USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1148 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 125 SER OG : rot 180:sc= 0.599 USER MOD Set 1.2: A 127 ASN : amide:sc= 0.559 K(o=1.2,f=-0.0025) USER MOD Set 2.1: A 108 SER OG : rot -77:sc= 0.741 USER MOD Set 2.2: A 109 HIS : no HD1:sc= -3.98! C(o=-3.2!,f=-6.2!) USER MOD Set 3.1: A 30 GLN : amide:sc= 1.26 K(o=3.7,f=1.3) USER MOD Set 3.2: A 75 TYR OH : rot 26:sc= 0.844 USER MOD Set 3.3: A 159 THR OG1 : rot 166:sc= 1.6 USER MOD Set 4.1: A 27 GLN : amide:sc= 0.0944 X(o=-4.3,f=-4.4) USER MOD Set 4.2: A 163 ASN :FLIP amide:sc= -4.38! C(o=-4.4!,f=-4.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.194 F(o=-3.8!,f=-0.19) USER MOD Single : A 35 MET CE :methyl 164:sc= -2.22 (180deg=-2.68!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -108:sc= -0.645 (180deg=-2.58!) USER MOD Single : A 54 MET CE :methyl 136:sc= -1.02 (180deg=-4.02!) USER MOD Single : A 57 HIS : no HE2:sc= 0.484 K(o=0.48,f=-2.3!) USER MOD Single : A 59 ASN : amide:sc= 0.301 K(o=0.3,f=-4.9!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0318) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.678) USER MOD Single : A 85 ASN : amide:sc= 0.00354 K(o=0.0035,f=-2.2) USER MOD Single : A 88 CYS SG : rot -36:sc= 0.234 USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.0616 F(o=-1.3,f=-0.062) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0359 (180deg=-0.257) USER MOD Single : A 98 MET CE :methyl -136:sc= -1.11 (180deg=-1.92) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.0071) USER MOD Single : A 110 GLN :FLIP amide:sc= -0.46 F(o=-1.5,f=-0.46) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.0685 X(o=-0.068,f=-0.04) USER MOD Single : A 115 THR OG1 : rot 100:sc= -0.254 USER MOD Single : A 116 SER OG : rot 80:sc= 1.2 USER MOD Single : A 117 HIS :FLIP no HE2:sc= 0.412 F(o=-1.3,f=0.41) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 122 CYS SG : rot 11:sc= -1.3! USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 146 MET CE :methyl -157:sc= -0.2 (180deg=-0.777) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot -32:sc= 0.422 USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= 0.44 X(o=0.44,f=-0.0081) USER MOD Single : A 160 THR OG1 : rot 80:sc= 0.809 USER MOD Single : A 161 THR OG1 : rot 76:sc= 1.08 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 ASN : amide:sc= -0.0896 X(o=-0.09,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 215 N ARG A 14 -0.639 12.645 14.016 1.00 12.23 N ATOM 216 CA ARG A 14 0.604 11.868 13.906 1.00 35.15 C ATOM 217 C ARG A 14 0.742 10.866 15.059 1.00 52.43 C ATOM 218 O ARG A 14 0.109 11.006 16.108 1.00 13.32 O ATOM 219 CB ARG A 14 1.839 12.788 13.863 1.00 33.22 C ATOM 220 CG ARG A 14 1.974 13.736 15.056 1.00 40.12 C ATOM 221 CD ARG A 14 1.103 14.980 14.908 1.00 3.25 C ATOM 222 NE ARG A 14 1.214 15.861 16.066 1.00 1.44 N ATOM 223 CZ ARG A 14 1.500 17.132 16.007 1.00 11.25 C ATOM 224 NH1 ARG A 14 1.694 17.715 14.866 1.00 0.22 N ATOM 225 NH2 ARG A 14 1.585 17.822 17.095 1.00 14.23 N ATOM 0 HA ARG A 14 0.550 11.314 12.969 1.00 35.15 H new ATOM 0 HB2 ARG A 14 2.734 12.169 13.806 1.00 33.22 H new ATOM 0 HB3 ARG A 14 1.802 13.380 12.949 1.00 33.22 H new ATOM 0 HG2 ARG A 14 1.698 13.209 15.969 1.00 40.12 H new ATOM 0 HG3 ARG A 14 3.017 14.036 15.163 1.00 40.12 H new ATOM 0 HD2 ARG A 14 1.395 15.523 14.009 1.00 3.25 H new ATOM 0 HD3 ARG A 14 0.063 14.682 14.777 1.00 3.25 H new ATOM 0 HE ARG A 14 1.057 15.453 16.988 1.00 1.44 H new ATOM 0 HH11 ARG A 14 1.624 17.179 14.001 1.00 0.22 H new ATOM 0 HH12 ARG A 14 1.917 18.710 14.833 1.00 0.22 H new ATOM 0 HH21 ARG A 14 1.429 17.373 17.997 1.00 14.23 H new ATOM 0 HH22 ARG A 14 1.809 18.816 17.052 1.00 14.23 H new ATOM 239 N LEU A 15 1.577 9.856 14.848 1.00 40.41 N ATOM 240 CA LEU A 15 1.801 8.802 15.840 1.00 71.43 C ATOM 241 C LEU A 15 2.996 9.117 16.759 1.00 13.52 C ATOM 242 O LEU A 15 3.954 9.779 16.351 1.00 11.44 O ATOM 243 CB LEU A 15 1.987 7.443 15.129 1.00 61.53 C ATOM 244 CG LEU A 15 2.798 7.462 13.807 1.00 1.02 C ATOM 245 CD1 LEU A 15 4.263 7.831 14.038 1.00 5.42 C ATOM 246 CD2 LEU A 15 2.691 6.113 13.097 1.00 3.22 C ATOM 0 H LEU A 15 2.117 9.741 13.990 1.00 40.41 H new ATOM 0 HA LEU A 15 0.921 8.749 16.480 1.00 71.43 H new ATOM 0 HB2 LEU A 15 2.478 6.759 15.821 1.00 61.53 H new ATOM 0 HB3 LEU A 15 1.001 7.029 14.919 1.00 61.53 H new ATOM 0 HG LEU A 15 2.366 8.234 13.170 1.00 1.02 H new ATOM 0 HD11 LEU A 15 4.793 7.832 13.085 1.00 5.42 H new ATOM 0 HD12 LEU A 15 4.322 8.822 14.487 1.00 5.42 H new ATOM 0 HD13 LEU A 15 4.721 7.102 14.707 1.00 5.42 H new ATOM 0 HD21 LEU A 15 3.265 6.143 12.171 1.00 3.22 H new ATOM 0 HD22 LEU A 15 3.085 5.329 13.744 1.00 3.22 H new ATOM 0 HD23 LEU A 15 1.646 5.904 12.869 1.00 3.22 H new ATOM 258 N PHE A 16 2.929 8.646 18.002 1.00 1.11 N ATOM 259 CA PHE A 16 4.011 8.857 18.976 1.00 25.31 C ATOM 260 C PHE A 16 4.467 7.525 19.590 1.00 21.35 C ATOM 261 O PHE A 16 3.720 6.885 20.337 1.00 25.34 O ATOM 262 CB PHE A 16 3.556 9.817 20.087 1.00 32.21 C ATOM 263 CG PHE A 16 3.138 11.179 19.583 1.00 3.03 C ATOM 264 CD1 PHE A 16 4.090 12.136 19.255 1.00 55.21 C ATOM 265 CD2 PHE A 16 1.795 11.499 19.434 1.00 41.54 C ATOM 266 CE1 PHE A 16 3.708 13.381 18.791 1.00 72.24 C ATOM 267 CE2 PHE A 16 1.412 12.742 18.971 1.00 35.25 C ATOM 268 CZ PHE A 16 2.369 13.683 18.649 1.00 33.13 C ATOM 0 H PHE A 16 2.138 8.114 18.364 1.00 1.11 H new ATOM 0 HA PHE A 16 4.855 9.300 18.447 1.00 25.31 H new ATOM 0 HB2 PHE A 16 2.721 9.367 20.624 1.00 32.21 H new ATOM 0 HB3 PHE A 16 4.368 9.939 20.804 1.00 32.21 H new ATOM 0 HD1 PHE A 16 5.139 11.905 19.364 1.00 55.21 H new ATOM 0 HD2 PHE A 16 1.041 10.767 19.683 1.00 41.54 H new ATOM 0 HE1 PHE A 16 4.457 14.117 18.540 1.00 72.24 H new ATOM 0 HE2 PHE A 16 0.364 12.978 18.861 1.00 35.25 H new ATOM 0 HZ PHE A 16 2.070 14.655 18.286 1.00 33.13 H new ATOM 278 N LEU A 17 5.688 7.106 19.262 1.00 12.14 N ATOM 279 CA LEU A 17 6.250 5.856 19.788 1.00 31.51 C ATOM 280 C LEU A 17 7.788 5.863 19.721 1.00 64.14 C ATOM 281 O LEU A 17 8.394 6.801 19.202 1.00 11.34 O ATOM 282 CB LEU A 17 5.698 4.634 19.024 1.00 62.23 C ATOM 283 CG LEU A 17 6.123 4.502 17.547 1.00 25.30 C ATOM 284 CD1 LEU A 17 5.677 3.158 16.985 1.00 3.25 C ATOM 285 CD2 LEU A 17 5.558 5.639 16.697 1.00 54.35 C ATOM 0 H LEU A 17 6.311 7.613 18.633 1.00 12.14 H new ATOM 0 HA LEU A 17 5.949 5.781 20.833 1.00 31.51 H new ATOM 0 HB2 LEU A 17 6.009 3.732 19.551 1.00 62.23 H new ATOM 0 HB3 LEU A 17 4.609 4.668 19.065 1.00 62.23 H new ATOM 0 HG LEU A 17 7.211 4.563 17.510 1.00 25.30 H new ATOM 0 HD11 LEU A 17 5.984 3.080 15.942 1.00 3.25 H new ATOM 0 HD12 LEU A 17 6.135 2.353 17.560 1.00 3.25 H new ATOM 0 HD13 LEU A 17 4.592 3.078 17.051 1.00 3.25 H new ATOM 0 HD21 LEU A 17 5.878 5.513 15.663 1.00 54.35 H new ATOM 0 HD22 LEU A 17 4.469 5.623 16.745 1.00 54.35 H new ATOM 0 HD23 LEU A 17 5.923 6.593 17.076 1.00 54.35 H new ATOM 297 N ASP A 18 8.406 4.813 20.256 1.00 53.43 N ATOM 298 CA ASP A 18 9.870 4.684 20.278 1.00 21.21 C ATOM 299 C ASP A 18 10.446 4.364 18.881 1.00 44.15 C ATOM 300 O ASP A 18 9.778 3.735 18.057 1.00 14.11 O ATOM 301 CB ASP A 18 10.260 3.585 21.267 1.00 34.21 C ATOM 302 CG ASP A 18 9.687 3.833 22.649 1.00 41.45 C ATOM 303 OD1 ASP A 18 8.491 3.537 22.861 1.00 1.43 O ATOM 304 OD2 ASP A 18 10.431 4.307 23.533 1.00 51.42 O ATOM 0 H ASP A 18 7.914 4.029 20.685 1.00 53.43 H new ATOM 0 HA ASP A 18 10.290 5.641 20.589 1.00 21.21 H new ATOM 0 HB2 ASP A 18 9.908 2.622 20.896 1.00 34.21 H new ATOM 0 HB3 ASP A 18 11.346 3.524 21.331 1.00 34.21 H new ATOM 309 N PRO A 19 11.705 4.778 18.606 1.00 22.52 N ATOM 310 CA PRO A 19 12.352 4.559 17.295 1.00 35.13 C ATOM 311 C PRO A 19 12.555 3.070 16.959 1.00 22.23 C ATOM 312 O PRO A 19 12.057 2.582 15.942 1.00 53.44 O ATOM 313 CB PRO A 19 13.705 5.281 17.437 1.00 23.42 C ATOM 314 CG PRO A 19 13.950 5.352 18.907 1.00 62.45 C ATOM 315 CD PRO A 19 12.596 5.488 19.545 1.00 11.31 C ATOM 0 HA PRO A 19 11.737 4.935 16.478 1.00 35.13 H new ATOM 0 HB2 PRO A 19 14.500 4.734 16.930 1.00 23.42 H new ATOM 0 HB3 PRO A 19 13.670 6.276 16.994 1.00 23.42 H new ATOM 0 HG2 PRO A 19 14.460 4.457 19.261 1.00 62.45 H new ATOM 0 HG3 PRO A 19 14.586 6.201 19.156 1.00 62.45 H new ATOM 0 HD2 PRO A 19 12.573 5.040 20.538 1.00 11.31 H new ATOM 0 HD3 PRO A 19 12.309 6.533 19.660 1.00 11.31 H new ATOM 323 N ASP A 20 13.281 2.352 17.819 1.00 54.21 N ATOM 324 CA ASP A 20 13.520 0.913 17.632 1.00 44.41 C ATOM 325 C ASP A 20 12.200 0.145 17.473 1.00 22.03 C ATOM 326 O ASP A 20 12.101 -0.789 16.671 1.00 22.34 O ATOM 327 CB ASP A 20 14.305 0.357 18.823 1.00 74.30 C ATOM 328 CG ASP A 20 15.620 1.082 19.030 1.00 24.21 C ATOM 329 OD1 ASP A 20 15.599 2.229 19.521 1.00 22.41 O ATOM 330 OD2 ASP A 20 16.684 0.519 18.693 1.00 44.14 O ATOM 0 H ASP A 20 13.716 2.742 18.655 1.00 54.21 H new ATOM 0 HA ASP A 20 14.100 0.782 16.719 1.00 44.41 H new ATOM 0 HB2 ASP A 20 13.700 0.440 19.726 1.00 74.30 H new ATOM 0 HB3 ASP A 20 14.498 -0.704 18.666 1.00 74.30 H new ATOM 335 N THR A 21 11.191 0.545 18.244 1.00 21.42 N ATOM 336 CA THR A 21 9.854 -0.047 18.136 1.00 54.32 C ATOM 337 C THR A 21 9.206 0.287 16.787 1.00 53.44 C ATOM 338 O THR A 21 8.615 -0.574 16.148 1.00 74.23 O ATOM 339 CB THR A 21 8.917 0.423 19.279 1.00 62.13 C ATOM 340 OG1 THR A 21 9.517 0.154 20.556 1.00 12.03 O ATOM 341 CG2 THR A 21 7.561 -0.275 19.197 1.00 41.15 C ATOM 0 H THR A 21 11.271 1.276 18.951 1.00 21.42 H new ATOM 0 HA THR A 21 9.988 -1.126 18.217 1.00 54.32 H new ATOM 0 HB THR A 21 8.765 1.497 19.168 1.00 62.13 H new ATOM 0 HG1 THR A 21 8.917 0.457 21.270 1.00 12.03 H new ATOM 0 HG21 THR A 21 6.923 0.072 20.010 1.00 41.15 H new ATOM 0 HG22 THR A 21 7.090 -0.044 18.242 1.00 41.15 H new ATOM 0 HG23 THR A 21 7.701 -1.353 19.281 1.00 41.15 H new ATOM 349 N ALA A 22 9.328 1.537 16.344 1.00 51.34 N ATOM 350 CA ALA A 22 8.748 1.959 15.061 1.00 53.14 C ATOM 351 C ALA A 22 9.263 1.096 13.897 1.00 41.34 C ATOM 352 O ALA A 22 8.520 0.791 12.962 1.00 1.20 O ATOM 353 CB ALA A 22 9.044 3.432 14.805 1.00 13.43 C ATOM 0 H ALA A 22 9.820 2.275 16.848 1.00 51.34 H new ATOM 0 HA ALA A 22 7.668 1.821 15.122 1.00 53.14 H new ATOM 0 HB1 ALA A 22 8.608 3.730 13.851 1.00 13.43 H new ATOM 0 HB2 ALA A 22 8.613 4.034 15.605 1.00 13.43 H new ATOM 0 HB3 ALA A 22 10.123 3.587 14.775 1.00 13.43 H new ATOM 359 N ILE A 23 10.537 0.699 13.972 1.00 5.32 N ATOM 360 CA ILE A 23 11.145 -0.189 12.974 1.00 51.32 C ATOM 361 C ILE A 23 10.327 -1.480 12.797 1.00 22.42 C ATOM 362 O ILE A 23 9.878 -1.793 11.690 1.00 23.31 O ATOM 363 CB ILE A 23 12.607 -0.545 13.362 1.00 51.01 C ATOM 364 CG1 ILE A 23 13.457 0.737 13.457 1.00 54.43 C ATOM 365 CG2 ILE A 23 13.217 -1.530 12.361 1.00 64.13 C ATOM 366 CD1 ILE A 23 14.899 0.496 13.860 1.00 72.12 C ATOM 0 H ILE A 23 11.172 0.981 14.719 1.00 5.32 H new ATOM 0 HA ILE A 23 11.151 0.350 12.026 1.00 51.32 H new ATOM 0 HB ILE A 23 12.596 -1.029 14.338 1.00 51.01 H new ATOM 0 HG12 ILE A 23 13.441 1.243 12.492 1.00 54.43 H new ATOM 0 HG13 ILE A 23 12.997 1.412 14.179 1.00 54.43 H new ATOM 0 HG21 ILE A 23 14.240 -1.762 12.656 1.00 64.13 H new ATOM 0 HG22 ILE A 23 12.627 -2.446 12.347 1.00 64.13 H new ATOM 0 HG23 ILE A 23 13.219 -1.084 11.366 1.00 64.13 H new ATOM 0 HD11 ILE A 23 15.428 1.448 13.904 1.00 72.12 H new ATOM 0 HD12 ILE A 23 14.928 0.019 14.840 1.00 72.12 H new ATOM 0 HD13 ILE A 23 15.378 -0.152 13.126 1.00 72.12 H new ATOM 378 N GLU A 24 10.117 -2.218 13.889 1.00 5.51 N ATOM 379 CA GLU A 24 9.328 -3.455 13.834 1.00 42.45 C ATOM 380 C GLU A 24 7.860 -3.163 13.475 1.00 4.12 C ATOM 381 O GLU A 24 7.251 -3.894 12.697 1.00 62.35 O ATOM 382 CB GLU A 24 9.405 -4.225 15.165 1.00 25.41 C ATOM 383 CG GLU A 24 8.851 -3.460 16.367 1.00 42.13 C ATOM 384 CD GLU A 24 7.806 -4.241 17.144 1.00 74.53 C ATOM 385 OE1 GLU A 24 6.691 -4.433 16.613 1.00 1.50 O ATOM 386 OE2 GLU A 24 8.085 -4.649 18.290 1.00 70.10 O ATOM 0 H GLU A 24 10.477 -1.986 14.815 1.00 5.51 H new ATOM 0 HA GLU A 24 9.757 -4.079 13.050 1.00 42.45 H new ATOM 0 HB2 GLU A 24 8.857 -5.162 15.062 1.00 25.41 H new ATOM 0 HB3 GLU A 24 10.445 -4.484 15.362 1.00 25.41 H new ATOM 0 HG2 GLU A 24 9.673 -3.201 17.035 1.00 42.13 H new ATOM 0 HG3 GLU A 24 8.413 -2.523 16.023 1.00 42.13 H new ATOM 393 N ARG A 25 7.305 -2.078 14.033 1.00 5.32 N ATOM 394 CA ARG A 25 5.917 -1.666 13.753 1.00 65.30 C ATOM 395 C ARG A 25 5.655 -1.559 12.243 1.00 5.14 C ATOM 396 O ARG A 25 4.741 -2.190 11.709 1.00 22.25 O ATOM 397 CB ARG A 25 5.617 -0.304 14.398 1.00 41.22 C ATOM 398 CG ARG A 25 5.690 -0.275 15.922 1.00 12.31 C ATOM 399 CD ARG A 25 4.519 -0.992 16.584 1.00 61.41 C ATOM 400 NE ARG A 25 4.669 -2.446 16.570 1.00 2.40 N ATOM 401 CZ ARG A 25 3.727 -3.282 16.914 1.00 2.12 C ATOM 402 NH1 ARG A 25 2.558 -2.855 17.265 1.00 51.31 N ATOM 403 NH2 ARG A 25 3.969 -4.548 16.915 1.00 51.50 N ATOM 0 H ARG A 25 7.796 -1.466 14.684 1.00 5.32 H new ATOM 0 HA ARG A 25 5.266 -2.432 14.175 1.00 65.30 H new ATOM 0 HB2 ARG A 25 6.320 0.430 14.003 1.00 41.22 H new ATOM 0 HB3 ARG A 25 4.620 0.013 14.092 1.00 41.22 H new ATOM 0 HG2 ARG A 25 6.623 -0.737 16.245 1.00 12.31 H new ATOM 0 HG3 ARG A 25 5.714 0.761 16.260 1.00 12.31 H new ATOM 0 HD2 ARG A 25 4.424 -0.650 17.615 1.00 61.41 H new ATOM 0 HD3 ARG A 25 3.596 -0.721 16.072 1.00 61.41 H new ATOM 0 HE ARG A 25 5.565 -2.831 16.273 1.00 2.40 H new ATOM 0 HH11 ARG A 25 2.363 -1.854 17.275 1.00 51.31 H new ATOM 0 HH12 ARG A 25 1.831 -3.519 17.531 1.00 51.31 H new ATOM 0 HH21 ARG A 25 4.892 -4.891 16.648 1.00 51.50 H new ATOM 0 HH22 ARG A 25 3.238 -5.207 17.183 1.00 51.50 H new ATOM 417 N LEU A 26 6.466 -0.753 11.567 1.00 73.32 N ATOM 418 CA LEU A 26 6.322 -0.532 10.129 1.00 73.13 C ATOM 419 C LEU A 26 6.620 -1.818 9.340 1.00 23.02 C ATOM 420 O LEU A 26 6.013 -2.081 8.299 1.00 12.23 O ATOM 421 CB LEU A 26 7.246 0.612 9.689 1.00 1.34 C ATOM 422 CG LEU A 26 7.043 1.125 8.255 1.00 40.15 C ATOM 423 CD1 LEU A 26 5.595 1.560 8.032 1.00 52.35 C ATOM 424 CD2 LEU A 26 8.002 2.279 7.967 1.00 71.11 C ATOM 0 H LEU A 26 7.236 -0.238 11.994 1.00 73.32 H new ATOM 0 HA LEU A 26 5.290 -0.253 9.917 1.00 73.13 H new ATOM 0 HB2 LEU A 26 7.110 1.447 10.376 1.00 1.34 H new ATOM 0 HB3 LEU A 26 8.279 0.279 9.792 1.00 1.34 H new ATOM 0 HG LEU A 26 7.260 0.310 7.564 1.00 40.15 H new ATOM 0 HD11 LEU A 26 5.476 1.919 7.010 1.00 52.35 H new ATOM 0 HD12 LEU A 26 4.931 0.712 8.198 1.00 52.35 H new ATOM 0 HD13 LEU A 26 5.344 2.360 8.729 1.00 52.35 H new ATOM 0 HD21 LEU A 26 7.849 2.634 6.948 1.00 71.11 H new ATOM 0 HD22 LEU A 26 7.813 3.093 8.667 1.00 71.11 H new ATOM 0 HD23 LEU A 26 9.030 1.935 8.080 1.00 71.11 H new ATOM 436 N GLN A 27 7.537 -2.635 