61.44 H new ATOM 0 HB ILE A 93 -1.561 9.813 8.085 1.00 35.13 H new ATOM 0 HG12 ILE A 93 -2.968 7.855 7.694 1.00 1.23 H new ATOM 0 HG13 ILE A 93 -3.027 8.328 9.380 1.00 1.23 H new ATOM 0 HG21 ILE A 93 -2.792 10.702 10.034 1.00 1.45 H new ATOM 0 HG22 ILE A 93 -2.518 11.953 8.797 1.00 1.45 H new ATOM 0 HG23 ILE A 93 -4.122 11.197 8.959 1.00 1.45 H new ATOM 0 HD11 ILE A 93 -5.249 7.707 8.566 1.00 13.41 H new ATOM 0 HD12 ILE A 93 -5.206 9.430 9.007 1.00 13.41 H new ATOM 0 HD13 ILE A 93 -5.146 8.949 7.295 1.00 13.41 H new ATOM 1438 N ASP A 94 -3.040 12.567 5.558 1.00 54.11 N ATOM 1439 CA ASP A 94 -2.605 13.937 5.365 1.00 23.43 C ATOM 1440 C ASP A 94 -3.266 14.822 6.411 1.00 11.31 C ATOM 1441 O ASP A 94 -4.475 15.052 6.385 1.00 65.52 O ATOM 1442 CB ASP A 94 -2.893 14.445 3.936 1.00 74.20 C ATOM 1443 CG ASP A 94 -4.322 14.216 3.465 1.00 65.04 C ATOM 1444 OD1 ASP A 94 -5.200 15.055 3.756 1.00 2.11 O ATOM 1445 OD2 ASP A 94 -4.568 13.204 2.770 1.00 74.32 O ATOM 0 H ASP A 94 -3.920 12.331 5.099 1.00 54.11 H new ATOM 0 HA ASP A 94 -1.523 13.977 5.488 1.00 23.43 H new ATOM 0 HB2 ASP A 94 -2.675 15.512 3.892 1.00 74.20 H new ATOM 0 HB3 ASP A 94 -2.211 13.951 3.243 1.00 74.20 H new ATOM 1450 N LEU A 95 -2.475 15.271 7.371 1.00 15.42 N ATOM 1451 CA LEU A 95 -2.992 16.096 8.450 1.00 24.34 C ATOM 1452 C LEU A 95 -3.396 17.461 7.920 1.00 35.53 C ATOM 1453 O LEU A 95 -4.583 17.750 7.755 1.00 25.43 O ATOM 1454 CB LEU A 95 -1.952 16.237 9.567 1.00 72.00 C ATOM 1455 CG LEU A 95 -1.585 14.933 10.278 1.00 64.20 C ATOM 1456 CD1 LEU A 95 -0.499 15.179 11.315 1.00 4.42 C ATOM 1457 CD2 LEU A 95 -2.815 14.319 10.933 1.00 15.32 C ATOM 0 H LEU A 95 -1.475 15.079 7.425 1.00 15.42 H new ATOM 0 HA LEU A 95 -3.874 15.610 8.866 1.00 24.34 H new ATOM 0 HB2 LEU A 95 -1.045 16.671 9.146 1.00 72.00 H new ATOM 0 HB3 LEU A 95 -2.329 16.943 10.307 1.00 72.00 H new ATOM 0 HG LEU A 95 -1.202 14.232 9.536 1.00 64.20 H new ATOM 0 HD11 LEU A 95 -0.250 14.241 11.811 1.00 4.42 H new ATOM 0 HD12 LEU A 95 0.389 15.577 10.824 1.00 4.42 H new ATOM 0 HD13 LEU A 95 -0.857 15.896 12.054 1.00 4.42 H new ATOM 0 HD21 LEU A 95 -2.536 13.392 11.434 1.00 15.32 H new ATOM 0 HD22 LEU A 95 -3.225 15.017 11.663 1.00 15.32 H new ATOM 0 HD23 LEU A 95 -3.566 14.108 10.171 1.00 15.32 H new ATOM 1469 N ASP A 96 -2.416 18.287 7.631 1.00 53.53 N ATOM 1470 CA ASP A 96 -2.666 19.597 7.066 1.00 72.41 C ATOM 1471 C ASP A 96 -1.830 19.794 5.812 1.00 64.25 C ATOM 1472 O ASP A 96 -0.613 19.614 5.829 1.00 64.22 O ATOM 1473 CB ASP A 96 -2.379 20.702 8.091 1.00 32.23 C ATOM 1474 CG ASP A 96 -1.003 20.600 8.720 1.00 32.24 C ATOM 1475 OD1 ASP A 96 -0.866 19.915 9.757 1.00 24.13 O ATOM 1476 OD2 ASP A 96 -0.055 21.214 8.195 1.00 30.34 O ATOM 0 H ASP A 96 -1.430 18.074 7.779 1.00 53.53 H new ATOM 0 HA ASP A 96 -3.720 19.660 6.796 1.00 72.41 H new ATOM 0 HB2 ASP A 96 -2.476 21.672 7.604 1.00 32.23 H new ATOM 0 HB3 ASP A 96 -3.133 20.662 8.877 1.00 32.23 H new ATOM 1481 N PRO A 97 -2.486 20.107 4.691 1.00 72.52 N ATOM 1482 CA PRO A 97 -1.814 20.355 3.417 1.00 65.44 C ATOM 1483 C PRO A 97 -1.159 21.731 3.375 1.00 62.20 C ATOM 1484 O PRO A 97 0.024 21.841 3.761 1.00 37.47 O ATOM 1485 CB PRO A 97 -2.945 20.261 2.377 1.00 10.14 C ATOM 1486 CG PRO A 97 -4.156 19.808 3.130 1.00 13.31 C ATOM 1487 CD PRO A 97 -3.939 20.223 4.555 1.00 73.52 C ATOM 1488 OXT PRO A 97 -1.825 22.698 2.945 1.00 37.47 O ATOM 0 HA PRO A 97 -1.006 19.645 3.239 1.00 65.44 H new ATOM 0 HB2 PRO A 97 -3.119 21.226 1.901 1.00 10.14 H new ATOM 0 HB3 PRO A 97 -2.691 19.556 1.585 1.00 10.14 H new ATOM 0 HG2 PRO A 97 -5.060 20.263 2.725 1.00 13.31 H new ATOM 0 HG3 PRO A 97 -4.281 18.728 3.053 1.00 13.31 H new ATOM 0 HD2 PRO A 97 -4.286 21.240 4.741 1.00 73.52 H new ATOM 0 HD3 PRO A 97 -4.467 19.574 5.253 1.00 73.52 H new