9.862 1.00 53.11 N ATOM 437 CA GLN A 27 7.852 -3.933 9.256 1.00 73.24 C ATOM 438 C GLN A 27 6.648 -4.887 9.332 1.00 44.30 C ATOM 439 O GLN A 27 6.440 -5.708 8.440 1.00 33.34 O ATOM 440 CB GLN A 27 9.081 -4.558 9.936 1.00 52.24 C ATOM 441 CG GLN A 27 10.404 -3.894 9.554 1.00 2.04 C ATOM 442 CD GLN A 27 10.792 -4.148 8.105 1.00 31.04 C ATOM 443 OE1 GLN A 27 10.432 -5.164 7.518 1.00 4.12 O ATOM 444 NE2 GLN A 27 11.540 -3.235 7.518 1.00 23.34 N ATOM 0 H GLN A 27 8.075 -2.422 10.702 1.00 53.11 H new ATOM 0 HA GLN A 27 8.082 -3.768 8.204 1.00 73.24 H new ATOM 0 HB2 GLN A 27 8.955 -4.499 11.017 1.00 52.24 H new ATOM 0 HB3 GLN A 27 9.129 -5.616 9.677 1.00 52.24 H new ATOM 0 HG2 GLN A 27 10.329 -2.820 9.723 1.00 2.04 H new ATOM 0 HG3 GLN A 27 11.194 -4.265 10.208 1.00 2.04 H new ATOM 0 HE21 GLN A 27 11.824 -2.401 8.032 1.00 23.34 H new ATOM 0 HE22 GLN A 27 11.835 -3.363 6.550 1.00 23.34 H new ATOM 453 N ARG A 28 5.853 -4.768 10.398 1.00 32.53 N ATOM 454 CA ARG A 28 4.615 -5.550 10.533 1.00 23.41 C ATOM 455 C ARG A 28 3.655 -5.249 9.374 1.00 75.11 C ATOM 456 O ARG A 28 3.143 -6.158 8.721 1.00 12.12 O ATOM 457 CB ARG A 28 3.921 -5.244 11.871 1.00 44.34 C ATOM 458 CG ARG A 28 4.767 -5.534 13.112 1.00 71.23 C ATOM 459 CD ARG A 28 5.004 -7.027 13.332 1.00 32.14 C ATOM 460 NE ARG A 28 5.868 -7.620 12.310 1.00 32.14 N ATOM 461 CZ ARG A 28 5.875 -8.889 12.003 1.00 71.11 C ATOM 462 NH1 ARG A 28 5.086 -9.716 12.602 1.00 60.50 N ATOM 463 NH2 ARG A 28 6.680 -9.331 11.095 1.00 44.53 N ATOM 0 H ARG A 28 6.041 -4.140 11.180 1.00 32.53 H new ATOM 0 HA ARG A 28 4.883 -6.606 10.507 1.00 23.41 H new ATOM 0 HB2 ARG A 28 3.632 -4.193 11.883 1.00 44.34 H new ATOM 0 HB3 ARG A 28 3.002 -5.828 11.930 1.00 44.34 H new ATOM 0 HG2 ARG A 28 5.728 -5.028 13.017 1.00 71.23 H new ATOM 0 HG3 ARG A 28 4.272 -5.116 13.989 1.00 71.23 H new ATOM 0 HD2 ARG A 28 5.453 -7.178 14.314 1.00 32.14 H new ATOM 0 HD3 ARG A 28 4.045 -7.546 13.337 1.00 32.14 H new ATOM 0 HE ARG A 28 6.505 -7.003 11.806 1.00 32.14 H new ATOM 0 HH11 ARG A 28 4.448 -9.380 13.324 1.00 60.50 H new ATOM 0 HH12 ARG A 28 5.100 -10.705 12.354 1.00 60.50 H new ATOM 0 HH21 ARG A 28 7.311 -8.688 10.617 1.00 44.53 H new ATOM 0 HH22 ARG A 28 6.684 -10.323 10.856 1.00 44.53 H new ATOM 477 N LEU A 29 3.430 -3.961 9.124 1.00 51.22 N ATOM 478 CA LEU A 29 2.546 -3.521 8.039 1.00 14.31 C ATOM 479 C LEU A 29 3.120 -3.872 6.657 1.00 74.01 C ATOM 480 O LEU A 29 2.380 -4.263 5.755 1.00 14.51 O ATOM 481 CB LEU A 29 2.292 -2.010 8.146 1.00 53.10 C ATOM 482 CG LEU A 29 1.584 -1.558 9.435 1.00 64.30 C ATOM 483 CD1 LEU A 29 1.409 -0.043 9.457 1.00 35.34 C ATOM 484 CD2 LEU A 29 0.233 -2.261 9.589 1.00 31.11 C ATOM 0 H LEU A 29 3.848 -3.199 9.658 1.00 51.22 H new ATOM 0 HA LEU A 29 1.600 -4.052 8.144 1.00 14.31 H new ATOM 0 HB2 LEU A 29 3.247 -1.490 8.073 1.00 53.10 H new ATOM 0 HB3 LEU A 29 1.693 -1.696 7.291 1.00 53.10 H new ATOM 0 HG LEU A 29 2.212 -1.839 10.280 1.00 64.30 H new ATOM 0 HD11 LEU A 29 0.906 0.252 10.378 1.00 35.34 H new ATOM 0 HD12 LEU A 29 2.386 0.437 9.408 1.00 35.34 H new ATOM 0 HD13 LEU A 29 0.809 0.266 8.601 1.00 35.34 H new ATOM 0 HD21 LEU A 29 -0.249 -1.926 10.507 1.00 31.11 H new ATOM 0 HD22 LEU A 29 -0.402 -2.019 8.737 1.00 31.11 H new ATOM 0 HD23 LEU A 29 0.387 -3.339 9.633 1.00 31.11 H new ATOM 496 N GLN A 30 4.439 -3.726 6.498 1.00 23.20 N ATOM 497 CA GLN A 30 5.122 -4.127 5.259 1.00 52.15 C ATOM 498 C GLN A 30 4.831 -5.602 4.919 1.00 4.10 C ATOM 499 O GLN A 30 4.320 -5.917 3.841 1.00 44.01 O ATOM 500 CB GLN A 30 6.640 -3.907 5.398 1.00 10.20 C ATOM 501 CG GLN A 30 7.465 -4.415 4.215 1.00 75.24 C ATOM 502 CD GLN A 30 7.227 -3.637 2.929 1.00 15.40 C ATOM 503 OE1 GLN A 30 6.935 -2.448 2.949 1.00 75.42 O ATOM 504 NE2 GLN A 30 7.351 -4.306 1.800 1.00 72.03 N ATOM 0 H GLN A 30 5.056 -3.334 7.209 1.00 23.20 H new ATOM 0 HA GLN A 30 4.742 -3.509 4.446 1.00 52.15 H new ATOM 0 HB2 GLN A 30 6.830 -2.841 5.526 1.00 10.20 H new ATOM 0 HB3 GLN A 30 6.985 -4.403 6.305 1.00 10.20 H new ATOM 0 HG2 GLN A 30 8.523 -4.363 4.471 1.00 75.24 H new ATOM 0 HG3 GLN A 30 7.230 -5.465 4.043 1.00 75.24 H new ATOM 0 HE21 GLN A 30 7.595 -5.296 1.818 1.00 72.03 H new ATOM 0 HE22 GLN A 30 7.203 -3.834 0.908 1.00 72.03 H new ATOM 513 N GLN A 31 5.141 -6.497 5.859 1.00 61.31 N ATOM 514 CA GLN A 31 4.923 -7.937 5.667 1.00 45.10 C ATOM 515 C GLN A 31 3.435 -8.255 5.421 1.00 44.33 C ATOM 516 O GLN A 31 3.097 -9.049 4.543 1.00 64.11 O ATOM 517 CB GLN A 31 5.433 -8.721 6.889 1.00 41.22 C ATOM 518 CG GLN A 31 6.906 -8.477 7.239 1.00 33.14 C ATOM 519 CD GLN A 31 7.909 -9.220 6.357 1.00 43.20 C ATOM 520 OE1 GLN A 31 7.603 -9.417 5.092 1.00 45.12 O flip ATOM 521 NE2 GLN A 31 8.988 -9.586 6.816 1.00 23.11 N flip ATOM 0 H GLN A 31 5.545 -6.252 6.763 1.00 61.31 H new ATOM 0 HA GLN A 31 5.484 -8.242 4.784 1.00 45.10 H new ATOM 0 HB2 GLN A 31 4.821 -8.460 7.752 1.00 41.22 H new ATOM 0 HB3 GLN A 31 5.289 -9.786 6.706 1.00 41.22 H new ATOM 0 HG2 GLN A 31 7.108 -7.408 7.172 1.00 33.14 H new ATOM 0 HG3 GLN A 31 7.071 -8.768 8.276 1.00 33.14 H new ATOM 0 HE21 GLN A 31 9.205 -9.424 7.799 1.00 23.11 H new ATOM 0 HE22 GLN A 31 9.667 -10.052 6.214 1.00 23.11 H new ATOM 530 N ALA A 32 2.552 -7.623 6.199 1.00 50.03 N ATOM 531 CA ALA A 32 1.103 -7.818 6.047 1.00 21.43 C ATOM 532 C ALA A 32 0.624 -7.407 4.647 1.00 40.40 C ATOM 533 O ALA A 32 -0.172 -8.107 4.016 1.00 32.02 O ATOM 534 CB ALA A 32 0.354 -7.040 7.122 1.00 31.02 C ATOM 0 H ALA A 32 2.812 -6.972 6.940 1.00 50.03 H new ATOM 0 HA ALA A 32 0.890 -8.880 6.167 1.00 21.43 H new ATOM 0 HB1 ALA A 32 -0.719 -7.191 7.000 1.00 31.02 H new ATOM 0 HB2 ALA A 32 0.661 -7.393 8.107 1.00 31.02 H new ATOM 0 HB3 ALA A 32 0.583 -5.978 7.029 1.00 31.02 H new ATOM 540 N LEU A 33 1.126 -6.272 4.169 1.00 3.11 N ATOM 541 CA LEU A 33 0.823 -5.783 2.822 1.00 25.40 C ATOM 542 C LEU A 33 1.232 -6.816 1.760 1.00 21.34 C ATOM 543 O LEU A 33 0.476 -7.109 0.830 1.00 5.22 O ATOM 544 CB LEU A 33 1.554 -4.451 2.589 1.00 44.33 C ATOM 545 CG LEU A 33 1.315 -3.775 1.227 1.00 3.32 C ATOM 546 CD1 LEU A 33 -0.169 -3.488 1.008 1.00 61.42 C ATOM 547 CD2 LEU A 33 2.138 -2.493 1.121 1.00 21.21 C ATOM 0 H LEU A 33 1.752 -5.666 4.699 1.00 3.11 H new ATOM 0 HA LEU A 33 -0.252 -5.625 2.735 1.00 25.40 H new ATOM 0 HB2 LEU A 33 1.257 -3.755 3.374 1.00 44.33 H new ATOM 0 HB3 LEU A 33 2.624 -4.623 2.703 1.00 44.33 H new ATOM 0 HG LEU A 33 1.638 -4.461 0.444 1.00 3.32 H new ATOM 0 HD11 LEU A 33 -0.308 -3.010 0.038 1.00 61.42 H new ATOM 0 HD12 LEU A 33 -0.728 -4.423 1.036 1.00 61.42 H new ATOM 0 HD13 LEU A 33 -0.531 -2.825 1.794 1.00 61.42 H new ATOM 0 HD21 LEU A 33 1.960 -2.025 0.153 1.00 21.21 H new ATOM 0 HD22 LEU A 33 1.846 -1.806 1.915 1.00 21.21 H new ATOM 0 HD23 LEU A 33 3.197 -2.731 1.219 1.00 21.21 H new ATOM 559 N GLU A 34 2.431 -7.378 1.918 1.00 2.55 N ATOM 560 CA GLU A 34 2.934 -8.423 1.019 1.00 65.24 C ATOM 561 C GLU A 34 2.059 -9.690 1.084 1.00 73.20 C ATOM 562 O GLU A 34 1.803 -10.334 0.062 1.00 11.21 O ATOM 563 CB GLU A 34 4.392 -8.756 1.371 1.00 24.24 C ATOM 564 CG GLU A 34 5.326 -7.553 1.270 1.00 15.53 C ATOM 565 CD GLU A 34 6.761 -7.874 1.655 1.00 64.23 C ATOM 566 OE1 GLU A 34 7.060 -7.931 2.864 1.00 65.43 O ATOM 567 OE2 GLU A 34 7.599 -8.065 0.747 1.00 54.32 O ATOM 0 H GLU A 34 3.078 -7.126 2.665 1.00 2.55 H new ATOM 0 HA GLU A 34 2.890 -8.045 -0.003 1.00 65.24 H new ATOM 0 HB2 GLU A 34 4.432 -9.155 2.385 1.00 24.24 H new ATOM 0 HB3 GLU A 34 4.749 -9.542 0.705 1.00 24.24 H new ATOM 0 HG2 GLU A 34 5.307 -7.172 0.249 1.00 15.53 H new ATOM 0 HG3 GLU A 34 4.953 -6.757 1.915 1.00 15.53 H new ATOM 574 N MET A 35 1.596 -10.041 2.287 1.00 64.11 N ATOM 575 CA MET A 35 0.687 -11.185 2.460 1.00 31.12 C ATOM 576 C MET A 35 -0.672 -10.918 1.788 1.00 2.12 C ATOM 577 O MET A 35 -1.313 -11.833 1.267 1.00 11.21 O ATOM 578 CB MET A 35 0.477 -11.509 3.949 1.00 53.14 C ATOM 579 CG MET A 35 1.753 -11.906 4.686 1.00 71.24 C ATOM 580 SD MET A 35 1.429 -12.594 6.328 1.00 4.10 S ATOM 581 CE MET A 35 0.575 -11.231 7.121 1.00 20.34 C ATOM 0 H MET A 35 1.832 -9.555 3.152 1.00 64.11 H new ATOM 0 HA MET A 35 1.153 -12.045 1.979 1.00 31.12 H new ATOM 0 HB2 MET A 35 0.042 -10.639 4.441 1.00 53.14 H new ATOM 0 HB3 MET A 35 -0.247 -12.320 4.035 1.00 53.14 H new ATOM 0 HG2 MET A 35 2.298 -12.639 4.091 1.00 71.24 H new ATOM 0 HG3 MET A 35 2.397 -11.032 4.784 1.00 71.24 H new ATOM 0 HE1 MET A 35 0.068 -11.591 8.016 1.00 20.34 H new ATOM 0 HE2 MET A 35 1.296 -10.461 7.396 1.00 20.34 H new ATOM 0 HE3 MET A 35 -0.159 -10.812 6.433 1.00 20.34 H new ATOM 591 N GLY A 36 -1.107 -9.658 1.811 1.00 62.51 N ATOM 592 CA GLY A 36 -2.333 -9.268 1.119 1.00 71.11 C ATOM 593 C GLY A 36 -2.220 -9.411 -0.398 1.00 64.31 C ATOM 594 O GLY A 36 -3.087 -10.002 -1.045 1.00 1.13 O ATOM 0 H GLY A 36 -0.633 -8.897 2.297 1.00 62.51 H new ATOM 0 HA2 GLY A 36 -3.160 -9.881 1.478 1.00 71.11 H new ATOM 0 HA3 GLY A 36 -2.573 -8.234 1.366 1.00 71.11 H new ATOM 598 N VAL A 37 -1.135 -8.879 -0.966 1.00 4.12 N ATOM 599 CA VAL A 37 -0.873 -8.996 -2.407 1.00 64.31 C ATOM 600 C VAL A 37 -0.729 -10.469 -2.839 1.00 74.41 C ATOM 601 O VAL A 37 -1.095 -10.837 -3.959 1.00 24.04 O ATOM 602 CB VAL A 37 0.402 -8.207 -2.810 1.00 10.34 C ATOM 603 CG1 VAL A 37 0.657 -8.299 -4.314 1.00 44.00 C ATOM 604 CG2 VAL A 37 0.292 -6.747 -2.369 1.00 74.22 C ATOM 0 H VAL A 37 -0.422 -8.362 -0.452 1.00 4.12 H new ATOM 0 HA VAL A 37 -1.733 -8.567 -2.922 1.00 64.31 H new ATOM 0 HB VAL A 37 1.252 -8.659 -2.299 1.00 10.34 H new ATOM 0 HG11 VAL A 37 1.556 -7.737 -4.566 1.00 44.00 H new ATOM 0 HG12 VAL A 37 0.791 -9.343 -4.597 1.00 44.00 H new ATOM 0 HG13 VAL A 37 -0.194 -7.883 -4.853 1.00 44.00 H new ATOM 0 HG21 VAL A 37 1.195 -6.210 -2.660 1.00 74.22 H new ATOM 0 HG22 VAL A 37 -0.573 -6.287 -2.846 1.00 74.22 H new ATOM 0 HG23 VAL A 37 0.176 -6.702 -1.286 1.00 74.22 H new ATOM 614 N SER A 38 -0.203 -11.304 -1.941 1.00 44.30 N ATOM 615 CA SER A 38 -0.062 -12.749 -2.195 1.00 42.21 C ATOM 616 C SER A 38 -1.378 -13.367 -2.693 1.00 11.12 C ATOM 617 O SER A 38 -1.394 -14.141 -3.654 1.00 72.21 O ATOM 618 CB SER A 38 0.392 -13.471 -0.916 1.00 5.52 C ATOM 619 OG SER A 38 0.500 -14.874 -1.116 1.00 25.03 O ATOM 0 H SER A 38 0.135 -11.008 -1.026 1.00 44.30 H new ATOM 0 HA SER A 38 0.690 -12.873 -2.974 1.00 42.21 H new ATOM 0 HB2 SER A 38 1.355 -13.074 -0.596 1.00 5.52 H new ATOM 0 HB3 SER A 38 -0.318 -13.271 -0.113 1.00 5.52 H new ATOM 0 HG SER A 38 0.792 -15.302 -0.284 1.00 25.03 H new ATOM 625 N SER A 39 -2.483 -12.997 -2.043 1.00 23.44 N ATOM 626 CA SER A 39 -3.818 -13.489 -2.419 1.00 32.24 C ATOM 627 C SER A 39 -4.149 -13.165 -3.885 1.00 2.35 C ATOM 628 O SER A 39 -4.678 -14.003 -4.617 1.00 41.04 O ATOM 629 CB SER A 39 -4.888 -12.872 -1.505 1.00 61.32 C ATOM 630 OG SER A 39 -4.629 -13.162 -0.140 1.00 34.54 O ATOM 0 H SER A 39 -2.484 -12.356 -1.250 1.00 23.44 H new ATOM 0 HA SER A 39 -3.813 -14.573 -2.301 1.00 32.24 H new ATOM 0 HB2 SER A 39 -4.915 -11.792 -1.651 1.00 61.32 H new ATOM 0 HB3 SER A 39 -5.870 -13.256 -1.781 1.00 61.32 H new ATOM 0 HG SER A 39 -5.324 -12.756 0.418 1.00 34.54 H new ATOM 636 N LEU A 40 -3.823 -11.946 -4.309 1.00 22.21 N ATOM 637 CA LEU A 40 -4.079 -11.507 -5.685 1.00 12.33 C ATOM 638 C LEU A 40 -3.187 -12.263 -6.684 1.00 65.30 C ATOM 639 O LEU A 40 -3.648 -12.700 -7.743 1.00 41.53 O ATOM 640 CB LEU A 40 -3.843 -9.994 -5.809 1.00 72.55 C ATOM 641 CG LEU A 40 -4.140 -9.394 -7.193 1.00 73.11 C ATOM 642 CD1 LEU A 40 -5.610 -9.581 -7.561 1.00 51.04 C ATOM 643 CD2 LEU A 40 -3.756 -7.917 -7.233 1.00 31.14 C ATOM 0 H LEU A 40 -3.380 -11.241 -3.720 1.00 22.21 H new ATOM 0 HA LEU A 40 -5.119 -11.729 -5.923 1.00 12.33 H new ATOM 0 HB2 LEU A 40 -4.462 -9.485 -5.070 1.00 72.55 H new ATOM 0 HB3 LEU A 40 -2.804 -9.783 -5.555 1.00 72.55 H new ATOM 0 HG LEU A 40 -3.537 -9.924 -7.930 1.00 73.11 H new ATOM 0 HD11 LEU A 40 -5.797 -9.149 -8.544 1.00 51.04 H new ATOM 0 HD12 LEU A 40 -5.848 -10.645 -7.581 1.00 51.04 H new ATOM 0 HD13 LEU A 40 -6.237 -9.083 -6.821 1.00 51.04 H new ATOM 0 HD21 LEU A 40 -3.974 -7.511 -8.221 1.00 31.14 H new ATOM 0 HD22 LEU A 40 -4.328 -7.372 -6.482 1.00 31.14 H new ATOM 0 HD23 LEU A 40 -2.691 -7.812 -7.024 1.00 31.14 H new ATOM 655 N MET A 41 -1.907 -12.421 -6.336 1.00 44.12 N ATOM 656 CA MET A 41 -0.947 -13.129 -7.195 1.00 64.11 C ATOM 657 C MET A 41 -1.372 -14.586 -7.441 1.00 44.21 C ATOM 658 O MET A 41 -1.176 -15.123 -8.529 1.00 33.34 O ATOM 659 CB MET A 41 0.459 -13.091 -6.580 1.00 63.33 C ATOM 660 CG MET A 41 1.034 -11.686 -6.393 1.00 34.02 C ATOM 661 SD MET A 41 1.286 -10.791 -7.948 1.00 21.44 S ATOM 662 CE MET A 41 -0.323 -10.043 -8.222 1.00 34.25 C ATOM 0 H MET A 41 -1.509 -12.069 -5.465 1.00 44.12 H new ATOM 0 HA MET A 41 -0.931 -12.615 -8.156 1.00 64.11 H new ATOM 0 HB2 MET A 41 0.431 -13.590 -5.611 1.00 63.33 H new ATOM 0 HB3 MET A 41 1.135 -13.664 -7.215 1.00 63.33 H new ATOM 0 HG2 MET A 41 0.362 -11.110 -5.757 1.00 34.02 H new ATOM 0 HG3 MET A 41 1.986 -11.759 -5.868 1.00 34.02 H new ATOM 0 HE1 MET A 41 -0.824 -10.550 -9.046 1.00 34.25 H new ATOM 0 HE2 MET A 41 -0.926 -10.136 -7.319 1.00 34.25 H new ATOM 0 HE3 MET A 41 -0.197 -8.989 -8.468 1.00 34.25 H new ATOM 672 N ALA A 42 -1.958 -15.217 -6.425 1.00 35.23 N ATOM 673 CA ALA A 42 -2.460 -16.593 -6.547 1.00 33.52 C ATOM 674 C ALA A 42 -3.651 -16.686 -7.521 1.00 11.03 C ATOM 675 O ALA A 42 -3.891 -17.732 -8.130 1.00 31.31 O ATOM 676 CB ALA A 42 -2.865 -17.120 -5.175 1.00 45.20 C ATOM 0 H ALA A 42 -2.099 -14.800 -5.505 1.00 35.23 H new ATOM 0 HA ALA A 42 -1.655 -17.206 -6.953 1.00 33.52 H new ATOM 0 HB1 ALA A 42 -3.236 -18.140 -5.272 1.00 45.20 H new ATOM 0 HB2 ALA A 42 -2.000 -17.110 -4.512 1.00 45.20 H new ATOM 0 HB3 ALA A 42 -3.649 -16.487 -4.759 1.00 45.20 H new ATOM 682 N LEU A 43 -4.393 -15.589 -7.652 1.00 21.22 N ATOM 683 CA LEU A 43 -5.585 -15.540 -8.512 1.00 23.31 C ATOM 684 C LEU A 43 -5.238 -15.220 -9.977 1.00 31.04 C ATOM 685 O LEU A 43 -5.913 -15.676 -10.900 1.00 70.03 O ATOM 686 CB LEU A 43 -6.566 -14.491 -7.967 1.00 13.25 C ATOM 687 CG LEU A 43 -7.187 -14.826 -6.602 1.00 3.33 C ATOM 688 CD1 LEU A 43 -7.898 -13.611 -6.017 1.00 70.45 C ATOM 689 CD2 LEU A 43 -8.151 -16.002 -6.732 1.00 12.11 C ATOM 0 H LEU A 43 -4.192 -14.712 -7.171 1.00 21.22 H new ATOM 0 HA LEU A 43 -6.043 -16.529 -8.498 1.00 23.31 H new ATOM 0 HB2 LEU A 43 -6.046 -13.536 -7.888 1.00 13.25 H new ATOM 0 HB3 LEU A 43 -7.370 -14.357 -8.691 1.00 13.25 H new ATOM 0 HG LEU A 43 -6.385 -15.109 -5.920 1.00 3.33 H new ATOM 0 HD11 LEU A 43 -8.330 -13.872 -5.051 1.00 70.45 H new ATOM 0 HD12 LEU A 43 -7.183 -12.799 -5.887 1.00 70.45 H new ATOM 0 HD13 LEU A 43 -8.690 -13.292 -6.694 1.00 70.45 H new ATOM 0 HD21 LEU A 43 -8.583 -16.228 -5.757 1.00 12.11 H new ATOM 0 HD22 LEU A 43 -8.947 -15.745 -7.431 1.00 12.11 H new ATOM 0 HD23 LEU A 43 -7.612 -16.875 -7.101 1.00 12.11 H new ATOM 701 N VAL A 44 -4.186 -14.433 -10.184 1.00 1.11 N ATOM 702 CA VAL A 44 -3.794 -14.001 -11.532 1.00 22.52 C ATOM 703 C VAL A 44 -2.720 -14.920 -12.143 1.00 14.42 C ATOM 704 O VAL A 44 -1.620 -15.059 -11.604 1.00 12.41 O ATOM 705 CB VAL A 44 -3.272 -12.544 -11.516 1.00 12.14 C ATOM 706 CG1 VAL A 44 -2.950 -12.060 -12.931 1.00 31.33 C ATOM 707 CG2 VAL A 44 -4.283 -11.618 -10.838 1.00 44.50 C ATOM 0 H VAL A 44 -3.586 -14.079 -9.439 1.00 1.11 H new ATOM 0 HA VAL A 44 -4.689 -14.060 -12.151 1.00 22.52 H new ATOM 0 HB VAL A 44 -2.348 -12.521 -10.939 1.00 12.14 H new ATOM 0 HG11 VAL A 44 -2.585 -11.034 -12.890 1.00 31.33 H new ATOM 0 HG12 VAL A 44 -2.184 -12.700 -13.369 1.00 31.33 H new ATOM 0 HG13 VAL A 44 -3.851 -12.101 -13.543 1.00 31.33 H new ATOM 0 HG21 VAL A 44 -3.898 -10.598 -10.836 1.00 44.50 H new ATOM 0 HG22 VAL A 44 -5.227 -11.649 -11.382 1.00 44.50 H new ATOM 0 HG23 VAL A 44 -4.445 -11.946 -9.811 1.00 44.50 H new ATOM 865 N MET A 54 -11.126 -17.200 -15.712 1.00 73.23 N ATOM 866 CA MET A 54 -11.396 -15.938 -15.006 1.00 14.22 C ATOM 867 C MET A 54 -12.686 -15.993 -14.171 1.00 15.04 C ATOM 868 O MET A 54 -12.682 -15.639 -12.987 1.00 12.02 O ATOM 869 CB MET A 54 -11.480 -14.782 -16.008 1.00 54.04 C ATOM 870 CG MET A 54 -11.731 -13.433 -15.353 1.00 42.40 C ATOM 871 SD MET A 54 -11.967 -12.111 -16.551 1.00 55.34 S ATOM 872 CE MET A 54 -12.259 -10.728 -15.456 1.00 43.44 C ATOM 0 HA MET A 54 -10.567 -15.776 -14.317 1.00 14.22 H new ATOM 0 HB2 MET A 54 -10.551 -14.735 -16.576 1.00 54.04 H new ATOM 0 HB3 MET A 54 -12.279 -14.986 -16.721 1.00 54.04 H new ATOM 0 HG2 MET A 54 -12.613 -13.502 -14.716 1.00 42.40 H new ATOM 0 HG3 MET A 54 -10.889 -13.186 -14.706 1.00 42.40 H new ATOM 0 HE1 MET A 54 -11.694 -9.863 -15.804 1.00 43.44 H new ATOM 0 HE2 MET A 54 -13.322 -10.488 -15.448 1.00 43.44 H new ATOM 0 HE3 MET A 54 -11.939 -10.989 -14.447 1.00 43.44 H new ATOM 882 N GLU A 55 -13.783 -16.439 -14.785 1.00 5.00 N ATOM 883 CA GLU A 55 -15.080 -16.530 -14.096 1.00 41.34 C ATOM 884 C GLU A 55 -14.964 -17.305 -12.770 1.00 1.32 C ATOM 885 O GLU A 55 -15.616 -16.971 -11.780 1.00 13.41 O ATOM 886 CB GLU A 55 -16.115 -17.216 -15.003 1.00 44.43 C ATOM 887 CG GLU A 55 -17.468 -17.455 -14.331 1.00 61.40 C ATOM 888 CD GLU A 55 -18.243 -18.611 -14.947 1.00 1.51 C ATOM 889 OE1 GLU A 55 -17.831 -19.772 -14.751 1.00 31.24 O ATOM 890 OE2 GLU A 55 -19.275 -18.373 -15.611 1.00 11.31 O ATOM 0 H GLU A 55 -13.804 -16.744 -15.758 1.00 5.00 H new ATOM 0 HA GLU A 55 -15.405 -15.514 -13.870 1.00 41.34 H new ATOM 0 HB2 GLU A 55 -16.266 -16.605 -15.893 1.00 44.43 H new ATOM 0 HB3 GLU A 55 -15.713 -18.172 -15.338 1.00 44.43 H new ATOM 0 HG2 GLU A 55 -17.311 -17.654 -13.271 1.00 61.40 H new ATOM 0 HG3 GLU A 55 -18.067 -16.547 -14.399 1.00 61.40 H new ATOM 897 N ARG A 56 -14.103 -18.321 -12.746 1.00 21.12 N ATOM 898 CA ARG A 56 -13.976 -19.196 -11.572 1.00 21.13 C ATOM 899 C ARG A 56 -13.278 -18.488 -10.394 1.00 32.41 C ATOM 900 O ARG A 56 -13.218 -19.019 -9.285 1.00 35.10 O ATOM 901 CB ARG A 56 -13.214 -20.478 -11.943 1.00 71.20 C ATOM 902 CG ARG A 56 -13.698 -21.143 -13.235 1.00 34.24 C ATOM 903 CD ARG A 56 -15.221 -21.266 -13.298 1.00 12.30 C ATOM 904 NE ARG A 56 -15.776 -21.951 -12.132 1.00 15.44 N ATOM 905 CZ ARG A 56 -16.951 -21.694 -11.616 1.00 52.52 C ATOM 906 NH1 ARG A 56 -17.729 -20.807 -12.157 1.00 74.32 N ATOM 907 NH2 ARG A 56 -17.351 -22.348 -10.570 1.00 42.45 N ATOM 0 H ARG A 56 -13.484 -18.561 -13.520 1.00 21.12 H new ATOM 0 HA ARG A 56 -14.985 -19.454 -11.249 1.00 21.13 H new ATOM 0 HB2 ARG A 56 -12.155 -20.242 -12.044 1.00 71.20 H new ATOM 0 HB3 ARG A 56 -13.305 -21.191 -11.124 1.00 71.20 H new ATOM 0 HG2 ARG A 56 -13.348 -20.565 -14.090 1.00 34.24 H new ATOM 0 HG3 ARG A 56 -13.253 -22.135 -13.318 1.00 34.24 H new ATOM 0 HD2 ARG A 56 -15.660 -20.271 -13.374 1.00 12.30 H new ATOM 0 HD3 ARG A 56 -15.501 -21.808 -14.201 1.00 12.30 H new ATOM 0 HE ARG A 56 -15.211 -22.677 -11.692 1.00 15.44 H new ATOM 0 HH11 ARG A 56 -17.426 -20.304 -12.991 1.00 74.32 H new ATOM 0 HH12 ARG A 56 -18.643 -20.613 -11.748 1.00 74.32 H new ATOM 0 HH21 ARG A 56 -16.751 -23.059 -10.153 1.00 42.45 H new ATOM 0 HH22 ARG A 56 -18.266 -22.151 -10.164 1.00 42.45 H new ATOM 921 N HIS A 57 -12.737 -17.295 -10.640 1.00 62.31 N ATOM 922 CA HIS A 57 -12.108 -16.491 -9.581 1.00 64.21 C ATOM 923 C HIS A 57 -12.712 -15.078 -9.495 1.00 63.03 C ATOM 924 O HIS A 57 -12.217 -14.238 -8.739 1.00 53.13 O ATOM 925 CB HIS A 57 -10.595 -16.371 -9.820 1.00 63.24 C ATOM 926 CG HIS A 57 -9.835 -17.662 -9.739 1.00 33.42 C ATOM 927 ND1 HIS A 57 -10.344 -18.826 -9.199 1.00 4.24 N ATOM 928 CD2 HIS A 57 -8.575 -17.959 -10.133 1.00 51.52 C ATOM 929 CE1 HIS A 57 -9.429 -19.775 -9.265 1.00 4.51 C ATOM 930 NE2 HIS A 57 -8.347 -19.275 -9.827 1.00 43.21 N ATOM 0 H HIS A 57 -12.719 -16.860 -11.562 1.00 62.31 H new ATOM 0 HA HIS A 57 -12.297 -17.007 -8.640 1.00 64.21 H new ATOM 0 HB2 HIS A 57 -10.432 -15.932 -10.804 1.00 63.24 H new ATOM 0 HB3 HIS A 57 -10.181 -15.677 -9.089 1.00 63.24 H new ATOM 0 HD1 HIS A 57 -11.280 -18.936 -8.810 1.00 4.24 H new ATOM 0 HD2 HIS A 57 -7.877 -17.282 -10.603 1.00 51.52 H new ATOM 0 HE1 HIS A 57 -9.547 -20.791 -8.917 1.00 4.51 H new ATOM 939 N ILE A 58 -13.786 -14.824 -10.249 1.00 11.01 N ATOM 940 CA ILE A 58 -14.356 -13.470 -10.347 1.00 42.23 C ATOM 941 C ILE A 58 -14.769 -12.909 -8.971 1.00 2.54 C ATOM 942 O ILE A 58 -14.523 -11.743 -8.675 1.00 55.45 O ATOM 943 CB ILE A 58 -15.567 -13.414 -11.325 1.00 22.33 C ATOM 944 CG1 ILE A 58 -16.003 -11.955 -11.565 1.00 11.41 C ATOM 945 CG2 ILE A 58 -16.742 -14.241 -10.804 1.00 52.53 C ATOM 946 CD1 ILE A 58 -14.952 -11.103 -12.248 1.00 70.14 C ATOM 0 H ILE A 58 -14.277 -15.530 -10.798 1.00 11.01 H new ATOM 0 HA ILE A 58 -13.560 -12.841 -10.747 1.00 42.23 H new ATOM 0 HB ILE A 58 -15.247 -13.845 -12.274 1.00 22.33 H new ATOM 0 HG12 ILE A 58 -16.909 -11.952 -12.171 1.00 11.41 H new ATOM 0 HG13 ILE A 58 -16.259 -11.501 -10.608 1.00 11.41 H new ATOM 0 HG21 ILE A 58 -17.571 -14.181 -11.510 1.00 52.53 H new ATOM 0 HG22 ILE A 58 -16.434 -15.281 -10.693 1.00 52.53 H new ATOM 0 HG23 ILE A 58 -17.060 -13.852 -9.837 1.00 52.53 H new ATOM 0 HD11 ILE A 58 -15.334 -10.091 -12.381 1.00 70.14 H new ATOM 0 HD12 ILE A 58 -14.052 -11.073 -11.633 1.00 70.14 H new ATOM 0 HD13 ILE A 58 -14.712 -11.531 -13.221 1.00 70.14 H new ATOM 958 N ASN A 59 -15.381 -13.739 -8.127 1.00 75.21 N ATOM 959 CA ASN A 59 -15.791 -13.305 -6.786 1.00 4.32 C ATOM 960 C ASN A 59 -14.626 -13.362 -5.786 1.00 73.31 C ATOM 961 O ASN A 59 -14.562 -12.561 -4.852 1.00 34.02 O ATOM 962 CB ASN A 59 -16.973 -14.138 -6.283 1.00 42.21 C ATOM 963 CG ASN A 59 -18.255 -13.841 -7.043 1.00 4.22 C ATOM 964 OD1 ASN A 59 -18.470 -12.730 -7.520 1.00 13.13 O ATOM 965 ND2 ASN A 59 -19.122 -14.827 -7.160 1.00 70.22 N ATOM 0 H ASN A 59 -15.604 -14.711 -8.343 1.00 75.21 H new ATOM 0 HA ASN A 59 -16.106 -12.264 -6.864 1.00 4.32 H new ATOM 0 HB2 ASN A 59 -16.734 -15.197 -6.378 1.00 42.21 H new ATOM 0 HB3 ASN A 59 -17.128 -13.940 -5.222 1.00 42.21 H new ATOM 0 HD21 ASN A 59 -20.000 -14.678 -7.658 1.00 70.22 H new ATOM 0 HD22 ASN A 59 -18.915 -15.739 -6.753 1.00 70.22 H new ATOM 972 N GLU A 60 -13.707 -14.302 -5.991 1.00 71.45 N ATOM 973 CA GLU A 60 -12.523 -14.424 -5.131 1.00 23.14 C ATOM 974 C GLU A 60 -11.690 -13.134 -5.171 1.00 71.14 C ATOM 975 O GLU A 60 -11.298 -12.587 -4.138 1.00 75.42 O ATOM 976 CB GLU A 60 -11.643 -15.608 -5.572 1.00 31.23 C ATOM 977 CG GLU A 60 -12.397 -16.917 -5.796 1.00 13.24 C ATOM 978 CD GLU A 60 -13.294 -17.309 -4.632 1.00 71.32 C ATOM 979 OE1 GLU A 60 -12.784 -17.452 -3.500 1.00 35.42 O ATOM 980 OE2 GLU A 60 -14.515 -17.479 -4.850 1.00 42.10 O ATOM 0 H GLU A 60 -13.755 -14.991 -6.742 1.00 71.45 H new ATOM 0 HA GLU A 60 -12.872 -14.598 -4.113 1.00 23.14 H new ATOM 0 HB2 GLU A 60 -11.130 -15.338 -6.495 1.00 31.23 H new ATOM 0 HB3 GLU A 60 -10.874 -15.772 -4.817 1.00 31.23 H new ATOM 0 HG2 GLU A 60 -13.003 -16.828 -6.697 1.00 13.24 H new ATOM 0 HG3 GLU A 60 -11.677 -17.716 -5.974 1.00 13.24 H new ATOM 987 N ILE A 61 -11.441 -12.647 -6.386 1.00 24.24 N ATOM 988 CA ILE A 61 -10.623 -11.452 -6.587 1.00 62.32 C ATOM 989 C ILE A 61 -11.307 -10.187 -6.034 1.00 33.15 C ATOM 990 O ILE A 61 -10.635 -9.235 -5.640 1.00 22.12 O ATOM 991 CB ILE A 61 -10.267 -11.270 -8.087 1.00 14.22 C ATOM 992 CG1 ILE A 61 -9.271 -10.115 -8.276 1.00 44.41 C ATOM 993 CG2 ILE A 61 -11.525 -11.048 -8.922 1.00 61.31 C ATOM 994 CD1 ILE A 61 -8.734 -10.000 -9.688 1.00 62.23 C ATOM 0 H ILE A 61 -11.795 -13.063 -7.248 1.00 24.24 H new ATOM 0 HA ILE A 61 -9.699 -11.596 -6.026 1.00 62.32 H new ATOM 0 HB ILE A 61 -9.790 -12.186 -8.435 1.00 14.22 H new ATOM 0 HG12 ILE A 61 -9.758 -9.179 -8.004 1.00 44.41 H new ATOM 0 HG13 ILE A 61 -8.436 -10.251 -7.589 1.00 44.41 H new ATOM 0 HG21 ILE A 61 -11.249 -10.923 -9.969 1.00 61.31 H new ATOM 0 HG22 ILE A 61 -12.186 -11.909 -8.821 1.00 61.31 H new ATOM 0 HG23 ILE A 61 -12.040 -10.153 -8.573 1.00 61.31 H new ATOM 0 HD11 ILE A 61 -8.038 -9.163 -9.745 1.00 62.23 H new ATOM 0 HD12 ILE A 61 -8.217 -10.921 -9.957 1.00 62.23 H new ATOM 0 HD13 ILE A 61 -9.560 -9.832 -10.379 1.00 62.23 H new ATOM 1006 N ARG A 62 -12.644 -10.191 -5.983 1.00 2.25 N ATOM 1007 CA ARG A 62 -13.400 -9.080 -5.383 1.00 23.42 C ATOM 1008 C ARG A 62 -12.997 -8.876 -3.914 1.00 35.35 C ATOM 1009 O ARG A 62 -12.881 -7.745 -3.440 1.00 4.35 O ATOM 1010 CB ARG A 62 -14.912 -9.338 -5.487 1.00 20.22 C ATOM 1011 CG ARG A 62 -15.405 -9.470 -6.923 1.00 52.25 C ATOM 1012 CD ARG A 62 -16.866 -9.905 -7.003 1.00 51.11 C ATOM 1013 NE ARG A 62 -17.791 -8.880 -6.523 1.00 20.53 N ATOM 1014 CZ ARG A 62 -19.084 -8.923 -6.703 1.00 1.31 C ATOM 1015 NH1 ARG A 62 -19.635 -9.950 -7.276 1.00 0.25 N ATOM 1016 NH2 ARG A 62 -19.828 -7.948 -6.287 1.00 11.14 N ATOM 0 H ARG A 62 -13.225 -10.946 -6.347 1.00 2.25 H new ATOM 0 HA ARG A 62 -13.161 -8.171 -5.936 1.00 23.42 H new ATOM 0 HB2 ARG A 62 -15.156 -10.250 -4.941 1.00 20.22 H new ATOM 0 HB3 ARG A 62 -15.447 -8.522 -5.000 1.00 20.22 H new ATOM 0 HG2 ARG A 62 -15.285 -8.515 -7.434 1.00 52.25 H new ATOM 0 HG3 ARG A 62 -14.785 -10.194 -7.451 1.00 52.25 H new ATOM 0 HD2 ARG A 62 -17.110 -10.153 -8.036 1.00 51.11 H new ATOM 0 HD3 ARG A 62 -17.002 -10.814 -6.417 1.00 51.11 H new ATOM 0 HE ARG A 62 -17.404 -8.083 -6.017 1.00 20.53 H new ATOM 0 HH11 ARG A 62 -19.057 -10.730 -7.589 1.00 0.25 H new ATOM 0 HH12 ARG A 62 -20.645 -9.976 -7.413 1.00 0.25 H new ATOM 0 HH21 ARG A 62 -19.404 -7.147 -5.819 1.00 11.14 H new ATOM 0 HH22 ARG A 62 -20.838 -7.981 -6.427 1.00 11.14 H new ATOM 1030 N THR A 63 -12.779 -9.982 -3.201 1.00 14.42 N ATOM 1031 CA THR A 63 -12.279 -9.924 -1.823 1.00 11.22 C ATOM 1032 C THR A 63 -10.801 -9.517 -1.794 1.00 61.24 C ATOM 1033 O THR A 63 -10.418 -8.604 -1.068 1.00 5.21 O ATOM 1034 CB THR A 63 -12.453 -11.277 -1.084 1.00 32.31 C ATOM 1035 OG1 THR A 63 -13.851 -11.577 -0.933 1.00 23.04 O ATOM 1036 CG2 THR A 63 -11.784 -11.260 0.293 1.00 54.42 C ATOM 0 H THR A 63 -12.940 -10.926 -3.552 1.00 14.42 H new ATOM 0 HA THR A 63 -12.874 -9.171 -1.306 1.00 11.22 H new ATOM 0 HB THR A 63 -11.970 -12.046 -1.686 1.00 32.31 H new ATOM 0 HG1 THR A 63 -13.953 -12.433 -0.467 1.00 23.04 H new ATOM 0 HG21 THR A 63 -11.928 -12.225 0.779 1.00 54.42 H new ATOM 0 HG22 THR A 63 -10.717 -11.067 0.177 1.00 54.42 H new ATOM 0 HG23 THR A 63 -12.230 -10.476 0.904 1.00 54.42 H new ATOM 1044 N ALA A 64 -9.980 -10.189 -2.605 1.00 1.31 N ATOM 1045 CA ALA A 64 -8.537 -9.903 -2.669 1.00 61.52 C ATOM 1046 C ALA A 64 -8.256 -8.403 -2.876 1.00 43.13 C ATOM 1047 O ALA A 64 -7.480 -7.802 -2.133 1.00 23.50 O ATOM 1048 CB ALA A 64 -7.889 -10.718 -3.784 1.00 52.23 C ATOM 0 H ALA A 64 -10.286 -10.936 -3.228 1.00 1.31 H new ATOM 0 HA ALA A 64 -8.103 -10.189 -1.711 1.00 61.52 H new ATOM 0 HB1 ALA A 64 -6.822 -10.499 -3.822 1.00 52.23 H new ATOM 0 HB2 ALA A 64 -8.034 -11.781 -3.589 1.00 52.23 H new ATOM 0 HB3 ALA A 64 -8.347 -10.458 -4.738 1.00 52.23 H new ATOM 1054 N VAL A 65 -8.901 -7.812 -3.883 1.00 40.03 N ATOM 1055 CA VAL A 65 -8.787 -6.371 -4.150 1.00 13.34 C ATOM 1056 C VAL A 65 -9.151 -5.541 -2.908 1.00 13.52 C ATOM 1057 O VAL A 65 -8.427 -4.616 -2.525 1.00 73.42 O ATOM 1058 CB VAL A 65 -9.703 -5.953 -5.335 1.00 33.42 C ATOM 1059 CG1 VAL A 65 -9.736 -4.433 -5.510 1.00 34.32 C ATOM 1060 CG2 VAL A 65 -9.250 -6.632 -6.626 1.00 10.32 C ATOM 0 H VAL A 65 -9.511 -8.309 -4.532 1.00 40.03 H new ATOM 0 HA VAL A 65 -7.747 -6.173 -4.412 1.00 13.34 H new ATOM 0 HB VAL A 65 -10.716 -6.281 -5.103 1.00 33.42 H new ATOM 0 HG11 VAL A 65 -10.386 -4.177 -6.347 1.00 34.32 H new ATOM 0 HG12 VAL A 65 -10.117 -3.970 -4.600 1.00 34.32 H new ATOM 0 HG13 VAL A 65 -8.728 -4.068 -5.708 1.00 34.32 H new ATOM 0 HG21 VAL A 65 -9.902 -6.328 -7.445 1.00 10.32 H new ATOM 0 HG22 VAL A 65 -8.225 -6.339 -6.851 1.00 10.32 H new ATOM 0 HG23 VAL A 65 -9.300 -7.714 -6.505 1.00 10.32 H new ATOM 1070 N ASP A 66 -10.269 -5.893 -2.276 1.00 3.31 N ATOM 1071 CA ASP A 66 -10.744 -5.198 -1.078 1.00 74.32 C ATOM 1072 C ASP A 66 -9.722 -5.296 0.076 1.00 71.12 C ATOM 1073 O ASP A 66 -9.517 -4.334 0.824 1.00 64.02 O ATOM 1074 CB ASP A 66 -12.096 -5.785 -0.651 1.00 30.23 C ATOM 1075 CG ASP A 66 -12.739 -5.013 0.486 1.00 61.04 C ATOM 1076 OD1 ASP A 66 -13.300 -3.926 0.227 1.00 44.43 O ATOM 1077 OD2 ASP A 66 -12.693 -5.483 1.640 1.00 34.33 O ATOM 0 H ASP A 66 -10.868 -6.662 -2.576 1.00 3.31 H new ATOM 0 HA ASP A 66 -10.865 -4.141 -1.316 1.00 74.32 H new ATOM 0 HB2 ASP A 66 -12.771 -5.792 -1.507 1.00 30.23 H new ATOM 0 HB3 ASP A 66 -11.957 -6.822 -0.347 1.00 30.23 H new ATOM 1082 N LYS A 67 -9.078 -6.457 0.206 1.00 11.40 N ATOM 1083 CA LYS A 67 -8.076 -6.674 1.256 1.00 33.20 C ATOM 1084 C LYS A 67 -6.817 -5.831 1.006 1.00 32.34 C ATOM 1085 O LYS A 67 -6.274 -5.229 1.933 1.00 1.22 O ATOM 1086 CB LYS A 67 -7.696 -8.160 1.359 1.00 34.51 C ATOM 1087 CG LYS A 67 -8.893 -9.098 1.509 1.00 73.12 C ATOM 1088 CD LYS A 67 -8.477 -10.498 1.956 1.00 5.03 C ATOM 1089 CE LYS A 67 -8.103 -10.523 3.430 1.00 62.42 C ATOM 1090 NZ LYS A 67 -7.701 -11.878 3.883 1.00 53.43 N ATOM 0 H LYS A 67 -9.231 -7.262 -0.401 1.00 11.40 H new ATOM 0 HA LYS A 67 -8.523 -6.360 2.199 1.00 33.20 H new ATOM 0 HB2 LYS A 67 -7.134 -8.444 0.469 1.00 34.51 H new ATOM 0 HB3 LYS A 67 -7.031 -8.296 2.212 1.00 34.51 H new ATOM 0 HG2 LYS A 67 -9.591 -8.680 2.234 1.00 73.12 H new ATOM 0 HG3 LYS A 67 -9.422 -9.164 0.558 1.00 73.12 H new ATOM 0 HD2 LYS A 67 -9.294 -11.197 1.775 1.00 5.03 H new ATOM 0 HD3 LYS A 67 -7.630 -10.835 1.359 1.00 5.03 H new ATOM 0 HE2 LYS A 67 -7.285 -9.825 3.608 1.00 62.42 H new ATOM 0 HE3 LYS A 67 -8.950 -10.179 4.024 1.00 62.42 H new ATOM 0 HZ1 LYS A 67 -7.455 -11.848 4.893 1.00 53.43 H new ATOM 0 HZ2 LYS A 67 -8.490 -12.540 3.739 1.00 53.43 H new ATOM 0 HZ3 LYS A 67 -6.876 -12.197 3.335 1.00 53.43 H new ATOM 1104 N VAL A 68 -6.359 -5.784 -0.249 1.00 44.32 N ATOM 1105 CA VAL A 68 -5.186 -4.975 -0.612 1.00 51.44 C ATOM 1106 C VAL A 68 -5.381 -3.504 -0.201 1.00 74.12 C ATOM 1107 O VAL A 68 -4.494 -2.893 0.398 1.00 22.45 O ATOM 1108 CB VAL A 68 -4.879 -5.060 -2.134 1.00 20.12 C ATOM 1109 CG1 VAL A 68 -3.691 -4.171 -2.509 1.00 12.35 C ATOM 1110 CG2 VAL A 68 -4.622 -6.510 -2.552 1.00 44.22 C ATOM 0 H VAL A 68 -6.778 -6.292 -1.028 1.00 44.32 H new ATOM 0 HA VAL A 68 -4.335 -5.385 -0.068 1.00 51.44 H new ATOM 0 HB VAL A 68 -5.753 -4.695 -2.673 1.00 20.12 H new ATOM 0 HG11 VAL A 68 -3.500 -4.251 -3.579 1.00 12.35 H new ATOM 0 HG12 VAL A 68 -3.918 -3.135 -2.258 1.00 12.35 H new ATOM 0 HG13 VAL A 68 -2.807 -4.493 -1.958 1.00 12.35 H new ATOM 0 HG21 VAL A 68 -4.409 -6.548 -3.620 1.00 44.22 H new ATOM 0 HG22 VAL A 68 -3.770 -6.903 -1.998 1.00 44.22 H new ATOM 0 HG23 VAL A 68 -5.504 -7.113 -2.336 1.00 44.22 H new ATOM 1120 N GLU A 69 -6.559 -2.954 -0.505 1.00 75.15 N ATOM 1121 CA GLU A 69 -6.915 -1.588 -0.089 1.00 32.30 C ATOM 1122 C GLU A 69 -6.879 -1.438 1.442 1.00 1.20 C ATOM 1123 O GLU A 69 -6.476 -0.398 1.966 1.00 12.05 O ATOM 1124 CB GLU A 69 -8.314 -1.214 -0.626 1.00 53.24 C ATOM 1125 CG GLU A 69 -8.295 -0.431 -1.940 1.00 74.13 C ATOM 1126 CD GLU A 69 -7.967 1.044 -1.733 1.00 11.24 C ATOM 1127 OE1 GLU A 69 -6.776 1.385 -1.573 1.00 11.44 O ATOM 1128 OE2 GLU A 69 -8.907 1.871 -1.698 1.00 15.24 O ATOM 0 H GLU A 69 -7.286 -3.431 -1.038 1.00 75.15 H new ATOM 0 HA GLU A 69 -6.175 -0.908 -0.510 1.00 32.30 H new ATOM 0 HB2 GLU A 69 -8.892 -2.127 -0.769 1.00 53.24 H new ATOM 0 HB3 GLU A 69 -8.834 -0.623 0.128 1.00 53.24 H new ATOM 0 HG2 GLU A 69 -7.560 -0.873 -2.613 1.00 74.13 H new ATOM 0 HG3 GLU A 69 -9.266 -0.520 -2.427 1.00 74.13 H new ATOM 1135 N LEU A 70 -7.302 -2.486 2.150 1.00 4.42 N ATOM 1136 CA LEU A 70 -7.306 -2.486 3.619 1.00 14.31 C ATOM 1137 C LEU A 70 -5.879 -2.421 4.196 1.00 44.33 C ATOM 1138 O LEU A 70 -5.536 -1.480 4.915 1.00 65.44 O ATOM 1139 CB LEU A 70 -8.034 -3.735 4.144 1.00 23.14 C ATOM 1140 CG LEU A 70 -8.028 -3.918 5.676 1.00 4.10 C ATOM 1141 CD1 LEU A 70 -8.697 -2.731 6.371 1.00 45.33 C ATOM 1142 CD2 LEU A 70 -8.715 -5.229 6.065 1.00 5.24 C ATOM 0 H LEU A 70 -7.648 -3.349 1.731 1.00 4.42 H new ATOM 0 HA LEU A 70 -7.835 -1.592 3.949 1.00 14.31 H new ATOM 0 HB2 LEU A 70 -9.069 -3.699 3.805 1.00 23.14 H new ATOM 0 HB3 LEU A 70 -7.580 -4.616 3.689 1.00 23.14 H new ATOM 0 HG LEU A 70 -6.991 -3.962 6.007 1.00 4.10 H new ATOM 0 HD11 LEU A 70 -8.680 -2.884 7.450 1.00 45.33 H new ATOM 0 HD12 LEU A 70 -8.159 -1.815 6.126 1.00 45.33 H new ATOM 0 HD13 LEU A 70 -9.730 -2.646 6.033 1.00 45.33 H new ATOM 0 HD21 LEU A 70 -8.700 -5.340 7.149 1.00 5.24 H new ATOM 0 HD22 LEU A 70 -9.747 -5.217 5.715 1.00 5.24 H new ATOM 0 HD23 LEU A 70 -8.187 -6.066 5.608 1.00 5.24 H new ATOM 1154 N PHE A 71 -5.052 -3.416 3.871 1.00 52.42 N ATOM 1155 CA PHE A 71 -3.671 -3.476 4.379 1.00 1.41 C ATOM 1156 C PHE A 71 -2.865 -2.233 3.960 1.00 70.11 C ATOM 1157 O PHE A 71 -2.103 -1.674 4.754 1.00 2.54 O ATOM 1158 CB PHE A 71 -2.968 -4.751 3.888 1.00 33.15 C ATOM 1159 CG PHE A 71 -3.645 -6.028 4.325 1.00 25.02 C ATOM 1160 CD1 PHE A 71 -3.693 -6.383 5.667 1.00 21.34 C ATOM 1161 CD2 PHE A 71 -4.232 -6.875 3.395 1.00 60.34 C ATOM 1162 CE1 PHE A 71 -4.308 -7.554 6.068 1.00 33.32 C ATOM 1163 CE2 PHE A 71 -4.849 -8.047 3.792 1.00 64.25 C ATOM 1164 CZ PHE A 71 -4.887 -8.386 5.129 1.00 55.41 C ATOM 0 H PHE A 71 -5.309 -4.192 3.260 1.00 52.42 H new ATOM 0 HA PHE A 71 -3.721 -3.497 5.468 1.00 1.41 H new ATOM 0 HB2 PHE A 71 -2.919 -4.731 2.799 1.00 33.15 H new ATOM 0 HB3 PHE A 71 -1.941 -4.752 4.253 1.00 33.15 H new ATOM 0 HD1 PHE A 71 -3.244 -5.736 6.406 1.00 21.34 H new ATOM 0 HD2 PHE A 71 -4.206 -6.615 2.347 1.00 60.34 H new ATOM 0 HE1 PHE A 71 -4.336 -7.819 7.115 1.00 33.32 H new ATOM 0 HE2 PHE A 71 -5.301 -8.696 3.057 1.00 64.25 H new ATOM 0 HZ PHE A 71 -5.369 -9.301 5.441 1.00 55.41 H new ATOM 1174 N LEU A 72 -3.048 -1.801 2.714 1.00 42.14 N ATOM 1175 CA LEU A 72 -2.369 -0.607 2.203 1.00 55.43 C ATOM 1176 C LEU A 72 -2.811 0.655 2.963 1.00 73.23 C ATOM 1177 O LEU A 72 -1.996 1.534 3.253 1.00 13.14 O ATOM 1178 CB LEU A 72 -2.639 -0.441 0.703 1.00 15.50 C ATOM 1179 CG LEU A 72 -1.949 0.764 0.043 1.00 60.35 C ATOM 1180 CD1 LEU A 72 -0.435 0.698 0.247 1.00 33.42 C ATOM 1181 CD2 LEU A 72 -2.296 0.832 -1.443 1.00 53.11 C ATOM 0 H LEU A 72 -3.660 -2.258 2.038 1.00 42.14 H new ATOM 0 HA LEU A 72 -1.298 -0.739 2.360 1.00 55.43 H new ATOM 0 HB2 LEU A 72 -2.319 -1.348 0.190 1.00 15.50 H new ATOM 0 HB3 LEU A 72 -3.715 -0.351 0.552 1.00 15.50 H new ATOM 0 HG LEU A 72 -2.314 1.674 0.520 1.00 60.35 H new ATOM 0 HD11 LEU A 72 0.034 1.560 -0.228 1.00 33.42 H new ATOM 0 HD12 LEU A 72 -0.211 0.705 1.314 1.00 33.42 H new ATOM 0 HD13 LEU A 72 -0.047 -0.218 -0.199 1.00 33.42 H new ATOM 0 HD21 LEU A 72 -1.799 1.691 -1.894 1.00 53.11 H new ATOM 0 HD22 LEU A 72 -1.962 -0.081 -1.937 1.00 53.11 H new ATOM 0 HD23 LEU A 72 -3.375 0.934 -1.560 1.00 53.11 H new ATOM 1193 N LYS A 73 -4.102 0.733 3.282 1.00 61.04 N ATOM 1194 CA LYS A 73 -4.650 1.857 4.050 1.00 40.42 C ATOM 1195 C LYS A 73 -3.963 1.971 5.420 1.00 70.45 C ATOM 1196 O LYS A 73 -3.586 3.064 5.855 1.00 11.43 O ATOM 1197 CB LYS A 73 -6.164 1.674 4.237 1.00 21.31 C ATOM 1198 CG LYS A 73 -6.878 2.899 4.799 1.00 51.01 C ATOM 1199 CD LYS A 73 -8.368 2.641 5.022 1.00 5.44 C ATOM 1200 CE LYS A 73 -9.080 2.213 3.739 1.00 12.51 C ATOM 1201 NZ LYS A 73 -9.008 3.252 2.674 1.00 40.43 N ATOM 0 H LYS A 73 -4.793 0.030 3.021 1.00 61.04 H new ATOM 0 HA LYS A 73 -4.463 2.776 3.495 1.00 40.42 H new ATOM 0 HB2 LYS A 73 -6.609 1.418 3.276 1.00 21.31 H new ATOM 0 HB3 LYS A 73 -6.337 0.829 4.904 1.00 21.31 H new ATOM 0 HG2 LYS A 73 -6.415 3.187 5.743 1.00 51.01 H new ATOM 0 HG3 LYS A 73 -6.754 3.737 4.114 1.00 51.01 H new ATOM 0 HD2 LYS A 73 -8.491 1.867 5.779 1.00 5.44 H new ATOM 0 HD3 LYS A 73 -8.837 3.545 5.411 1.00 5.44 H new ATOM 0 HE2 LYS A 73 -8.635 1.289 3.371 1.00 12.51 H new ATOM 0 HE3 LYS A 73 -10.125 1.997 3.962 1.00 12.51 H new ATOM 0 HZ1 LYS A 73 -9.562 2.943 1.850 1.00 40.43 H new ATOM 0 HZ2 LYS A 73 -9.395 4.147 3.036 1.00 40.43 H new ATOM 0 HZ3 LYS A 73 -8.017 3.392 2.392 1.00 40.43 H new ATOM 1215 N GLU A 74 -3.801 0.828 6.090 1.00 4.44 N ATOM 1216 CA GLU A 74 -3.119 0.779 7.387 1.00 54.30 C ATOM 1217 C GLU A 74 -1.659 1.244 7.261 1.00 12.34 C ATOM 1218 O GLU A 74 -1.146 1.962 8.126 1.00 71.42 O ATOM 1219 CB GLU A 74 -3.163 -0.642 7.979 1.00 64.21 C ATOM 1220 CG GLU A 74 -4.570 -1.207 8.159 1.00 75.21 C ATOM 1221 CD GLU A 74 -4.593 -2.450 9.042 1.00 20.54 C ATOM 1222 OE1 GLU A 74 -4.602 -2.294 10.284 1.00 31.32 O ATOM 1223 OE2 GLU A 74 -4.587 -3.580 8.508 1.00 63.40 O ATOM 0 H GLU A 74 -4.133 -0.077 5.756 1.00 4.44 H new ATOM 0 HA GLU A 74 -3.645 1.457 8.059 1.00 54.30 H new ATOM 0 HB2 GLU A 74 -2.596 -1.310 7.331 1.00 64.21 H new ATOM 0 HB3 GLU A 74 -2.661 -0.635 8.946 1.00 64.21 H new ATOM 0 HG2 GLU A 74 -5.211 -0.442 8.597 1.00 75.21 H new ATOM 0 HG3 GLU A 74 -4.987 -1.452 7.182 1.00 75.21 H new ATOM 1230 N TYR A 75 -0.998 0.836 6.174 1.00 5.31 N ATOM 1231 CA TYR A 75 0.393 1.226 5.917 1.00 35.43 C ATOM 1232 C TYR A 75 0.523 2.743 5.686 1.00 31.25 C ATOM 1233 O TYR A 75 1.264 3.426 6.398 1.00 72.24 O ATOM 1234 CB TYR A 75 0.957 0.463 4.707 1.00 55.22 C ATOM 1235 CG TYR A 75 2.381 0.864 4.360 1.00 2.32 C ATOM 1236 CD1 TYR A 75 3.464 0.313 5.037 1.00 23.33 C ATOM 1237 CD2 TYR A 75 2.640 1.813 3.373 1.00 53.43 C ATOM 1238 CE1 TYR A 75 4.759 0.692 4.740 1.00 34.12 C ATOM 1239 CE2 TYR A 75 3.932 2.200 3.077 1.00 10.01 C ATOM 1240 CZ TYR A 75 4.988 1.635 3.762 1.00 24.40 C ATOM 1241 OH TYR A 75 6.275 2.024 3.474 1.00 4.35 O ATOM 0 H TYR A 75 -1.404 0.235 5.457 1.00 5.31 H new ATOM 0 HA TYR A 75 0.971 0.966 6.804 1.00 35.43 H new ATOM 0 HB2 TYR A 75 0.927 -0.607 4.914 1.00 55.22 H new ATOM 0 HB3 TYR A 75 0.316 0.639 3.843 1.00 55.22 H new ATOM 0 HD1 TYR A 75 3.290 -0.423 5.808 1.00 23.33 H new ATOM 0 HD2 TYR A 75 1.816 2.253 2.830 1.00 53.43 H new ATOM 0 HE1 TYR A 75 5.589 0.251 5.272 1.00 34.12 H new ATOM 0 HE2 TYR A 75 4.115 2.941 2.313 1.00 10.01 H new ATOM 0 HH TYR A 75 6.896 1.305 3.714 1.00 4.35 H new ATOM 1251 N LEU A 76 -0.199 3.263 4.688 1.00 61.04 N ATOM 1252 CA LEU A 76 -0.145 4.694 4.356 1.00 31.22 C ATOM 1253 C LEU A 76 -0.468 5.575 5.577 1.00 32.10 C ATOM 1254 O LEU A 76 0.115 6.643 5.748 1.00 35.53 O ATOM 1255 CB LEU A 76 -1.082 5.020 3.175 1.00 41.33 C ATOM 1256 CG LEU A 76 -0.525 4.654 1.779 1.00 13.12 C ATOM 1257 CD1 LEU A 76 -1.554 4.916 0.677 1.00 14.24 C ATOM 1258 CD2 LEU A 76 0.760 5.431 1.499 1.00 2.10 C ATOM 0 H LEU A 76 -0.826 2.718 4.097 1.00 61.04 H new ATOM 0 HA LEU A 76 0.877 4.921 4.053 1.00 31.22 H new ATOM 0 HB2 LEU A 76 -2.025 4.494 3.323 1.00 41.33 H new ATOM 0 HB3 LEU A 76 -1.306 6.087 3.192 1.00 41.33 H new ATOM 0 HG LEU A 76 -0.302 3.587 1.780 1.00 13.12 H new ATOM 0 HD11 LEU A 76 -1.128 4.648 -0.290 1.00 14.24 H new ATOM 0 HD12 LEU A 76 -2.445 4.315 0.861 1.00 14.24 H new ATOM 0 HD13 LEU A 76 -1.823 5.972 0.674 1.00 14.24 H new ATOM 0 HD21 LEU A 76 1.140 5.163 0.513 1.00 2.10 H new ATOM 0 HD22 LEU A 76 0.552 6.501 1.529 1.00 2.10 H new ATOM 0 HD23 LEU A 76 1.506 5.185 2.255 1.00 2.10 H new ATOM 1270 N HIS A 77 -1.382 5.117 6.432 1.00 15.13 N ATOM 1271 CA HIS A 77 -1.689 5.822 7.687 1.00 30.24 C ATOM 1272 C HIS A 77 -0.440 5.973 8.577 1.00 25.12 C ATOM 1273 O HIS A 77 -0.198 7.038 9.149 1.00 21.23 O ATOM 1274 CB HIS A 77 -2.789 5.080 8.461 1.00 43.12 C ATOM 1275 CG HIS A 77 -3.048 5.640 9.834 1.00 22.41 C ATOM 1276 ND1 HIS A 77 -2.761 4.956 10.998 1.00 11.35 N ATOM 1277 CD2 HIS A 77 -3.561 6.833 10.226 1.00 41.24 C ATOM 1278 CE1 HIS A 77 -3.084 5.699 12.038 1.00 73.31 C ATOM 1279 NE2 HIS A 77 -3.570 6.842 11.599 1.00 40.23 N ATOM 0 H HIS A 77 -1.923 4.265 6.284 1.00 15.13 H new ATOM 0 HA HIS A 77 -2.039 6.820 7.423 1.00 30.24 H new ATOM 0 HB2 HIS A 77 -3.713 5.115 7.884 1.00 43.12 H new ATOM 0 HB3 HIS A 77 -2.511 4.030 8.553 1.00 43.12 H new ATOM 0 HD2 HIS A 77 -3.900 7.628 9.578 1.00 41.24 H new ATOM 0 HE1 HIS A 77 -2.970 5.418 13.075 1.00 73.31 H new ATOM 0 HE2 HIS A 77 -3.900 7.610 12.184 1.00 40.23 H new ATOM 1288 N PHE A 78 0.345 4.903 8.685 1.00 72.41 N ATOM 1289 CA PHE A 78 1.523 4.885 9.562 1.00 61.12 C ATOM 1290 C PHE A 78 2.613 5.845 9.056 1.00 24.44 C ATOM 1291 O PHE A 78 3.091 6.711 9.796 1.00 33.43 O ATOM 1292 CB PHE A 78 2.077 3.455 9.655 1.00 0.32 C ATOM 1293 CG PHE A 78 3.030 3.228 10.809 1.00 23.00 C ATOM 1294 CD1 PHE A 78 4.375 3.562 10.706 1.00 64.11 C ATOM 1295 CD2 PHE A 78 2.575 2.676 11.999 1.00 12.43 C ATOM 1296 CE1 PHE A 78 5.241 3.350 11.765 1.00 22.24 C ATOM 1297 CE2 PHE A 78 3.437 2.462 13.058 1.00 50.24 C ATOM 1298 CZ PHE A 78 4.770 2.800 12.941 1.00 41.03 C ATOM 0 H PHE A 78 0.189 4.033 8.176 1.00 72.41 H new ATOM 0 HA PHE A 78 1.217 5.222 10.553 1.00 61.12 H new ATOM 0 HB2 PHE A 78 1.242 2.760 9.747 1.00 0.32 H new ATOM 0 HB3 PHE A 78 2.590 3.216 8.723 1.00 0.32 H new ATOM 0 HD1 PHE A 78 4.749 3.992 9.789 1.00 64.11 H new ATOM 0 HD2 PHE A 78 1.533 2.410 12.099 1.00 12.43 H new ATOM 0 HE1 PHE A 78 6.284 3.614 11.672 1.00 22.24 H new ATOM 0 HE2 PHE A 78 3.068 2.031 13.977 1.00 50.24 H new ATOM 0 HZ PHE A 78 5.444 2.635 13.768 1.00 41.03 H new ATOM 1308 N VAL A 79 2.996 5.691 7.789 1.00 71.15 N ATOM 1309 CA VAL A 79 4.050 6.523 7.194 1.00 34.22 C ATOM 1310 C VAL A 79 3.698 8.022 7.232 1.00 3.34 C ATOM 1311 O VAL A 79 4.559 8.858 7.506 1.00 31.35 O ATOM 1312 CB VAL A 79 4.360 6.089 5.738 1.00 3.24 C ATOM 1313 CG1 VAL A 79 4.902 4.662 5.710 1.00 11.23 C ATOM 1314 CG2 VAL A 79 3.123 6.209 4.853 1.00 14.50 C ATOM 0 H VAL A 79 2.596 5.001 7.154 1.00 71.15 H new ATOM 0 HA VAL A 79 4.942 6.371 7.802 1.00 34.22 H new ATOM 0 HB VAL A 79 5.123 6.759 5.342 1.00 3.24 H new ATOM 0 HG11 VAL A 79 5.114 4.374 4.681 1.00 11.23 H new ATOM 0 HG12 VAL A 79 5.818 4.609 6.298 1.00 11.23 H new ATOM 0 HG13 VAL A 79 4.161 3.983 6.132 1.00 11.23 H new ATOM 0 HG21 VAL A 79 3.370 5.898 3.838 1.00 14.50 H new ATOM 0 HG22 VAL A 79 2.332 5.571 5.245 1.00 14.50 H new ATOM 0 HG23 VAL A 79 2.782 7.244 4.842 1.00 14.50 H new ATOM 1324 N LYS A 80 2.430 8.352 6.974 1.00 33.14 N ATOM 1325 CA LYS A 80 1.961 9.746 7.048 1.00 24.32 C ATOM 1326 C LYS A 80 2.164 10.326 8.456 1.00 20.31 C ATOM 1327 O LYS A 80 2.615 11.465 8.613 1.00 11.12 O ATOM 1328 CB LYS A 80 0.480 9.831 6.649 1.00 65.50 C ATOM 1329 CG LYS A 80 0.223 9.578 5.164 1.00 60.43 C ATOM 1330 CD LYS A 80 -1.265 9.407 4.873 1.00 35.21 C ATOM 1331 CE LYS A 80 -1.543 9.232 3.385 1.00 21.11 C ATOM 1332 NZ LYS A 80 -1.214 10.455 2.611 1.00 64.23 N ATOM 0 H LYS A 80 1.709 7.679 6.713 1.00 33.14 H new ATOM 0 HA LYS A 80 2.552 10.338 6.349 1.00 24.32 H new ATOM 0 HB2 LYS A 80 -0.086 9.106 7.234 1.00 65.50 H new ATOM 0 HB3 LYS A 80 0.100 10.818 6.910 1.00 65.50 H new ATOM 0 HG2 LYS A 80 0.615 10.410 4.579 1.00 60.43 H new ATOM 0 HG3 LYS A 80 0.761 8.684 4.848 1.00 60.43 H new ATOM 0 HD2 LYS A 80 -1.643 8.541 5.416 1.00 35.21 H new ATOM 0 HD3 LYS A 80 -1.808 10.277 5.243 1.00 35.21 H new ATOM 0 HE2 LYS A 80 -0.960 8.394 3.003 1.00 21.11 H new ATOM 0 HE3 LYS A 80 -2.594 8.982 3.239 1.00 21.11 H new ATOM 0 HZ1 LYS A 80 -1.557 10.351 1.635 1.00 64.23 H new ATOM 0 HZ2 LYS A 80 -1.671 11.279 3.052 1.00 64.23 H new ATOM 0 HZ3 LYS A 80 -0.183 10.594 2.603 1.00 64.23 H new ATOM 1346 N GLY A 81 1.837 9.533 9.478 1.00 53.31 N ATOM 1347 CA GLY A 81 2.053 9.959 10.858 1.00 34.40 C ATOM 1348 C GLY A 81 3.522 10.249 11.161 1.00 71.13 C ATOM 1349 O GLY A 81 3.845 11.192 11.885 1.00 5.41 O ATOM 0 H GLY A 81 1.427 8.605 9.377 1.00 53.31 H new ATOM 0 HA2 GLY A 81 1.462 10.853 11.055 1.00 34.40 H new ATOM 0 HA3 GLY A 81 1.693 9.184 11.534 1.00 34.40 H new ATOM 1353 N ALA A 82 4.410 9.430 10.606 1.00 64.02 N ATOM 1354 CA ALA A 82 5.856 9.637 10.747 1.00 53.31 C ATOM 1355 C ALA A 82 6.320 10.941 10.072 1.00 65.15 C ATOM 1356 O ALA A 82 7.058 11.730 10.666 1.00 53.40 O ATOM 1357 CB ALA A 82 6.615 8.445 10.176 1.00 24.01 C ATOM 0 H ALA A 82 4.157 8.612 10.051 1.00 64.02 H new ATOM 0 HA ALA A 82 6.074 9.726 11.811 1.00 53.31 H new ATOM 0 HB1 ALA A 82 7.687 8.610 10.286 1.00 24.01 H new ATOM 0 HB2 ALA A 82 6.330 7.541 10.713 1.00 24.01 H new ATOM 0 HB3 ALA A 82 6.372 8.331 9.120 1.00 24.01 H new ATOM 1363 N VAL A 83 5.880 11.167 8.830 1.00 44.44 N ATOM 1364 CA VAL A 83 6.243 12.385 8.081 1.00 54.54 C ATOM 1365 C VAL A 83 5.893 13.661 8.865 1.00 25.20 C ATOM 1366 O VAL A 83 6.662 14.628 8.881 1.00 31.35 O ATOM 1367 CB VAL A 83 5.543 12.432 6.695 1.00 2.12 C ATOM 1368 CG1 VAL A 83 5.910 13.710 5.935 1.00 24.30 C ATOM 1369 CG2 VAL A 83 5.894 11.197 5.867 1.00 13.34 C ATOM 0 H VAL A 83 5.273 10.527 8.319 1.00 44.44 H new ATOM 0 HA VAL A 83 7.322 12.345 7.935 1.00 54.54 H new ATOM 0 HB VAL A 83 4.466 12.437 6.866 1.00 2.12 H new ATOM 0 HG11 VAL A 83 5.406 13.716 4.969 1.00 24.30 H new ATOM 0 HG12 VAL A 83 5.597 14.580 6.513 1.00 24.30 H new ATOM 0 HG13 VAL A 83 6.989 13.745 5.782 1.00 24.30 H new ATOM 0 HG21 VAL A 83 5.392 11.252 4.901 1.00 13.34 H new ATOM 0 HG22 VAL A 83 6.972 11.156 5.714 1.00 13.34 H new ATOM 0 HG23 VAL A 83 5.568 10.301 6.394 1.00 13.34 H new ATOM 1379 N ALA A 84 4.734 13.655 9.521 1.00 42.13 N ATOM 1380 CA ALA A 84 4.298 14.791 10.341 1.00 14.15 C ATOM 1381 C ALA A 84 5.289 15.090 11.483 1.00 3.22 C ATOM 1382 O ALA A 84 5.485 16.248 11.861 1.00 54.41 O ATOM 1383 CB ALA A 84 2.904 14.522 10.896 1.00 15.44 C ATOM 0 H ALA A 84 4.076 12.876 9.502 1.00 42.13 H new ATOM 0 HA ALA A 84 4.268 15.674 9.703 1.00 14.15 H new ATOM 0 HB1 ALA A 84 2.585 15.368 11.504 1.00 15.44 H new ATOM 0 HB2 ALA A 84 2.205 14.383 10.072 1.00 15.44 H new ATOM 0 HB3 ALA A 84 2.924 13.621 11.510 1.00 15.44 H new ATOM 1389 N ASN A 85 5.918 14.045 12.023 1.00 4.30 N ATOM 1390 CA ASN A 85 6.914 14.205 13.094 1.00 44.33 C ATOM 1391 C ASN A 85 8.229 14.795 12.556 1.00 64.50 C ATOM 1392 O ASN A 85 8.863 15.627 13.209 1.00 61.11 O ATOM 1393 CB ASN A 85 7.188 12.857 13.776 1.00 21.33 C ATOM 1394 CG ASN A 85 5.964 12.306 14.484 1.00 62.31 C ATOM 1395 OD1 ASN A 85 5.115 13.051 14.959 1.00 32.21 O ATOM 1396 ND2 ASN A 85 5.867 10.996 14.569 1.00 24.00 N ATOM 0 H ASN A 85 5.759 13.078 11.740 1.00 4.30 H new ATOM 0 HA ASN A 85 6.503 14.901 13.825 1.00 44.33 H new ATOM 0 HB2 ASN A 85 7.527 12.138 13.030 1.00 21.33 H new ATOM 0 HB3 ASN A 85 7.998 12.975 14.496 1.00 21.33 H new ATOM 0 HD21 ASN A 85 5.068 10.573 15.041 1.00 24.00 H new ATOM 0 HD22 ASN A 85 6.591 10.404 14.163 1.00 24.00 H new ATOM 1403 N ALA A 86 8.626 14.364 11.358 1.00 1.15 N ATOM 1404 CA ALA A 86 9.851 14.856 10.712 1.00 61.42 C ATOM 1405 C ALA A 86 9.855 16.386 10.544 1.00 74.33 C ATOM 1406 O ALA A 86 10.911 17.002 10.395 1.00 3.14 O ATOM 1407 CB ALA A 86 10.035 14.184 9.359 1.00 41.41 C ATOM 0 H ALA A 86 8.116 13.671 10.810 1.00 1.15 H new ATOM 0 HA ALA A 86 10.684 14.601 11.367 1.00 61.42 H new ATOM 0 HB1 ALA A 86 10.945 14.556 8.889 1.00 41.41 H new ATOM 0 HB2 ALA A 86 10.112 13.105 9.496 1.00 41.41 H new ATOM 0 HB3 ALA A 86 9.180 14.409 8.722 1.00 41.41 H new ATOM 1413 N ALA A 87 8.671 16.993 10.562 1.00 3.22 N ATOM 1414 CA ALA A 87 8.538 18.450 10.419 1.00 51.51 C ATOM 1415 C ALA A 87 9.166 19.218 11.601 1.00 60.14 C ATOM 1416 O ALA A 87 9.336 20.437 11.536 1.00 13.00 O ATOM 1417 CB ALA A 87 7.064 18.820 10.267 1.00 41.15 C ATOM 0 H ALA A 87 7.784 16.501 10.674 1.00 3.22 H new ATOM 0 HA ALA A 87 9.086 18.744 9.524 1.00 51.51 H new ATOM 0 HB1 ALA A 87 6.969 19.901 10.161 1.00 41.15 H new ATOM 0 HB2 ALA A 87 6.656 18.332 9.382 1.00 41.15 H new ATOM 0 HB3 ALA A 87 6.514 18.492 11.149 1.00 41.15 H new ATOM 1423 N CYS A 88 9.502 18.507 12.679 1.00 51.43 N ATOM 1424 CA CYS A 88 10.121 19.132 13.864 1.00 72.55 C ATOM 1425 C CYS A 88 11.637 18.865 13.930 1.00 62.33 C ATOM 1426 O CYS A 88 12.289 19.184 14.928 1.00 23.15 O ATOM 1427 CB CYS A 88 9.448 18.618 15.145 1.00 41.33 C ATOM 1428 SG CYS A 88 10.054 19.389 16.668 1.00 31.24 S ATOM 0 H CYS A 88 9.359 17.501 12.762 1.00 51.43 H new ATOM 0 HA CYS A 88 9.975 20.209 13.778 1.00 72.55 H new ATOM 0 HB2 CYS A 88 8.374 18.786 15.069 1.00 41.33 H new ATOM 0 HB3 CYS A 88 9.598 17.540 15.213 1.00 41.33 H new ATOM 0 HG CYS A 88 11.330 19.614 16.562 1.00 31.24 H new ATOM 1434 N LEU A 89 12.196 18.287 12.869 1.00 53.41 N ATOM 1435 CA LEU A 89 13.633 17.983 12.813 1.00 64.51 C ATOM 1436 C LEU A 89 14.463 19.205 12.377 1.00 72.54 C ATOM 1437 O LEU A 89 13.939 20.130 11.751 1.00 44.30 O ATOM 1438 CB LEU A 89 13.888 16.811 11.852 1.00 1.55 C ATOM 1439 CG LEU A 89 13.234 15.479 12.248 1.00 63.51 C ATOM 1440 CD1 LEU A 89 13.631 14.376 11.273 1.00 53.02 C ATOM 1441 CD2 LEU A 89 13.605 15.098 13.679 1.00 0.14 C ATOM 0 H LEU A 89 11.678 18.017 12.032 1.00 53.41 H new ATOM 0 HA LEU A 89 13.949 17.708 13.819 1.00 64.51 H new ATOM 0 HB2 LEU A 89 13.530 17.091 10.861 1.00 1.55 H new ATOM 0 HB3 LEU A 89 14.964 16.658 11.771 1.00 1.55 H new ATOM 0 HG LEU A 89 12.152 15.602 12.201 1.00 63.51 H new ATOM 0 HD11 LEU A 89 13.158 13.440 11.570 1.00 53.02 H new ATOM 0 HD12 LEU A 89 13.305 14.644 10.268 1.00 53.02 H new ATOM 0 HD13 LEU A 89 14.714 14.254 11.283 1.00 53.02 H new ATOM 0 HD21 LEU A 89 13.131 14.151 13.938 1.00 0.14 H new ATOM 0 HD22 LEU A 89 14.687 14.996 13.759 1.00 0.14 H new ATOM 0 HD23 LEU A 89 13.262 15.875 14.363 1.00 0.14 H new ATOM 1453 N PRO A 90 15.774 19.234 12.720 1.00 0.23 N ATOM 1454 CA PRO A 90 16.677 20.328 12.312 1.00 51.31 C ATOM 1455 C PRO A 90 16.799 20.470 10.783 1.00 11.32 C ATOM 1456 O PRO A 90 16.884 21.584 10.262 1.00 42.34 O ATOM 1457 CB PRO A 90 18.030 19.939 12.934 1.00 53.14 C ATOM 1458 CG PRO A 90 17.922 18.478 13.227 1.00 74.30 C ATOM 1459 CD PRO A 90 16.474 18.226 13.544 1.00 25.24 C ATOM 0 HA PRO A 90 16.305 21.296 12.647 1.00 51.31 H new ATOM 0 HB2 PRO A 90 18.852 20.143 12.248 1.00 53.14 H new ATOM 0 HB3 PRO A 90 18.224 20.509 13.842 1.00 53.14 H new ATOM 0 HG2 PRO A 90 18.244 17.884 12.372 1.00 74.30 H new ATOM 0 HG3 PRO A 90 18.559 18.200 14.066 1.00 74.30 H new ATOM 0 HD2 PRO A 90 16.174 17.211 13.282 1.00 25.24 H new ATOM 0 HD3 PRO A 90 16.264 18.356 14.606 1.00 25.24 H new ATOM 1467 N GLU A 91 16.822 19.344 10.065 1.00 21.15 N ATOM 1468 CA GLU A 91 16.863 19.371 8.597 1.00 42.33 C ATOM 1469 C GLU A 91 15.474 19.145 7.992 1.00 74.31 C ATOM 1470 O GLU A 91 14.909 18.052 8.081 1.00 42.33 O ATOM 1471 CB GLU A 91 17.831 18.318 8.030 1.00 72.04 C ATOM 1472 CG GLU A 91 19.310 18.656 8.185 1.00 13.32 C ATOM 1473 CD GLU A 91 19.778 18.700 9.631 1.00 34.51 C ATOM 1474 OE1 GLU A 91 19.747 17.647 10.298 1.00 23.22 O ATOM 1475 OE2 GLU A 91 20.187 19.782 10.100 1.00 41.43 O ATOM 0 H GLU A 91 16.813 18.408 10.471 1.00 21.15 H new ATOM 0 HA GLU A 91 17.220 20.363 8.322 1.00 42.33 H new ATOM 0 HB2 GLU A 91 17.637 17.365 8.523 1.00 72.04 H new ATOM 0 HB3 GLU A 91 17.614 18.179 6.971 1.00 72.04 H new ATOM 0 HG2 GLU A 91 19.901 17.918 7.643 1.00 13.32 H new ATOM 0 HG3 GLU A 91 19.503 19.623 7.720 1.00 13.32 H new ATOM 1482 N LEU A 92 14.936 20.180 7.356 1.00 45.31 N ATOM 1483 CA LEU A 92 13.705 20.050 6.578 1.00 3.43 C ATOM 1484 C LEU A 92 13.965 19.116 5.380 1.00 54.30 C ATOM 1485 O LEU A 92 13.044 18.541 4.805 1.00 72.12 O ATOM 1486 CB LEU A 92 13.233 21.448 6.117 1.00 21.40 C ATOM 1487 CG LEU A 92 11.717 21.624 5.859 1.00 11.42 C ATOM 1488 CD1 LEU A 92 11.259 20.878 4.607 1.00 4.43 C ATOM 1489 CD2 LEU A 92 10.909 21.177 7.080 1.00 60.12 C ATOM 0 H LEU A 92 15.332 21.120 7.363 1.00 45.31 H new ATOM 0 HA LEU A 92 12.913 19.615 7.188 1.00 3.43 H new ATOM 0 HB2 LEU A 92 13.536 22.174 6.871 1.00 21.40 H new ATOM 0 HB3 LEU A 92 13.765 21.701 5.200 1.00 21.40 H new ATOM 0 HG LEU A 92 11.537 22.685 5.687 1.00 11.42 H new ATOM 0 HD11 LEU A 92 10.189 21.029 4.464 1.00 4.43 H new ATOM 0 HD12 LEU A 92 11.798 21.258 3.739 1.00 4.43 H new ATOM 0 HD13 LEU A 92 11.463 19.814 4.723 1.00 4.43 H new ATOM 0 HD21 LEU A 92 9.845 21.308 6.880 1.00 60.12 H new ATOM 0 HD22 LEU A 92 11.113 20.126 7.286 1.00 60.12 H new ATOM 0 HD23 LEU A 92 11.193 21.778 7.944 1.00 60.12 H new ATOM 1501 N ILE A 93 15.250 18.950 5.050 1.00 21.22 N ATOM 1502 CA ILE A 93 15.685 18.089 3.943 1.00 52.04 C ATOM 1503 C ILE A 93 15.096 16.671 4.056 1.00 23.30 C ATOM 1504 O ILE A 93 14.490 16.161 3.114 1.00 63.51 O ATOM 1505 CB ILE A 93 17.232 17.980 3.897 1.00 1.34 C ATOM 1506 CG1 ILE A 93 17.886 19.367 4.039 1.00 72.42 C ATOM 1507 CG2 ILE A 93 17.690 17.297 2.606 1.00 25.04 C ATOM 1508 CD1 ILE A 93 17.438 20.378 3.004 1.00 0.03 C ATOM 0 H ILE A 93 16.018 19.408 5.541 1.00 21.22 H new ATOM 0 HA ILE A 93 15.320 18.554 3.027 1.00 52.04 H new ATOM 0 HB ILE A 93 17.551 17.367 4.740 1.00 1.34 H new ATOM 0 HG12 ILE A 93 17.666 19.759 5.032 1.00 72.42 H new ATOM 0 HG13 ILE A 93 18.968 19.254 3.974 1.00 72.42 H new ATOM 0 HG21 ILE A 93 18.778 17.231 2.595 1.00 25.04 H new ATOM 0 HG22 ILE A 93 17.265 16.294 2.554 1.00 25.04 H new ATOM 0 HG23 ILE A 93 17.353 17.878 1.748 1.00 25.04 H new ATOM 0 HD11 ILE A 93 17.947 21.326 3.177 1.00 0.03 H new ATOM 0 HD12 ILE A 93 17.683 20.011 2.007 1.00 0.03 H new ATOM 0 HD13 ILE A 93 16.361 20.525 3.082 1.00 0.03 H new ATOM 1520 N LEU A 94 15.271 16.043 5.220 1.00 61.32 N ATOM 1521 CA LEU A 94 14.729 14.700 5.462 1.00 23.53 C ATOM 1522 C LEU A 94 13.198 14.695 5.343 1.00 61.41 C ATOM 1523 O LEU A 94 12.613 13.800 4.727 1.00 51.41 O ATOM 1524 CB LEU A 94 15.158 14.192 6.847 1.00 73.44 C ATOM 1525 CG LEU A 94 14.605 12.811 7.246 1.00 2.24 C ATOM 1526 CD1 LEU A 94 14.950 11.758 6.192 1.00 64.22 C ATOM 1527 CD2 LEU A 94 15.136 12.396 8.617 1.00 12.13 C ATOM 0 H LEU A 94 15.782 16.439 6.009 1.00 61.32 H new ATOM 0 HA LEU A 94 15.131 14.030 4.702 1.00 23.53 H new ATOM 0 HB2 LEU A 94 16.247 14.151 6.879 1.00 73.44 H new ATOM 0 HB3 LEU A 94 14.844 14.920 7.595 1.00 73.44 H new ATOM 0 HG LEU A 94 13.519 12.885 7.305 1.00 2.24 H new ATOM 0 HD11 LEU A 94 14.548 10.792 6.498 1.00 64.22 H new ATOM 0 HD12 LEU A 94 14.515 12.045 5.235 1.00 64.22 H new ATOM 0 HD13 LEU A 94 16.033 11.685 6.091 1.00 64.22 H new ATOM 0 HD21 LEU A 94 14.734 11.418 8.882 1.00 12.13 H new ATOM 0 HD22 LEU A 94 16.224 12.345 8.585 1.00 12.13 H new ATOM 0 HD23 LEU A 94 14.829 13.129 9.363 1.00 12.13 H new ATOM 1539 N HIS A 95 12.556 15.710 5.920 1.00 74.45 N ATOM 1540 CA HIS A 95 11.102 15.860 5.821 1.00 53.35 C ATOM 1541 C HIS A 95 10.663 15.978 4.351 1.00 41.21 C ATOM 1542 O HIS A 95 9.616 15.463 3.962 1.00 21.35 O ATOM 1543 CB HIS A 95 10.637 17.091 6.612 1.00 30.32 C ATOM 1544 CG HIS A 95 9.148 17.285 6.608 1.00 75.51 C ATOM 1545 ND1 HIS A 95 8.160 16.530 7.143 1.00 24.32 N flip ATOM 1546 CD2 HIS A 95 8.518 18.362 6.013 1.00 2.01 C flip ATOM 1547 CE1 HIS A 95 6.973 17.159 6.866 1.00 51.34 C flip ATOM 1548 NE2 HIS A 95 7.216 18.258 6.187 1.00 61.22 N flip ATOM 0 H HIS A 95 13.018 16.441 6.461 1.00 74.45 H new ATOM 0 HA HIS A 95 10.639 14.971 6.248 1.00 53.35 H new ATOM 0 HB2 HIS A 95 10.980 17.000 7.643 1.00 30.32 H new ATOM 0 HB3 HIS A 95 11.111 17.980 6.196 1.00 30.32 H new ATOM 0 HD2 HIS A 95 9.015 19.164 5.487 1.00 2.01 H new ATOM 0 HE1 HIS A 95 5.995 16.807 7.159 1.00 51.34 H new ATOM 0 HE2 HIS A 95 6.515 18.919 5.851 1.00 61.22 H new ATOM 1557 N ASN A 96 11.479 16.661 3.547 1.00 23.14 N ATOM 1558 CA ASN A 96 11.215 16.832 2.113 1.00 12.22 C ATOM 1559 C ASN A 96 11.397 15.505 1.352 1.00 61.30 C ATOM 1560 O ASN A 96 10.601 15.161 0.478 1.00 33.35 O ATOM 1561 CB ASN A 96 12.149 17.903 1.532 1.00 24.14 C ATOM 1562 CG ASN A 96 11.809 18.267 0.097 1.00 41.32 C ATOM 1563 OD1 ASN A 96 10.647 18.299 -0.291 1.00 30.11 O ATOM 1564 ND2 ASN A 96 12.815 18.527 -0.708 1.00 5.02 N ATOM 0 H ASN A 96 12.337 17.110 3.867 1.00 23.14 H new ATOM 0 HA ASN A 96 10.180 17.152 1.994 1.00 12.22 H new ATOM 0 HB2 ASN A 96 12.096 18.799 2.151 1.00 24.14 H new ATOM 0 HB3 ASN A 96 13.177 17.544 1.577 1.00 24.14 H new ATOM 0 HD21 ASN A 96 12.639 18.763 -1.684 1.00 5.02 H new ATOM 0 HD22 ASN A 96 13.772 18.493 -0.356 1.00 5.02 H new ATOM 1571 N LYS A 97 12.450 14.766 1.693 1.00 65.24 N ATOM 1572 CA LYS A 97 12.720 13.463 1.072 1.00 21.41 C ATOM 1573 C LYS A 97 11.591 12.458 1.345 1.00 21.45 C ATOM 1574 O LYS A 97 10.963 11.948 0.419 1.00 12.20 O ATOM 1575 CB LYS A 97 14.051 12.886 1.582 1.00 5.35 C ATOM 1576 CG LYS A 97 15.290 13.603 1.058 1.00 60.32 C ATOM 1577 CD LYS A 97 16.566 13.013 1.659 1.00 50.33 C ATOM 1578 CE LYS A 97 17.819 13.534 0.964 1.00 40.42 C ATOM 1579 NZ LYS A 97 17.895 13.083 -0.451 1.00 73.25 N ATOM 0 H LYS A 97 13.134 15.044 2.397 1.00 65.24 H new ATOM 0 HA LYS A 97 12.782 13.627 -0.004 1.00 21.41 H new ATOM 0 HB2 LYS A 97 14.057 12.926 2.671 1.00 5.35 H new ATOM 0 HB3 LYS A 97 14.109 11.834 1.301 1.00 5.35 H new ATOM 0 HG2 LYS A 97 15.327 13.524 -0.029 1.00 60.32 H new ATOM 0 HG3 LYS A 97 15.228 14.664 1.299 1.00 60.32 H new ATOM 0 HD2 LYS A 97 16.613 13.256 2.721 1.00 50.33 H new ATOM 0 HD3 LYS A 97 16.534 11.926 1.582 1.00 50.33 H new ATOM 0 HE2 LYS A 97 17.827 14.623 0.999 1.00 40.42 H new ATOM 0 HE3 LYS A 97 18.702 13.191 1.503 1.00 40.42 H new ATOM 0 HZ1 LYS A 97 18.867 13.202 -0.802 1.00 73.25 H new ATOM 0 HZ2 LYS A 97 17.626 12.080 -0.511 1.00 73.25 H new ATOM 0 HZ3 LYS A 97 17.245 13.651 -1.032 1.00 73.25 H new ATOM 1593 N MET A 98 11.330 12.188 2.619 1.00 54.34 N ATOM 1594 CA MET A 98 10.352 11.162 2.998 1.00 20.24 C ATOM 1595 C MET A 98 8.940 11.484 2.475 1.00 62.33 C ATOM 1596 O MET A 98 8.131 10.579 2.274 1.00 32.13 O ATOM 1597 CB MET A 98 10.338 10.969 4.522 1.00 51.31 C ATOM 1598 CG MET A 98 9.813 12.165 5.305 1.00 33.41 C ATOM 1599 SD MET A 98 10.022 11.972 7.086 1.00 2.51 S ATOM 1600 CE MET A 98 9.228 10.390 7.371 1.00 72.25 C ATOM 0 H MET A 98 11.776 12.659 3.406 1.00 54.34 H new ATOM 0 HA MET A 98 10.662 10.229 2.528 1.00 20.24 H new ATOM 0 HB2 MET A 98 9.727 10.098 4.760 1.00 51.31 H new ATOM 0 HB3 MET A 98 11.351 10.748 4.857 1.00 51.31 H new ATOM 0 HG2 MET A 98 10.332 13.066 4.977 1.00 33.41 H new ATOM 0 HG3 MET A 98 8.756 12.307 5.080 1.00 33.41 H new ATOM 0 HE1 MET A 98 8.599 10.453 8.259 1.00 72.25 H new ATOM 0 HE2 MET A 98 8.614 10.131 6.509 1.00 72.25 H new ATOM 0 HE3 MET A 98 9.988 9.623 7.519 1.00 72.25 H new ATOM 1610 N LYS A 99 8.643 12.768 2.244 1.00 51.40 N ATOM 1611 CA LYS A 99 7.334 13.153 1.700 1.00 50.35 C ATOM 1612 C LYS A 99 7.286 13.000 0.169 1.00 74.35 C ATOM 1613 O LYS A 99 6.303 12.493 -0.366 1.00 30.40 O ATOM 1614 CB LYS A 99 6.941 14.586 2.105 1.00 3.01 C ATOM 1615 CG LYS A 99 7.802 15.679 1.481 1.00 2.32 C ATOM 1616 CD LYS A 99 7.304 17.077 1.836 1.00 12.22 C ATOM 1617 CE LYS A 99 5.924 17.350 1.249 1.00 30.45 C ATOM 1618 NZ LYS A 99 5.455 18.727 1.555 1.00 52.20 N ATOM 0 H LYS A 99 9.278 13.546 2.421 1.00 51.40 H new ATOM 0 HA LYS A 99 6.606 12.468 2.135 1.00 50.35 H new ATOM 0 HB2 LYS A 99 5.901 14.757 1.826 1.00 3.01 H new ATOM 0 HB3 LYS A 99 6.998 14.672 3.190 1.00 3.01 H new ATOM 0 HG2 LYS A 99 8.832 15.565 1.819 1.00 2.32 H new ATOM 0 HG3 LYS A 99 7.807 15.561 0.397 1.00 2.32 H new ATOM 0 HD2 LYS A 99 7.266 17.185 2.920 1.00 12.22 H new ATOM 0 HD3 LYS A 99 8.010 17.820 1.466 1.00 12.22 H new ATOM 0 HE2 LYS A 99 5.954 17.208 0.169 1.00 30.45 H new ATOM 0 HE3 LYS A 99 5.211 16.627 1.645 1.00 30.45 H new ATOM 0 HZ1 LYS A 99 4.513 18.874 1.139 1.00 52.20 H new ATOM 0 HZ2 LYS A 99 5.402 18.855 2.586 1.00 52.20 H new ATOM 0 HZ3 LYS A 99 6.122 19.418 1.155 1.00 52.20 H new ATOM 1632 N ARG A 100 8.344 13.423 -0.542 1.00 5.11 N ATOM 1633 CA ARG A 100 8.366 13.305 -2.010 1.00 44.45 C ATOM 1634 C ARG A 100 8.285 11.835 -2.449 1.00 73.13 C ATOM 1635 O ARG A 100 7.558 11.495 -3.388 1.00 55.13 O ATOM 1636 CB ARG A 100 9.618 13.968 -2.621 1.00 42.22 C ATOM 1637 CG ARG A 100 10.949 13.380 -2.155 1.00 22.24 C ATOM 1638 CD ARG A 100 12.037 13.522 -3.215 1.00 54.30 C ATOM 1639 NE ARG A 100 11.851 12.566 -4.308 1.00 42.04 N ATOM 1640 CZ ARG A 100 12.172 12.784 -5.554 1.00 4.12 C ATOM 1641 NH1 ARG A 100 12.637 13.933 -5.933 1.00 15.35 N ATOM 1642 NH2 ARG A 100 12.017 11.843 -6.429 1.00 24.44 N ATOM 0 H ARG A 100 9.180 13.842 -0.135 1.00 5.11 H new ATOM 0 HA ARG A 100 7.488 13.833 -2.382 1.00 44.45 H new ATOM 0 HB2 ARG A 100 9.561 13.886 -3.706 1.00 42.22 H new ATOM 0 HB3 ARG A 100 9.603 15.031 -2.380 1.00 42.22 H new ATOM 0 HG2 ARG A 100 11.266 13.880 -1.240 1.00 22.24 H new ATOM 0 HG3 ARG A 100 10.815 12.326 -1.912 1.00 22.24 H new ATOM 0 HD2 ARG A 100 12.028 14.537 -3.613 1.00 54.30 H new ATOM 0 HD3 ARG A 100 13.014 13.367 -2.758 1.00 54.30 H new ATOM 0 HE ARG A 100 11.440 11.661 -4.078 1.00 42.04 H new ATOM 0 HH11 ARG A 100 12.757 14.684 -5.253 1.00 15.35 H new ATOM 0 HH12 ARG A 100 12.883 14.086 -6.911 1.00 15.35 H new ATOM 0 HH21 ARG A 100 11.646 10.937 -6.143 1.00 24.44 H new ATOM 0 HH22 ARG A 100 12.266 12.007 -7.404 1.00 24.44 H new ATOM 1656 N GLU A 101 9.024 10.968 -1.756 1.00 34.23 N ATOM 1657 CA GLU A 101 8.995 9.529 -2.035 1.00 51.13 C ATOM 1658 C GLU A 101 7.595 8.960 -1.772 1.00 74.04 C ATOM 1659 O GLU A 101 7.036 8.243 -2.603 1.00 21.54 O ATOM 1660 CB GLU A 101 10.035 8.801 -1.169 1.00 72.10 C ATOM 1661 CG GLU A 101 11.449 9.366 -1.293 1.00 1.43 C ATOM 1662 CD GLU A 101 12.063 9.183 -2.674 1.00 62.25 C ATOM 1663 OE1 GLU A 101 11.623 9.861 -3.627 1.00 34.22 O ATOM 1664 OE2 GLU A 101 13.001 8.371 -2.811 1.00 0.44 O ATOM 0 H GLU A 101 9.651 11.236 -0.997 1.00 34.23 H new ATOM 0 HA GLU A 101 9.240 9.374 -3.086 1.00 51.13 H new ATOM 0 HB2 GLU A 101 9.724 8.852 -0.126 1.00 72.10 H new ATOM 0 HB3 GLU A 101 10.050 7.747 -1.446 1.00 72.10 H new ATOM 0 HG2 GLU A 101 11.428 10.429 -1.052 1.00 1.43 H new ATOM 0 HG3 GLU A 101 12.089 8.884 -0.554 1.00 1.43 H new ATOM 1671 N LEU A 102 7.034 9.303 -0.610 1.00 64.45 N ATOM 1672 CA LEU A 102 5.674 8.893 -0.246 1.00 44.31 C ATOM 1673 C LEU A 102 4.649 9.355 -1.293 1.00 40.44 C ATOM 1674 O LEU A 102 3.771 8.594 -1.693 1.00 60.30 O ATOM 1675 CB LEU A 102 5.305 9.460 1.133 1.00 61.51 C ATOM 1676 CG LEU A 102 3.892 9.111 1.633 1.00 35.12 C ATOM 1677 CD1 LEU A 102 3.701 7.597 1.708 1.00 51.14 C ATOM 1678 CD2 LEU A 102 3.625 9.761 2.990 1.00 53.53 C ATOM 0 H LEU A 102 7.503 9.867 0.099 1.00 64.45 H new ATOM 0 HA LEU A 102 5.651 7.804 -0.209 1.00 44.31 H new ATOM 0 HB2 LEU A 102 6.030 9.098 1.862 1.00 61.51 H new ATOM 0 HB3 LEU A 102 5.402 10.545 1.099 1.00 61.51 H new ATOM 0 HG LEU A 102 3.170 9.506 0.918 1.00 35.12 H new ATOM 0 HD11 LEU A 102 2.695 7.374 2.064 1.00 51.14 H new ATOM 0 HD12 LEU A 102 3.840 7.163 0.718 1.00 51.14 H new ATOM 0 HD13 LEU A 102 4.432 7.172 2.396 1.00 51.14 H new ATOM 0 HD21 LEU A 102 2.621 9.502 3.326 1.00 53.53 H new ATOM 0 HD22 LEU A 102 4.355 9.401 3.716 1.00 53.53 H new ATOM 0 HD23 LEU A 102 3.709 10.844 2.898 1.00 53.53 H new ATOM 1690 N GLN A 103 4.775 10.605 -1.736 1.00 71.32 N ATOM 1691 CA GLN A 103 3.885 11.166 -2.757 1.00 0.30 C ATOM 1692 C GLN A 103 3.935 10.341 -4.051 1.00 32.23 C ATOM 1693 O GLN A 103 2.901 9.963 -4.591 1.00 31.41 O ATOM 1694 CB GLN A 103 4.252 12.632 -3.030 1.00 73.45 C ATOM 1695 CG GLN A 103 3.891 13.578 -1.885 1.00 32.45 C ATOM 1696 CD GLN A 103 2.399 13.875 -1.809 1.00 41.14 C ATOM 1697 OE1 GLN A 103 1.921 14.859 -2.369 1.00 30.31 O ATOM 1698 NE2 GLN A 103 1.644 13.022 -1.145 1.00 21.34 N ATOM 0 H GLN A 103 5.488 11.253 -1.403 1.00 71.32 H new ATOM 0 HA GLN A 103 2.863 11.126 -2.380 1.00 0.30 H new ATOM 0 HB2 GLN A 103 5.323 12.700 -3.222 1.00 73.45 H new ATOM 0 HB3 GLN A 103 3.744 12.962 -3.936 1.00 73.45 H new ATOM 0 HG2 GLN A 103 4.218 13.140 -0.942 1.00 32.45 H new ATOM 0 HG3 GLN A 103 4.437 14.514 -2.008 1.00 32.45 H new ATOM 0 HE21 GLN A 103 2.067 12.213 -0.690 1.00 21.34 H new ATOM 0 HE22 GLN A 103 0.637 13.171 -1.087 1.00 21.34 H new ATOM 1707 N ARG A 104 5.144 10.043 -4.529 1.00 33.35 N ATOM 1708 CA ARG A 104 5.318 9.191 -5.714 1.00 21.25 C ATOM 1709 C ARG A 104 4.671 7.808 -5.506 1.00 44.23 C ATOM 1710 O ARG A 104 4.106 7.221 -6.433 1.00 74.32 O ATOM 1711 CB ARG A 104 6.813 9.037 -6.030 1.00 72.21 C ATOM 1712 CG ARG A 104 7.490 10.330 -6.489 1.00 10.44 C ATOM 1713 CD ARG A 104 7.166 10.672 -7.947 1.00 62.53 C ATOM 1714 NE ARG A 104 5.753 10.993 -8.159 1.00 31.15 N ATOM 1715 CZ ARG A 104 5.150 10.922 -9.316 1.00 54.43 C ATOM 1716 NH1 ARG A 104 5.772 10.503 -10.371 1.00 64.32 N ATOM 1717 NH2 ARG A 104 3.912 11.262 -9.412 1.00 32.24 N ATOM 0 H ARG A 104 6.016 10.376 -4.118 1.00 33.35 H new ATOM 0 HA ARG A 104 4.819 9.670 -6.557 1.00 21.25 H new ATOM 0 HB2 ARG A 104 7.325 8.667 -5.142 1.00 72.21 H new ATOM 0 HB3 ARG A 104 6.934 8.281 -6.806 1.00 72.21 H new ATOM 0 HG2 ARG A 104 7.172 11.151 -5.847 1.00 10.44 H new ATOM 0 HG3 ARG A 104 8.569 10.233 -6.372 1.00 10.44 H new ATOM 0 HD2 ARG A 104 7.776 11.519 -8.260 1.00 62.53 H new ATOM 0 HD3 ARG A 104 7.441 9.830 -8.582 1.00 62.53 H new ATOM 0 HE ARG A 104 5.205 11.291 -7.352 1.00 31.15 H new ATOM 0 HH11 ARG A 104 6.750 10.221 -10.308 1.00 64.32 H new ATOM 0 HH12 ARG A 104 5.284 10.455 -11.265 1.00 64.32 H new ATOM 0 HH21 ARG A 104 3.406 11.585 -8.587 1.00 32.24 H new ATOM 0 HH22 ARG A 104 3.437 11.208 -10.313 1.00 32.24 H new ATOM 1731 N VAL A 105 4.757 7.296 -4.280 1.00 4.32 N ATOM 1732 CA VAL A 105 4.105 6.036 -3.914 1.00 64.40 C ATOM 1733 C VAL A 105 2.573 6.186 -3.892 1.00 14.01 C ATOM 1734 O VAL A 105 1.840 5.269 -4.275 1.00 2.11 O ATOM 1735 CB VAL A 105 4.607 5.534 -2.535 1.00 11.35 C ATOM 1736 CG1 VAL A 105 3.808 4.327 -2.051 1.00 64.25 C ATOM 1737 CG2 VAL A 105 6.096 5.198 -2.604 1.00 4.11 C ATOM 0 H VAL A 105 5.274 7.735 -3.518 1.00 4.32 H new ATOM 0 HA VAL A 105 4.368 5.300 -4.673 1.00 64.40 H new ATOM 0 HB VAL A 105 4.458 6.337 -1.813 1.00 11.35 H new ATOM 0 HG11 VAL A 105 4.188 4.004 -1.082 1.00 64.25 H new ATOM 0 HG12 VAL A 105 2.757 4.601 -1.955 1.00 64.25 H new ATOM 0 HG13 VAL A 105 3.907 3.513 -2.770 1.00 64.25 H new ATOM 0 HG21 VAL A 105 6.435 4.847 -1.629 1.00 4.11 H new ATOM 0 HG22 VAL A 105 6.259 4.418 -3.348 1.00 4.11 H new ATOM 0 HG23 VAL A 105 6.657 6.089 -2.884 1.00 4.11 H new ATOM 1747 N GLU A 106 2.090 7.348 -3.457 1.00 72.30 N ATOM 1748 CA GLU A 106 0.652 7.623 -3.436 1.00 23.44 C ATOM 1749 C GLU A 106 0.093 7.800 -4.853 1.00 62.22 C ATOM 1750 O GLU A 106 -0.982 7.299 -5.157 1.00 43.53 O ATOM 1751 CB GLU A 106 0.335 8.858 -2.584 1.00 64.30 C ATOM 1752 CG GLU A 106 0.660 8.686 -1.104 1.00 64.23 C ATOM 1753 CD GLU A 106 0.042 9.775 -0.242 1.00 42.00 C ATOM 1754 OE1 GLU A 106 -1.189 9.738 -0.032 1.00 3.22 O ATOM 1755 OE2 GLU A 106 0.773 10.669 0.238 1.00 5.25 O ATOM 0 H GLU A 106 2.670 8.114 -3.115 1.00 72.30 H new ATOM 0 HA GLU A 106 0.167 6.758 -2.984 1.00 23.44 H new ATOM 0 HB2 GLU A 106 0.894 9.709 -2.973 1.00 64.30 H new ATOM 0 HB3 GLU A 106 -0.723 9.098 -2.688 1.00 64.30 H new ATOM 0 HG2 GLU A 106 0.301 7.713 -0.767 1.00 64.23 H new ATOM 0 HG3 GLU A 106 1.742 8.691 -0.970 1.00 64.23 H new ATOM 1762 N ASP A 107 0.824 8.503 -5.722 1.00 42.20 N ATOM 1763 CA ASP A 107 0.426 8.637 -7.129 1.00 43.01 C ATOM 1764 C ASP A 107 0.304 7.255 -7.794 1.00 2.42 C ATOM 1765 O ASP A 107 -0.527 7.040 -8.678 1.00 32.54 O ATOM 1766 CB ASP A 107 1.433 9.505 -7.896 1.00 11.22 C ATOM 1767 CG ASP A 107 1.484 10.936 -7.384 1.00 34.53 C ATOM 1768 OD1 ASP A 107 0.428 11.601 -7.353 1.00 1.15 O ATOM 1769 OD2 ASP A 107 2.586 11.418 -7.040 1.00 10.12 O ATOM 0 H ASP A 107 1.689 8.986 -5.480 1.00 42.20 H new ATOM 0 HA ASP A 107 -0.549 9.124 -7.159 1.00 43.01 H new ATOM 0 HB2 ASP A 107 2.425 9.060 -7.817 1.00 11.22 H new ATOM 0 HB3 ASP A 107 1.170 9.511 -8.954 1.00 11.22 H new ATOM 1774 N SER A 108 1.143 6.323 -7.354 1.00 54.34 N ATOM 1775 CA SER A 108 1.072 4.927 -7.804 1.00 61.25 C ATOM 1776 C SER A 108 -0.138 4.191 -7.207 1.00 5.55 C ATOM 1777 O SER A 108 -0.811 3.429 -7.889 1.00 62.32 O ATOM 1778 CB SER A 108 2.361 4.184 -7.423 1.00 52.15 C ATOM 1779 OG SER A 108 2.158 2.777 -7.358 1.00 13.35 O ATOM 0 H SER A 108 1.887 6.506 -6.681 1.00 54.34 H new ATOM 0 HA SER A 108 0.957 4.941 -8.888 1.00 61.25 H new ATOM 0 HB2 SER A 108 3.139 4.406 -8.154 1.00 52.15 H new ATOM 0 HB3 SER A 108 2.718 4.545 -6.458 1.00 52.15 H new ATOM 0 HG SER A 108 1.691 2.552 -6.527 1.00 13.35 H new ATOM 1785 N HIS A 109 -0.405 4.406 -5.922 1.00 51.34 N ATOM 1786 CA HIS A 109 -1.455 3.661 -5.220 1.00 3.14 C ATOM 1787 C HIS A 109 -2.852 4.298 -5.370 1.00 43.25 C ATOM 1788 O HIS A 109 -3.865 3.625 -5.189 1.00 44.12 O ATOM 1789 CB HIS A 109 -1.067 3.508 -3.750 1.00 52.10 C ATOM 1790 CG HIS A 109 0.248 2.799 -3.573 1.00 44.14 C ATOM 1791 ND1 HIS A 109 1.002 2.324 -4.633 1.00 54.04 N ATOM 1792 CD2 HIS A 109 0.950 2.486 -2.457 1.00 25.41 C ATOM 1793 CE1 HIS A 109 2.095 1.754 -4.178 1.00 34.45 C ATOM 1794 NE2 HIS A 109 2.094 1.837 -2.864 1.00 24.42 N ATOM 0 H HIS A 109 0.087 5.087 -5.344 1.00 51.34 H new ATOM 0 HA HIS A 109 -1.532 2.677 -5.683 1.00 3.14 H new ATOM 0 HB2 HIS A 109 -1.010 4.494 -3.288 1.00 52.10 H new ATOM 0 HB3 HIS A 109 -1.848 2.955 -3.227 1.00 52.10 H new ATOM 0 HD2 HIS A 109 0.665 2.705 -1.438 1.00 25.41 H new ATOM 0 HE1 HIS A 109 2.865 1.295 -4.781 1.00 34.45 H new ATOM 0 HE2 HIS A 109 2.823 1.478 -2.247 1.00 24.42 H new ATOM 1803 N GLN A 110 -2.903 5.586 -5.699 1.00 22.13 N ATOM 1804 CA GLN A 110 -4.182 6.295 -5.850 1.00 0.23 C ATOM 1805 C GLN A 110 -5.052 5.645 -6.938 1.00 72.41 C ATOM 1806 O GLN A 110 -6.275 5.567 -6.808 1.00 71.10 O ATOM 1807 CB GLN A 110 -3.947 7.777 -6.187 1.00 54.15 C ATOM 1808 CG GLN A 110 -3.326 8.011 -7.564 1.00 41.12 C ATOM 1809 CD GLN A 110 -3.086 9.479 -7.881 1.00 74.42 C ATOM 1810 OE1 GLN A 110 -2.765 10.270 -6.875 1.00 52.14 O flip ATOM 1811 NE2 GLN A 110 -3.161 9.897 -9.032 1.00 12.12 N flip ATOM 0 H GLN A 110 -2.079 6.164 -5.867 1.00 22.13 H new ATOM 0 HA GLN A 110 -4.709 6.227 -4.898 1.00 0.23 H new ATOM 0 HB2 GLN A 110 -4.898 8.306 -6.134 1.00 54.15 H new ATOM 0 HB3 GLN A 110 -3.297 8.213 -5.428 1.00 54.15 H new ATOM 0 HG2 GLN A 110 -2.378 7.476 -7.622 1.00 41.12 H new ATOM 0 HG3 GLN A 110 -3.980 7.585 -8.325 1.00 41.12 H new ATOM 0 HE21 GLN A 110 -3.411 9.262 -9.790 1.00 12.12 H new ATOM 0 HE22 GLN A 110 -2.973 10.880 -9.231 1.00 12.12 H new ATOM 1820 N ILE A 111 -4.407 5.169 -8.005 1.00 31.13 N ATOM 1821 CA ILE A 111 -5.112 4.499 -9.100 1.00 74.13 C ATOM 1822 C ILE A 111 -5.740 3.175 -8.639 1.00 72.03 C ATOM 1823 O ILE A 111 -6.721 2.718 -9.216 1.00 54.45 O ATOM 1824 CB ILE A 111 -4.177 4.250 -10.310 1.00 53.24 C ATOM 1825 CG1 ILE A 111 -2.980 3.377 -9.901 1.00 72.32 C ATOM 1826 CG2 ILE A 111 -3.705 5.582 -10.893 1.00 21.34 C ATOM 1827 CD1 ILE A 111 -1.964 3.160 -11.007 1.00 44.53 C ATOM 0 H ILE A 111 -3.397 5.235 -8.134 1.00 31.13 H new ATOM 0 HA ILE A 111 -5.912 5.168 -9.416 1.00 74.13 H new ATOM 0 HB ILE A 111 -4.735 3.715 -11.078 1.00 53.24 H new ATOM 0 HG12 ILE A 111 -2.481 3.840 -9.050 1.00 72.32 H new ATOM 0 HG13 ILE A 111 -3.349 2.408 -9.566 1.00 72.32 H new ATOM 0 HG21 ILE A 111 -3.048 5.395 -11.743 1.00 21.34 H new ATOM 0 HG22 ILE A 111 -4.568 6.161 -11.222 1.00 21.34 H new ATOM 0 HG23 ILE A 111 -3.162 6.141 -10.131 1.00 21.34 H new ATOM 0 HD11 ILE A 111 -1.152 2.534 -10.637 1.00 44.53 H new ATOM 0 HD12 ILE A 111 -2.445 2.668 -11.852 1.00 44.53 H new ATOM 0 HD13 ILE A 111 -1.564 4.122 -11.327 1.00 44.53 H new ATOM 1839 N LEU A 112 -5.178 2.572 -7.589 1.00 61.21 N ATOM 1840 CA LEU A 112 -5.768 1.371 -6.980 1.00 13.50 C ATOM 1841 C LEU A 112 -7.099 1.719 -6.302 1.00 32.20 C ATOM 1842 O LEU A 112 -8.070 0.973 -6.384 1.00 43.25 O ATOM 1843 CB LEU A 112 -4.807 0.760 -5.952 1.00 4.00 C ATOM 1844 CG LEU A 112 -3.414 0.398 -6.487 1.00 71.34 C ATOM 1845 CD1 LEU A 112 -2.547 -0.171 -5.371 1.00 15.30 C ATOM 1846 CD2 LEU A 112 -3.520 -0.588 -7.648 1.00 21.42 C ATOM 0 H LEU A 112 -4.319 2.892 -7.142 1.00 61.21 H new ATOM 0 HA LEU A 112 -5.949 0.641 -7.769 1.00 13.50 H new ATOM 0 HB2 LEU A 112 -4.689 1.463 -5.127 1.00 4.00 H new ATOM 0 HB3 LEU A 112 -5.265 -0.140 -5.541 1.00 4.00 H new ATOM 0 HG LEU A 112 -2.941 1.307 -6.859 1.00 71.34 H new ATOM 0 HD11 LEU A 112 -1.563 -0.422 -5.767 1.00 15.30 H new ATOM 0 HD12 LEU A 112 -2.441 0.570 -4.579 1.00 15.30 H new ATOM 0 HD13 LEU A 112 -3.016 -1.068 -4.968 1.00 15.30 H new ATOM 0 HD21 LEU A 112 -2.521 -0.831 -8.012 1.00 21.42 H new ATOM 0 HD22 LEU A 112 -4.014 -1.498 -7.308 1.00 21.42 H new ATOM 0 HD23 LEU A 112 -4.101 -0.140 -8.454 1.00 21.42 H new ATOM 1858 N SER A 113 -7.119 2.863 -5.619 1.00 70.32 N ATOM 1859 CA SER A 113 -8.355 3.413 -5.041 1.00 3.12 C ATOM 1860 C SER A 113 -9.384 3.703 -6.133 1.00 20.24 C ATOM 1861 O SER A 113 -10.582 3.484 -5.949 1.00 20.11 O ATOM 1862 CB SER A 113 -8.044 4.696 -4.252 1.00 72.12 C ATOM 1863 OG SER A 113 -9.224 5.390 -3.873 1.00 51.44 O ATOM 0 H SER A 113 -6.291 3.433 -5.449 1.00 70.32 H new ATOM 0 HA SER A 113 -8.776 2.671 -4.363 1.00 3.12 H new ATOM 0 HB2 SER A 113 -7.471 4.443 -3.360 1.00 72.12 H new ATOM 0 HB3 SER A 113 -7.418 5.351 -4.858 1.00 72.12 H new ATOM 0 HG SER A 113 -8.982 6.197 -3.373 1.00 51.44 H new ATOM 1869 N GLN A 114 -8.911 4.188 -7.279 1.00 0.32 N ATOM 1870 CA GLN A 114 -9.783 4.406 -8.436 1.00 3.35 C ATOM 1871 C GLN A 114 -10.385 3.077 -8.920 1.00 34.20 C ATOM 1872 O GLN A 114 -11.594 2.862 -8.829 1.00 74.33 O ATOM 1873 CB GLN A 114 -9.004 5.077 -9.579 1.00 4.32 C ATOM 1874 CG GLN A 114 -8.341 6.395 -9.190 1.00 40.30 C ATOM 1875 CD GLN A 114 -9.330 7.429 -8.680 1.00 42.12 C ATOM 1876 OE1 GLN A 114 -9.875 8.218 -9.445 1.00 3.45 O ATOM 1877 NE2 GLN A 114 -9.571 7.433 -7.386 1.00 24.31 N ATOM 0 H GLN A 114 -7.934 4.437 -7.433 1.00 0.32 H new ATOM 0 HA GLN A 114 -10.595 5.065 -8.129 1.00 3.35 H new ATOM 0 HB2 GLN A 114 -8.238 4.388 -9.936 1.00 4.32 H new ATOM 0 HB3 GLN A 114 -9.684 5.256 -10.412 1.00 4.32 H new ATOM 0 HG2 GLN A 114 -7.593 6.206 -8.421 1.00 40.30 H new ATOM 0 HG3 GLN A 114 -7.814 6.799 -10.054 1.00 40.30 H new ATOM 0 HE21 GLN A 114 -9.101 6.763 -6.778 1.00 24.31 H new ATOM 0 HE22 GLN A 114 -10.228 8.106 -6.992 1.00 24.31 H new ATOM 1886 N THR A 115 -9.518 2.178 -9.387 1.00 70.33 N ATOM 1887 CA THR A 115 -9.938 0.876 -9.931 1.00 75.41 C ATOM 1888 C THR A 115 -10.843 0.104 -8.959 1.00 63.12 C ATOM 1889 O THR A 115 -11.897 -0.398 -9.350 1.00 72.34 O ATOM 1890 CB THR A 115 -8.718 -0.013 -10.267 1.00 35.32 C ATOM 1891 OG1 THR A 115 -7.981 -0.304 -9.071 1.00 73.00 O ATOM 1892 CG2 THR A 115 -7.794 0.669 -11.272 1.00 40.43 C ATOM 0 H THR A 115 -8.509 2.326 -9.401 1.00 70.33 H new ATOM 0 HA THR A 115 -10.499 1.099 -10.839 1.00 75.41 H new ATOM 0 HB THR A 115 -9.091 -0.937 -10.710 1.00 35.32 H new ATOM 0 HG1 THR A 115 -8.216 -1.201 -8.752 1.00 73.00 H new ATOM 0 HG21 THR A 115 -6.946 0.018 -11.487 1.00 40.43 H new ATOM 0 HG22 THR A 115 -8.342 0.868 -12.193 1.00 40.43 H new ATOM 0 HG23 THR A 115 -7.433 1.609 -10.855 1.00 40.43 H new ATOM 1900 N SER A 116 -10.426 0.009 -7.694 1.00 34.55 N ATOM 1901 CA SER A 116 -11.204 -0.699 -6.662 1.00 11.33 C ATOM 1902 C SER A 116 -12.655 -0.202 -6.596 1.00 62.35 C ATOM 1903 O SER A 116 -13.572 -0.971 -6.301 1.00 31.01 O ATOM 1904 CB SER A 116 -10.545 -0.552 -5.283 1.00 23.44 C ATOM 1905 OG SER A 116 -9.270 -1.173 -5.252 1.00 15.15 O ATOM 0 H SER A 116 -9.553 0.413 -7.355 1.00 34.55 H new ATOM 0 HA SER A 116 -11.218 -1.752 -6.944 1.00 11.33 H new ATOM 0 HB2 SER A 116 -10.443 0.505 -5.037 1.00 23.44 H new ATOM 0 HB3 SER A 116 -11.187 -0.996 -4.522 1.00 23.44 H new ATOM 0 HG SER A 116 -8.607 -0.580 -5.663 1.00 15.15 H new ATOM 1911 N HIS A 117 -12.862 1.088 -6.853 1.00 40.42 N ATOM 1912 CA HIS A 117 -14.219 1.640 -6.928 1.00 34.20 C ATOM 1913 C HIS A 117 -14.847 1.444 -8.321 1.00 74.00 C ATOM 1914 O HIS A 117 -15.965 0.948 -8.426 1.00 25.23 O ATOM 1915 CB HIS A 117 -14.226 3.122 -6.533 1.00 2.54 C ATOM 1916 CG HIS A 117 -14.104 3.334 -5.055 1.00 10.31 C ATOM 1917 ND1 HIS A 117 -13.017 3.376 -4.247 1.00 64.33 N flip ATOM 1918 CD2 HIS A 117 -15.192 3.520 -4.231 1.00 12.50 C flip ATOM 1919 CE1 HIS A 117 -13.473 3.587 -2.970 1.00 35.11 C flip ATOM 1920 NE2 HIS A 117 -14.783 3.671 -2.989 1.00 23.13 N flip ATOM 0 H HIS A 117 -12.118 1.767 -7.012 1.00 40.42 H new ATOM 0 HA HIS A 117 -14.832 1.087 -6.216 1.00 34.20 H new ATOM 0 HB2 HIS A 117 -13.404 3.631 -7.037 1.00 2.54 H new ATOM 0 HB3 HIS A 117 -15.149 3.582 -6.886 1.00 2.54 H new ATOM 0 HD1 HIS A 117 -12.044 3.271 -4.534 1.00 64.33 H new ATOM 0 HD2 HIS A 117 -16.222 3.539 -4.554 1.00 12.50 H new ATOM 0 HE1 HIS A 117 -12.853 3.671 -2.090 1.00 35.11 H new ATOM 1929 N ASP A 118 -14.125 1.801 -9.385 1.00 51.20 N ATOM 1930 CA ASP A 118 -14.655 1.694 -10.759 1.00 44.12 C ATOM 1931 C ASP A 118 -15.155 0.270 -11.080 1.00 30.54 C ATOM 1932 O ASP A 118 -16.217 0.095 -11.687 1.00 53.12 O ATOM 1933 CB ASP A 118 -13.594 2.126 -11.784 1.00 72.34 C ATOM 1934 CG ASP A 118 -13.333 3.624 -11.755 1.00 43.05 C ATOM 1935 OD1 ASP A 118 -14.237 4.395 -12.144 1.00 44.12 O ATOM 1936 OD2 ASP A 118 -12.230 4.041 -11.349 1.00 3.34 O ATOM 0 H ASP A 118 -13.174 2.166 -9.329 1.00 51.20 H new ATOM 0 HA ASP A 118 -15.511 2.366 -10.825 1.00 44.12 H new ATOM 0 HB2 ASP A 118 -12.663 1.594 -11.585 1.00 72.34 H new ATOM 0 HB3 ASP A 118 -13.919 1.836 -12.783 1.00 72.34 H new ATOM 1941 N LEU A 119 -14.398 -0.742 -10.660 1.00 43.00 N ATOM 1942 CA LEU A 119 -14.797 -2.145 -10.851 1.00 34.51 C ATOM 1943 C LEU A 119 -16.059 -2.476 -10.035 1.00 51.05 C ATOM 1944 O LEU A 119 -16.862 -3.327 -10.421 1.00 35.44 O ATOM 1945 CB LEU A 119 -13.649 -3.082 -10.450 1.00 72.13 C ATOM 1946 CG LEU A 119 -12.323 -2.856 -11.199 1.00 3.25 C ATOM 1947 CD1 LEU A 119 -11.253 -3.829 -10.710 1.00 64.12 C ATOM 1948 CD2 LEU A 119 -12.518 -2.979 -12.710 1.00 43.23 C ATOM 0 H LEU A 119 -13.504 -0.622 -10.184 1.00 43.00 H new ATOM 0 HA LEU A 119 -15.025 -2.292 -11.907 1.00 34.51 H new ATOM 0 HB2 LEU A 119 -13.467 -2.970 -9.381 1.00 72.13 H new ATOM 0 HB3 LEU A 119 -13.968 -4.111 -10.613 1.00 72.13 H new ATOM 0 HG LEU A 119 -11.985 -1.842 -10.986 1.00 3.25 H new ATOM 0 HD11 LEU A 119 -10.324 -3.652 -11.253 1.00 64.12 H new ATOM 0 HD12 LEU A 119 -11.084 -3.679 -9.644 1.00 64.12 H new ATOM 0 HD13 LEU A 119 -11.585 -4.853 -10.884 1.00 64.12 H new ATOM 0 HD21 LEU A 119 -11.566 -2.815 -13.214 1.00 43.23 H new ATOM 0 HD22 LEU A 119 -12.888 -3.976 -12.949 1.00 43.23 H new ATOM 0 HD23 LEU A 119 -13.239 -2.234 -13.046 1.00 43.23 H new ATOM 1960 N ASN A 120 -16.234 -1.773 -8.917 1.00 51.02 N ATOM 1961 CA ASN A 120 -17.383 -1.978 -8.031 1.00 0.02 C ATOM 1962 C ASN A 120 -18.615 -1.243 -8.581 1.00 31.11 C ATOM 1963 O ASN A 120 -19.753 -1.685 -8.426 1.00 21.34 O ATOM 1964 CB ASN A 120 -17.033 -1.467 -6.627 1.00 75.22 C ATOM 1965 CG ASN A 120 -18.158 -1.640 -5.626 1.00 23.03 C ATOM 1966 OD1 ASN A 120 -18.915 -2.602 -5.674 1.00 60.41 O ATOM 1967 ND2 ASN A 120 -18.281 -0.700 -4.715 1.00 12.14 N ATOM 0 H ASN A 120 -15.589 -1.049 -8.600 1.00 51.02 H new ATOM 0 HA ASN A 120 -17.618 -3.041 -7.978 1.00 0.02 H new ATOM 0 HB2 ASN A 120 -16.151 -1.995 -6.266 1.00 75.22 H new ATOM 0 HB3 ASN A 120 -16.770 -0.411 -6.688 1.00 75.22 H new ATOM 0 HD21 ASN A 120 -19.024 -0.758 -4.019 1.00 12.14 H new ATOM 0 HD22 ASN A 120 -17.633 0.088 -4.704 1.00 12.14 H new ATOM 1974 N GLU A 121 -18.359 -0.119 -9.236 1.00 31.04 N ATOM 1975 CA GLU A 121 -19.400 0.695 -9.862 1.00 73.32 C ATOM 1976 C GLU A 121 -20.009 -0.010 -11.082 1.00 60.30 C ATOM 1977 O GLU A 121 -21.194 0.144 -11.376 1.00 24.12 O ATOM 1978 CB GLU A 121 -18.795 2.040 -10.274 1.00 15.32 C ATOM 1979 CG GLU A 121 -18.227 2.832 -9.100 1.00 71.15 C ATOM 1980 CD GLU A 121 -19.305 3.515 -8.276 1.00 30.02 C ATOM 1981 OE1 GLU A 121 -19.840 4.545 -8.734 1.00 25.12 O ATOM 1982 OE2 GLU A 121 -19.638 3.013 -7.179 1.00 13.31 O ATOM 0 H GLU A 121 -17.418 0.259 -9.351 1.00 31.04 H new ATOM 0 HA GLU A 121 -20.204 0.851 -9.143 1.00 73.32 H new ATOM 0 HB2 GLU A 121 -18.003 1.866 -11.003 1.00 15.32 H new ATOM 0 HB3 GLU A 121 -19.560 2.638 -10.770 1.00 15.32 H new ATOM 0 HG2 GLU A 121 -17.655 2.162 -8.458 1.00 71.15 H new ATOM 0 HG3 GLU A 121 -17.533 3.583 -9.476 1.00 71.15 H new ATOM 1989 N CYS A 122 -19.184 -0.774 -11.798 1.00 62.02 N ATOM 1990 CA CYS A 122 -19.662 -1.582 -12.929 1.00 31.54 C ATOM 1991 C CYS A 122 -20.124 -2.973 -12.464 1.00 51.34 C ATOM 1992 O CYS A 122 -20.403 -3.852 -13.281 1.00 41.12 O ATOM 1993 CB CYS A 122 -18.562 -1.719 -13.989 1.00 51.52 C ATOM 1994 SG CYS A 122 -17.020 -2.441 -13.375 1.00 63.12 S ATOM 0 H CYS A 122 -18.183 -0.853 -11.619 1.00 62.02 H new ATOM 0 HA CYS A 122 -20.518 -1.070 -13.368 1.00 31.54 H new ATOM 0 HB2 CYS A 122 -18.937 -2.334 -14.807 1.00 51.52 H new ATOM 0 HB3 CYS A 122 -18.348 -0.734 -14.403 1.00 51.52 H new ATOM 0 HG CYS A 122 -17.209 -2.917 -12.180 1.00 63.12 H new ATOM 2000 N SER A 123 -20.194 -3.158 -11.142 1.00 73.55 N ATOM 2001 CA SER A 123 -20.702 -4.403 -10.534 1.00 62.43 C ATOM 2002 C SER A 123 -19.902 -5.644 -10.968 1.00 40.05 C ATOM 2003 O SER A 123 -20.431 -6.758 -10.965 1.00 74.41 O ATOM 2004 CB SER A 123 -22.192 -4.595 -10.873 1.00 21.03 C ATOM 2005 OG SER A 123 -22.983 -3.531 -10.357 1.00 31.13 O ATOM 0 H SER A 123 -19.903 -2.456 -10.462 1.00 73.55 H new ATOM 0 HA SER A 123 -20.580 -4.300 -9.456 1.00 62.43 H new ATOM 0 HB2 SER A 123 -22.316 -4.651 -11.954 1.00 21.03 H new ATOM 0 HB3 SER A 123 -22.541 -5.542 -10.462 1.00 21.03 H new ATOM 0 HG SER A 123 -23.923 -3.680 -10.590 1.00 31.13 H new ATOM 2011 N TRP A 124 -18.624 -5.450 -11.317 1.00 73.14 N ATOM 2012 CA TRP A 124 -17.746 -6.552 -11.750 1.00 73.21 C ATOM 2013 C TRP A 124 -18.374 -7.373 -12.892 1.00 23.24 C ATOM 2014 O TRP A 124 -18.298 -8.604 -12.912 1.00 23.42 O ATOM 2015 CB TRP A 124 -17.403 -7.458 -10.551 1.00 62.13 C ATOM 2016 CG TRP A 124 -16.478 -6.806 -9.561 1.00 73.34 C ATOM 2017 CD1 TRP A 124 -16.808 -5.907 -8.586 1.00 21.32 C ATOM 2018 CD2 TRP A 124 -15.063 -7.008 -9.458 1.00 21.51 C ATOM 2019 NE1 TRP A 124 -15.683 -5.536 -7.886 1.00 43.53 N ATOM 2020 CE2 TRP A 124 -14.601 -6.198 -8.402 1.00 14.32 C ATOM 2021 CE3 TRP A 124 -14.143 -7.797 -10.155 1.00 40.22 C ATOM 2022 CZ2 TRP A 124 -13.258 -6.152 -8.033 1.00 55.13 C ATOM 2023 CZ3 TRP A 124 -12.813 -7.752 -9.786 1.00 64.44 C ATOM 2024 CH2 TRP A 124 -12.381 -6.934 -8.734 1.00 40.21 C ATOM 0 H TRP A 124 -18.170 -4.536 -11.309 1.00 73.14 H new ATOM 0 HA TRP A 124 -16.827 -6.113 -12.139 1.00 73.21 H new ATOM 0 HB2 TRP A 124 -18.325 -7.743 -10.044 1.00 62.13 H new ATOM 0 HB3 TRP A 124 -16.944 -8.376 -10.917 1.00 62.13 H new ATOM 0 HD1 TRP A 124 -17.806 -5.541 -8.393 1.00 21.32 H new ATOM 0 HE1 TRP A 124 -15.659 -4.875 -7.109 1.00 43.53 H new ATOM 0 HE3 TRP A 124 -14.467 -8.430 -10.968 1.00 40.22 H new ATOM 0 HZ2 TRP A 124 -12.922 -5.522 -7.223 1.00 55.13 H new ATOM 0 HZ3 TRP A 124 -12.094 -8.358 -10.317 1.00 64.44 H new ATOM 0 HH2 TRP A 124 -11.334 -6.920 -8.471 1.00 40.21 H new ATOM 2035 N SER A 125 -18.975 -6.673 -13.850 1.00 43.40 N ATOM 2036 CA SER A 125 -19.654 -7.319 -14.983 1.00 64.53 C ATOM 2037 C SER A 125 -18.687 -8.114 -15.877 1.00 75.24 C ATOM 2038 O SER A 125 -17.745 -7.557 -16.451 1.00 72.41 O ATOM 2039 CB SER A 125 -20.384 -6.276 -15.838 1.00 10.34 C ATOM 2040 OG SER A 125 -21.015 -6.880 -16.957 1.00 54.35 O ATOM 0 H SER A 125 -19.009 -5.654 -13.869 1.00 43.40 H new ATOM 0 HA SER A 125 -20.369 -8.021 -14.554 1.00 64.53 H new ATOM 0 HB2 SER A 125 -21.129 -5.761 -15.231 1.00 10.34 H new ATOM 0 HB3 SER A 125 -19.675 -5.522 -16.180 1.00 10.34 H new ATOM 0 HG SER A 125 -21.474 -6.193 -17.484 1.00 54.35 H new ATOM 2046 N LEU A 126 -18.946 -9.418 -16.012 1.00 1.22 N ATOM 2047 CA LEU A 126 -18.152 -10.289 -16.891 1.00 70.30 C ATOM 2048 C LEU A 126 -18.231 -9.825 -18.356 1.00 23.34 C ATOM 2049 O LEU A 126 -17.352 -10.129 -19.164 1.00 0.13 O ATOM 2050 CB LEU A 126 -18.634 -11.750 -16.784 1.00 33.10 C ATOM 2051 CG LEU A 126 -18.223 -12.521 -15.507 1.00 3.42 C ATOM 2052 CD1 LEU A 126 -16.707 -12.708 -15.439 1.00 53.53 C ATOM 2053 CD2 LEU A 126 -18.741 -11.827 -14.247 1.00 0.12 C ATOM 0 H LEU A 126 -19.702 -9.897 -15.523 1.00 1.22 H new ATOM 0 HA LEU A 126 -17.114 -10.228 -16.564 1.00 70.30 H new ATOM 0 HB2 LEU A 126 -19.722 -11.756 -16.851 1.00 33.10 H new ATOM 0 HB3 LEU A 126 -18.259 -12.297 -17.649 1.00 33.10 H new ATOM 0 HG LEU A 126 -18.683 -13.508 -15.558 1.00 3.42 H new ATOM 0 HD11 LEU A 126 -16.448 -13.253 -14.531 1.00 53.53 H new ATOM 0 HD12 LEU A 126 -16.371 -13.272 -16.309 1.00 53.53 H new ATOM 0 HD13 LEU A 126 -16.220 -11.733 -15.428 1.00 53.53 H new ATOM 0 HD21 LEU A 126 -18.435 -12.394 -13.368 1.00 0.12 H new ATOM 0 HD22 LEU A 126 -18.329 -10.820 -14.191 1.00 0.12 H new ATOM 0 HD23 LEU A 126 -19.829 -11.772 -14.283 1.00 0.12 H new ATOM 2065 N ASN A 127 -19.285 -9.075 -18.678 1.00 73.54 N ATOM 2066 CA ASN A 127 -19.512 -8.574 -20.041 1.00 52.42 C ATOM 2067 C ASN A 127 -18.466 -7.525 -20.451 1.00 11.41 C ATOM 2068 O ASN A 127 -18.176 -7.358 -21.633 1.00 41.34 O ATOM 2069 CB ASN A 127 -20.911 -7.965 -20.151 1.00 63.21 C ATOM 2070 CG ASN A 127 -22.002 -8.951 -19.783 1.00 62.34 C ATOM 2071 OD1 ASN A 127 -22.506 -9.679 -20.628 1.00 10.24 O ATOM 2072 ND2 ASN A 127 -22.384 -8.973 -18.522 1.00 63.44 N ATOM 0 H ASN A 127 -20.003 -8.797 -18.009 1.00 73.54 H new ATOM 0 HA ASN A 127 -19.421 -9.424 -20.717 1.00 52.42 H new ATOM 0 HB2 ASN A 127 -20.977 -7.094 -19.499 1.00 63.21 H new ATOM 0 HB3 ASN A 127 -21.072 -7.613 -21.170 1.00 63.21 H new ATOM 0 HD21 ASN A 127 -23.122 -9.611 -18.224 1.00 63.44 H new ATOM 0 HD22 ASN A 127 -21.942 -8.352 -17.844 1.00 63.44 H new ATOM 2079 N ILE A 128 -17.925 -6.802 -19.471 1.00 20.14 N ATOM 2080 CA ILE A 128 -16.893 -5.788 -19.735 1.00 21.51 C ATOM 2081 C ILE A 128 -15.486 -6.337 -19.449 1.00 23.13 C ATOM 2082 O ILE A 128 -14.544 -6.081 -20.200 1.00 1.14 O ATOM 2083 CB ILE A 128 -17.118 -4.496 -18.890 1.00 52.42 C ATOM 2084 CG1 ILE A 128 -18.383 -3.736 -19.347 1.00 21.43 C ATOM 2085 CG2 ILE A 128 -15.895 -3.577 -18.963 1.00 64.41 C ATOM 2086 CD1 ILE A 128 -19.689 -4.438 -19.032 1.00 3.40 C ATOM 0 H ILE A 128 -18.180 -6.896 -18.488 1.00 20.14 H new ATOM 0 HA ILE A 128 -16.974 -5.533 -20.792 1.00 21.51 H new ATOM 0 HB ILE A 128 -17.263 -4.805 -17.855 1.00 52.42 H new ATOM 0 HG12 ILE A 128 -18.391 -2.753 -18.875 1.00 21.43 H new ATOM 0 HG13 ILE A 128 -18.324 -3.573 -20.423 1.00 21.43 H new ATOM 0 HG21 ILE A 128 -16.076 -2.683 -18.366 1.00 64.41 H new ATOM 0 HG22 ILE A 128 -15.022 -4.102 -18.575 1.00 64.41 H new ATOM 0 HG23 ILE A 128 -15.716 -3.291 -20.000 1.00 64.41 H new ATOM 0 HD11 ILE A 128 -20.523 -3.833 -19.388 1.00 3.40 H new ATOM 0 HD12 ILE A 128 -19.708 -5.409 -19.526 1.00 3.40 H new ATOM 0 HD13 ILE A 128 -19.776 -4.577 -17.954 1.00 3.40 H new ATOM 2098 N LEU A 129 -15.356 -7.091 -18.358 1.00 30.20 N ATOM 2099 CA LEU A 129 -14.051 -7.595 -17.911 1.00 22.00 C ATOM 2100 C LEU A 129 -13.557 -8.790 -18.753 1.00 0.15 C ATOM 2101 O LEU A 129 -12.507 -8.713 -19.392 1.00 24.45 O ATOM 2102 CB LEU A 129 -14.133 -7.995 -16.431 1.00 10.20 C ATOM 2103 CG LEU A 129 -14.533 -6.869 -15.459 1.00 51.42 C ATOM 2104 CD1 LEU A 129 -14.615 -7.395 -14.028 1.00 53.13 C ATOM 2105 CD2 LEU A 129 -13.554 -5.699 -15.549 1.00 4.22 C ATOM 0 H LEU A 129 -16.138 -7.368 -17.764 1.00 30.20 H new ATOM 0 HA LEU A 129 -13.328 -6.790 -18.044 1.00 22.00 H new ATOM 0 HB2 LEU A 129 -14.852 -8.808 -16.332 1.00 10.20 H new ATOM 0 HB3 LEU A 129 -13.163 -8.388 -16.125 1.00 10.20 H new ATOM 0 HG LEU A 129 -15.520 -6.508 -15.747 1.00 51.42 H new ATOM 0 HD11 LEU A 129 -14.899 -6.584 -13.358 1.00 53.13 H new ATOM 0 HD12 LEU A 129 -15.361 -8.188 -13.974 1.00 53.13 H new ATOM 0 HD13 LEU A 129 -13.644 -7.789 -13.729 1.00 53.13 H new ATOM 0 HD21 LEU A 129 -13.857 -4.916 -14.854 1.00 4.22 H new ATOM 0 HD22 LEU A 129 -12.552 -6.043 -15.294 1.00 4.22 H new ATOM 0 HD23 LEU A 129 -13.554 -5.302 -16.564 1.00 4.22 H new ATOM 2117 N ALA A 130 -14.315 -9.890 -18.748 1.00 33.05 N ATOM 2118 CA ALA A 130 -13.914 -11.112 -19.463 1.00 60.31 C ATOM 2119 C ALA A 130 -14.244 -11.023 -20.961 1.00 24.14 C ATOM 2120 O ALA A 130 -13.395 -11.278 -21.819 1.00 3.34 O ATOM 2121 CB ALA A 130 -14.590 -12.332 -18.844 1.00 54.40 C ATOM 0 H ALA A 130 -15.207 -9.963 -18.259 1.00 33.05 H new ATOM 0 HA ALA A 130 -12.833 -11.215 -19.366 1.00 60.31 H new ATOM 0 HB1 ALA A 130 -14.285 -13.229 -19.382 1.00 54.40 H new ATOM 0 HB2 ALA A 130 -14.296 -12.419 -17.798 1.00 54.40 H new ATOM 0 HB3 ALA A 130 -15.672 -12.220 -18.909 1.00 54.40 H new ATOM 2272 N ASP A 140 -8.699 -1.370 -16.154 1.00 12.12 N ATOM 2273 CA ASP A 140 -8.497 -1.048 -14.733 1.00 53.42 C ATOM 2274 C ASP A 140 -8.254 -2.298 -13.867 1.00 13.23 C ATOM 2275 O ASP A 140 -7.501 -2.249 -12.894 1.00 73.33 O ATOM 2276 CB ASP A 140 -9.691 -0.251 -14.200 1.00 75.42 C ATOM 2277 CG ASP A 140 -9.713 1.164 -14.754 1.00 62.25 C ATOM 2278 OD1 ASP A 140 -10.229 1.364 -15.870 1.00 5.11 O ATOM 2279 OD2 ASP A 140 -9.186 2.078 -14.080 1.00 10.44 O ATOM 0 HA ASP A 140 -7.594 -0.441 -14.667 1.00 53.42 H new ATOM 0 HB2 ASP A 140 -10.617 -0.761 -14.466 1.00 75.42 H new ATOM 0 HB3 ASP A 140 -9.648 -0.215 -13.111 1.00 75.42 H new ATOM 2284 N LEU A 141 -8.884 -3.413 -14.222 1.00 71.30 N ATOM 2285 CA LEU A 141 -8.663 -4.676 -13.511 1.00 33.12 C ATOM 2286 C LEU A 141 -7.192 -5.122 -13.624 1.00 40.41 C ATOM 2287 O LEU A 141 -6.533 -5.389 -12.618 1.00 50.12 O ATOM 2288 CB LEU A 141 -9.598 -5.761 -14.063 1.00 10.31 C ATOM 2289 CG LEU A 141 -9.514 -7.128 -13.358 1.00 24.54 C ATOM 2290 CD1 LEU A 141 -9.787 -6.988 -11.862 1.00 14.42 C ATOM 2291 CD2 LEU A 141 -10.487 -8.117 -13.991 1.00 63.41 C ATOM 0 H LEU A 141 -9.549 -3.472 -14.993 1.00 71.30 H new ATOM 0 HA LEU A 141 -8.887 -4.521 -12.456 1.00 33.12 H new ATOM 0 HB2 LEU A 141 -10.624 -5.400 -13.997 1.00 10.31 H new ATOM 0 HB3 LEU A 141 -9.377 -5.903 -15.121 1.00 10.31 H new ATOM 0 HG LEU A 141 -8.502 -7.512 -13.482 1.00 24.54 H new ATOM 0 HD11 LEU A 141 -9.722 -7.967 -11.387 1.00 14.42 H new ATOM 0 HD12 LEU A 141 -9.049 -6.320 -11.418 1.00 14.42 H new ATOM 0 HD13 LEU A 141 -10.785 -6.577 -11.711 1.00 14.42 H new ATOM 0 HD21 LEU A 141 -10.414 -9.077 -13.480 1.00 63.41 H new ATOM 0 HD22 LEU A 141 -11.504 -7.735 -13.901 1.00 63.41 H new ATOM 0 HD23 LEU A 141 -10.240 -8.247 -15.045 1.00 63.41 H new ATOM 2303 N ASP A 142 -6.681 -5.179 -14.853 1.00 40.13 N ATOM 2304 CA ASP A 142 -5.278 -5.532 -15.098 1.00 52.44 C ATOM 2305 C ASP A 142 -4.332 -4.473 -14.499 1.00 51.14 C ATOM 2306 O ASP A 142 -3.252 -4.795 -13.991 1.00 12.23 O ATOM 2307 CB ASP A 142 -5.039 -5.675 -16.606 1.00 64.24 C ATOM 2308 CG ASP A 142 -3.633 -6.144 -16.932 1.00 51.21 C ATOM 2309 OD1 ASP A 142 -3.369 -7.358 -16.823 1.00 12.14 O ATOM 2310 OD2 ASP A 142 -2.786 -5.303 -17.298 1.00 3.12 O ATOM 0 H ASP A 142 -7.217 -4.985 -15.699 1.00 40.13 H new ATOM 0 HA ASP A 142 -5.065 -6.483 -14.610 1.00 52.44 H new ATOM 0 HB2 ASP A 142 -5.759 -6.382 -17.019 1.00 64.24 H new ATOM 0 HB3 ASP A 142 -5.220 -4.716 -17.091 1.00 64.24 H new ATOM 2315 N ARG A 143 -4.763 -3.209 -14.558 1.00 10.51 N ATOM 2316 CA ARG A 143 -4.033 -2.089 -13.948 1.00 22.13 C ATOM 2317 C ARG A 143 -3.813 -2.318 -12.446 1.00 73.22 C ATOM 2318 O ARG A 143 -2.698 -2.169 -11.940 1.00 24.11 O ATOM 2319 CB ARG A 143 -4.802 -0.774 -14.173 1.00 40.40 C ATOM 2320 CG ARG A 143 -4.306 0.399 -13.325 1.00 1.44 C ATOM 2321 CD ARG A 143 -5.114 1.673 -13.575 1.00 34.24 C ATOM 2322 NE ARG A 143 -4.819 2.269 -14.876 1.00 71.10 N ATOM 2323 CZ ARG A 143 -5.699 2.855 -15.643 1.00 74.32 C ATOM 2324 NH1 ARG A 143 -6.956 2.859 -15.334 1.00 33.03 N ATOM 2325 NH2 ARG A 143 -5.314 3.421 -16.738 1.00 44.11 N ATOM 0 H ARG A 143 -5.625 -2.932 -15.028 1.00 10.51 H new ATOM 0 HA ARG A 143 -3.056 -2.023 -14.426 1.00 22.13 H new ATOM 0 HB2 ARG A 143 -4.731 -0.501 -15.226 1.00 40.40 H new ATOM 0 HB3 ARG A 143 -5.857 -0.942 -13.957 1.00 40.40 H new ATOM 0 HG2 ARG A 143 -4.366 0.134 -12.270 1.00 1.44 H new ATOM 0 HG3 ARG A 143 -3.256 0.587 -13.547 1.00 1.44 H new ATOM 0 HD2 ARG A 143 -6.178 1.444 -13.516 1.00 34.24 H new ATOM 0 HD3 ARG A 143 -4.900 2.397 -12.789 1.00 34.24 H new ATOM 0 HE ARG A 143 -3.856 2.224 -15.209 1.00 71.10 H new ATOM 0 HH11 ARG A 143 -7.273 2.400 -14.480 1.00 33.03 H new ATOM 0 HH12 ARG A 143 -7.630 3.321 -15.944 1.00 33.03 H new ATOM 0 HH21 ARG A 143 -4.328 3.409 -16.999 1.00 44.11 H new ATOM 0 HH22 ARG A 143 -5.996 3.880 -17.342 1.00 44.11 H new ATOM 2339 N PHE A 144 -4.880 -2.686 -11.738 1.00 13.32 N ATOM 2340 CA PHE A 144 -4.796 -2.948 -10.299 1.00 32.24 C ATOM 2341 C PHE A 144 -3.732 -4.012 -9.991 1.00 54.12 C ATOM 2342 O PHE A 144 -2.930 -3.848 -9.078 1.00 55.42 O ATOM 2343 CB PHE A 144 -6.160 -3.393 -9.748 1.00 63.43 C ATOM 2344 CG PHE A 144 -6.164 -3.613 -8.252 1.00 50.40 C ATOM 2345 CD1 PHE A 144 -6.400 -2.558 -7.382 1.00 15.44 C ATOM 2346 CD2 PHE A 144 -5.922 -4.873 -7.716 1.00 41.11 C ATOM 2347 CE1 PHE A 144 -6.393 -2.755 -6.013 1.00 30.02 C ATOM 2348 CE2 PHE A 144 -5.913 -5.071 -6.349 1.00 33.15 C ATOM 2349 CZ PHE A 144 -6.148 -4.013 -5.497 1.00 55.33 C ATOM 0 H PHE A 144 -5.811 -2.810 -12.135 1.00 13.32 H new ATOM 0 HA PHE A 144 -4.504 -2.019 -9.810 1.00 32.24 H new ATOM 0 HB2 PHE A 144 -6.907 -2.640 -9.998 1.00 63.43 H new ATOM 0 HB3 PHE A 144 -6.459 -4.316 -10.244 1.00 63.43 H new ATOM 0 HD1 PHE A 144 -6.591 -1.572 -7.778 1.00 15.44 H new ATOM 0 HD2 PHE A 144 -5.739 -5.707 -8.377 1.00 41.11 H new ATOM 0 HE1 PHE A 144 -6.579 -1.925 -5.347 1.00 30.02 H new ATOM 0 HE2 PHE A 144 -5.722 -6.055 -5.947 1.00 33.15 H new ATOM 0 HZ PHE A 144 -6.141 -4.167 -4.428 1.00 55.33 H new ATOM 2359 N VAL A 145 -3.721 -5.088 -10.774 1.00 44.32 N ATOM 2360 CA VAL A 145 -2.788 -6.201 -10.558 1.00 25.12 C ATOM 2361 C VAL A 145 -1.320 -5.792 -10.791 1.00 4.02 C ATOM 2362 O VAL A 145 -0.464 -5.998 -9.924 1.00 3.35 O ATOM 2363 CB VAL A 145 -3.135 -7.401 -11.470 1.00 32.42 C ATOM 2364 CG1 VAL A 145 -2.147 -8.549 -11.264 1.00 65.13 C ATOM 2365 CG2 VAL A 145 -4.570 -7.867 -11.224 1.00 14.42 C ATOM 0 H VAL A 145 -4.349 -5.217 -11.568 1.00 44.32 H new ATOM 0 HA VAL A 145 -2.897 -6.492 -9.513 1.00 25.12 H new ATOM 0 HB VAL A 145 -3.055 -7.073 -12.506 1.00 32.42 H new ATOM 0 HG11 VAL A 145 -2.414 -9.380 -11.917 1.00 65.13 H new ATOM 0 HG12 VAL A 145 -1.139 -8.209 -11.502 1.00 65.13 H new ATOM 0 HG13 VAL A 145 -2.183 -8.878 -10.225 1.00 65.13 H new ATOM 0 HG21 VAL A 145 -4.795 -8.712 -11.875 1.00 14.42 H new ATOM 0 HG22 VAL A 145 -4.680 -8.172 -10.183 1.00 14.42 H new ATOM 0 HG23 VAL A 145 -5.259 -7.050 -11.438 1.00 14.42 H new ATOM 2375 N MET A 146 -1.034 -5.214 -11.959 1.00 30.53 N ATOM 2376 CA MET A 146 0.340 -4.818 -12.311 1.00 33.02 C ATOM 2377 C MET A 146 0.933 -3.827 -11.295 1.00 75.02 C ATOM 2378 O MET A 146 2.141 -3.826 -11.044 1.00 50.33 O ATOM 2379 CB MET A 146 0.389 -4.217 -13.724 1.00 4.23 C ATOM 2380 CG MET A 146 -0.525 -3.016 -13.917 1.00 34.45 C ATOM 2381 SD MET A 146 -0.295 -2.209 -15.513 1.00 74.02 S ATOM 2382 CE MET A 146 1.377 -1.591 -15.332 1.00 44.40 C ATOM 0 H MET A 146 -1.728 -5.008 -12.677 1.00 30.53 H new ATOM 0 HA MET A 146 0.948 -5.722 -12.287 1.00 33.02 H new ATOM 0 HB2 MET A 146 1.414 -3.920 -13.946 1.00 4.23 H new ATOM 0 HB3 MET A 146 0.117 -4.988 -14.445 1.00 4.23 H new ATOM 0 HG2 MET A 146 -1.563 -3.337 -13.824 1.00 34.45 H new ATOM 0 HG3 MET A 146 -0.342 -2.294 -13.121 1.00 34.45 H new ATOM 0 HE1 MET A 146 1.531 -0.753 -16.012 1.00 44.40 H new ATOM 0 HE2 MET A 146 1.533 -1.259 -14.306 1.00 44.40 H new ATOM 0 HE3 MET A 146 2.086 -2.385 -15.568 1.00 44.40 H new ATOM 2392 N VAL A 147 0.085 -2.980 -10.720 1.00 43.05 N ATOM 2393 CA VAL A 147 0.524 -2.039 -9.685 1.00 32.25 C ATOM 2394 C VAL A 147 0.562 -2.701 -8.294 1.00 33.24 C ATOM 2395 O VAL A 147 1.499 -2.491 -7.525 1.00 54.04 O ATOM 2396 CB VAL A 147 -0.387 -0.790 -9.640 1.00 15.34 C ATOM 2397 CG1 VAL A 147 0.081 0.198 -8.570 1.00 1.11 C ATOM 2398 CG2 VAL A 147 -0.441 -0.122 -11.012 1.00 43.44 C ATOM 0 H VAL A 147 -0.907 -2.923 -10.949 1.00 43.05 H new ATOM 0 HA VAL A 147 1.535 -1.730 -9.949 1.00 32.25 H new ATOM 0 HB VAL A 147 -1.393 -1.113 -9.373 1.00 15.34 H new ATOM 0 HG11 VAL A 147 -0.579 1.066 -8.562 1.00 1.11 H new ATOM 0 HG12 VAL A 147 0.057 -0.285 -7.593 1.00 1.11 H new ATOM 0 HG13 VAL A 147 1.099 0.518 -8.791 1.00 1.11 H new ATOM 0 HG21 VAL A 147 -1.086 0.755 -10.964 1.00 43.44 H new ATOM 0 HG22 VAL A 147 0.563 0.181 -11.309 1.00 43.44 H new ATOM 0 HG23 VAL A 147 -0.839 -0.825 -11.744 1.00 43.44 H new ATOM 2408 N ALA A 148 -0.448 -3.516 -7.982 1.00 35.12 N ATOM 2409 CA ALA A 148 -0.539 -4.187 -6.674 1.00 31.44 C ATOM 2410 C ALA A 148 0.739 -4.971 -6.336 1.00 73.45 C ATOM 2411 O ALA A 148 1.208 -4.948 -5.199 1.00 54.41 O ATOM 2412 CB ALA A 148 -1.750 -5.114 -6.628 1.00 63.43 C ATOM 0 H ALA A 148 -1.218 -3.730 -8.616 1.00 35.12 H new ATOM 0 HA ALA A 148 -0.656 -3.407 -5.922 1.00 31.44 H new ATOM 0 HB1 ALA A 148 -1.799 -5.600 -5.654 1.00 63.43 H new ATOM 0 HB2 ALA A 148 -2.658 -4.534 -6.791 1.00 63.43 H new ATOM 0 HB3 ALA A 148 -1.659 -5.871 -7.407 1.00 63.43 H new ATOM 2418 N LYS A 149 1.306 -5.646 -7.333 1.00 71.43 N ATOM 2419 CA LYS A 149 2.526 -6.440 -7.131 1.00 62.22 C ATOM 2420 C LYS A 149 3.748 -5.559 -6.803 1.00 73.11 C ATOM 2421 O LYS A 149 4.677 -6.007 -6.133 1.00 12.52 O ATOM 2422 CB LYS A 149 2.814 -7.306 -8.367 1.00 61.24 C ATOM 2423 CG LYS A 149 3.024 -6.506 -9.648 1.00 30.52 C ATOM 2424 CD LYS A 149 3.280 -7.407 -10.854 1.00 4.12 C ATOM 2425 CE LYS A 149 2.108 -8.344 -11.133 1.00 43.34 C ATOM 2426 NZ LYS A 149 2.322 -9.145 -12.365 1.00 12.21 N ATOM 0 H LYS A 149 0.946 -5.662 -8.287 1.00 71.43 H new ATOM 0 HA LYS A 149 2.349 -7.086 -6.271 1.00 62.22 H new ATOM 0 HB2 LYS A 149 3.702 -7.909 -8.177 1.00 61.24 H new ATOM 0 HB3 LYS A 149 1.985 -7.998 -8.515 1.00 61.24 H new ATOM 0 HG2 LYS A 149 2.146 -5.889 -9.837 1.00 30.52 H new ATOM 0 HG3 LYS A 149 3.868 -5.828 -9.517 1.00 30.52 H new ATOM 0 HD2 LYS A 149 3.467 -6.790 -11.733 1.00 4.12 H new ATOM 0 HD3 LYS A 149 4.181 -7.996 -10.681 1.00 4.12 H new ATOM 0 HE2 LYS A 149 1.968 -9.013 -10.284 1.00 43.34 H new ATOM 0 HE3 LYS A 149 1.193 -7.761 -11.233 1.00 43.34 H new ATOM 0 HZ1 LYS A 149 1.504 -9.769 -12.520 1.00 12.21 H new ATOM 0 HZ2 LYS A 149 2.430 -8.507 -13.179 1.00 12.21 H new ATOM 0 HZ3 LYS A 149 3.182 -9.721 -12.260 1.00 12.21 H new ATOM 2440 N THR A 150 3.747 -4.303 -7.265 1.00 65.24 N ATOM 2441 CA THR A 150 4.859 -3.378 -6.975 1.00 72.43 C ATOM 2442 C THR A 150 4.559 -2.495 -5.757 1.00 52.44 C ATOM 2443 O THR A 150 5.443 -1.803 -5.260 1.00 62.14 O ATOM 2444 CB THR A 150 5.218 -2.467 -8.180 1.00 53.21 C ATOM 2445 OG1 THR A 150 6.379 -1.675 -7.873 1.00 64.12 O ATOM 2446 CG2 THR A 150 4.067 -1.542 -8.559 1.00 34.34 C ATOM 0 H THR A 150 3.001 -3.904 -7.834 1.00 65.24 H new ATOM 0 HA THR A 150 5.716 -4.017 -6.762 1.00 72.43 H new ATOM 0 HB THR A 150 5.423 -3.120 -9.028 1.00 53.21 H new ATOM 0 HG1 THR A 150 6.393 -1.474 -6.914 1.00 64.12 H new ATOM 0 HG21 THR A 150 4.362 -0.923 -9.406 1.00 34.34 H new ATOM 0 HG22 THR A 150 3.196 -2.138 -8.831 1.00 34.34 H new ATOM 0 HG23 THR A 150 3.820 -0.903 -7.711 1.00 34.34 H new ATOM 2454 N VAL A 151 3.316 -2.527 -5.272 1.00 22.04 N ATOM 2455 CA VAL A 151 2.930 -1.756 -4.079 1.00 74.02 C ATOM 2456 C VAL A 151 3.856 -2.030 -2.873 1.00 15.11 C ATOM 2457 O VAL A 151 4.300 -1.085 -2.216 1.00 41.43 O ATOM 2458 CB VAL A 151 1.451 -2.011 -3.678 1.00 22.40 C ATOM 2459 CG1 VAL A 151 1.121 -1.359 -2.338 1.00 34.52 C ATOM 2460 CG2 VAL A 151 0.514 -1.496 -4.761 1.00 22.44 C ATOM 0 H VAL A 151 2.559 -3.075 -5.682 1.00 22.04 H new ATOM 0 HA VAL A 151 3.040 -0.707 -4.356 1.00 74.02 H new ATOM 0 HB VAL A 151 1.312 -3.087 -3.572 1.00 22.40 H new ATOM 0 HG11 VAL A 151 0.079 -1.555 -2.085 1.00 34.52 H new ATOM 0 HG12 VAL A 151 1.767 -1.772 -1.563 1.00 34.52 H new ATOM 0 HG13 VAL A 151 1.281 -0.283 -2.408 1.00 34.52 H new ATOM 0 HG21 VAL A 151 -0.519 -1.681 -4.467 1.00 22.44 H new ATOM 0 HG22 VAL A 151 0.667 -0.425 -4.895 1.00 22.44 H new ATOM 0 HG23 VAL A 151 0.722 -2.012 -5.698 1.00 22.44 H new ATOM 2470 N PRO A 152 4.160 -3.314 -2.549 1.00 43.13 N ATOM 2471 CA PRO A 152 5.112 -3.645 -1.472 1.00 25.31 C ATOM 2472 C PRO A 152 6.530 -3.108 -1.743 1.00 51.32 C ATOM 2473 O PRO A 152 7.285 -2.848 -0.808 1.00 33.33 O ATOM 2474 CB PRO A 152 5.109 -5.185 -1.437 1.00 41.13 C ATOM 2475 CG PRO A 152 4.569 -5.605 -2.763 1.00 13.22 C ATOM 2476 CD PRO A 152 3.594 -4.534 -3.164 1.00 71.41 C ATOM 0 HA PRO A 152 4.820 -3.188 -0.527 1.00 25.31 H new ATOM 0 HB2 PRO A 152 6.114 -5.577 -1.279 1.00 41.13 H new ATOM 0 HB3 PRO A 152 4.489 -5.559 -0.623 1.00 41.13 H new ATOM 0 HG2 PRO A 152 5.368 -5.702 -3.498 1.00 13.22 H new ATOM 0 HG3 PRO A 152 4.078 -6.576 -2.696 1.00 13.22 H new ATOM 0 HD2 PRO A 152 3.520 -4.442 -4.248 1.00 71.41 H new ATOM 0 HD3 PRO A 152 2.591 -4.744 -2.793 1.00 71.41 H new ATOM 2484 N ASP A 153 6.885 -2.940 -3.019 1.00 3.11 N ATOM 2485 CA ASP A 153 8.195 -2.384 -3.391 1.00 61.22 C ATOM 2486 C ASP A 153 8.216 -0.860 -3.188 1.00 45.10 C ATOM 2487 O ASP A 153 9.123 -0.317 -2.548 1.00 20.24 O ATOM 2488 CB ASP A 153 8.527 -2.732 -4.846 1.00 71.34 C ATOM 2489 CG ASP A 153 9.893 -2.213 -5.266 1.00 44.14 C ATOM 2490 OD1 ASP A 153 10.903 -2.879 -4.967 1.00 11.43 O ATOM 2491 OD2 ASP A 153 9.961 -1.134 -5.891 1.00 53.43 O ATOM 0 H ASP A 153 6.289 -3.179 -3.811 1.00 3.11 H new ATOM 0 HA ASP A 153 8.952 -2.827 -2.744 1.00 61.22 H new ATOM 0 HB2 ASP A 153 8.497 -3.814 -4.975 1.00 71.34 H new ATOM 0 HB3 ASP A 153 7.764 -2.312 -5.501 1.00 71.34 H new ATOM 2496 N ASP A 154 7.216 -0.178 -3.747 1.00 15.31 N ATOM 2497 CA ASP A 154 7.027 1.258 -3.518 1.00 13.32 C ATOM 2498 C ASP A 154 7.003 1.559 -2.007 1.00 52.23 C ATOM 2499 O ASP A 154 7.618 2.517 -1.534 1.00 54.03 O ATOM 2500 CB ASP A 154 5.718 1.729 -4.168 1.00 71.54 C ATOM 2501 CG ASP A 154 5.668 1.521 -5.677 1.00 42.44 C ATOM 2502 OD1 ASP A 154 6.576 0.869 -6.239 1.00 24.34 O ATOM 2503 OD2 ASP A 154 4.710 2.012 -6.310 1.00 2.22 O ATOM 0 H ASP A 154 6.521 -0.597 -4.364 1.00 15.31 H new ATOM 0 HA ASP A 154 7.860 1.796 -3.970 1.00 13.32 H new ATOM 0 HB2 ASP A 154 4.884 1.197 -3.710 1.00 71.54 H new ATOM 0 HB3 ASP A 154 5.577 2.788 -3.952 1.00 71.54 H new ATOM 2508 N ALA A 155 6.288 0.719 -1.262 1.00 61.10 N ATOM 2509 CA ALA A 155 6.261 0.793 0.202 1.00 15.00 C ATOM 2510 C ALA A 155 7.652 0.523 0.796 1.00 23.52 C ATOM 2511 O ALA A 155 8.116 1.251 1.666 1.00 43.22 O ATOM 2512 CB ALA A 155 5.246 -0.203 0.754 1.00 41.53 C ATOM 0 H ALA A 155 5.713 -0.029 -1.650 1.00 61.10 H new ATOM 0 HA ALA A 155 5.964 1.802 0.489 1.00 15.00 H new ATOM 0 HB1 ALA A 155 5.231 -0.142 1.842 1.00 41.53 H new ATOM 0 HB2 ALA A 155 4.256 0.033 0.364 1.00 41.53 H new ATOM 0 HB3 ALA A 155 5.524 -1.212 0.451 1.00 41.53 H new ATOM 2518 N LYS A 156 8.315 -0.520 0.295 1.00 75.32 N ATOM 2519 CA LYS A 156 9.666 -0.901 0.738 1.00 71.03 C ATOM 2520 C LYS A 156 10.629 0.299 0.718 1.00 22.44 C ATOM 2521 O LYS A 156 11.568 0.374 1.517 1.00 34.04 O ATOM 2522 CB LYS A 156 10.197 -2.023 -0.165 1.00 73.55 C ATOM 2523 CG LYS A 156 11.546 -2.605 0.248 1.00 60.14 C ATOM 2524 CD LYS A 156 11.983 -3.704 -0.721 1.00 74.24 C ATOM 2525 CE LYS A 156 13.276 -4.386 -0.286 1.00 24.51 C ATOM 2526 NZ LYS A 156 13.636 -5.506 -1.198 1.00 32.11 N ATOM 0 H LYS A 156 7.934 -1.128 -0.430 1.00 75.32 H new ATOM 0 HA LYS A 156 9.604 -1.252 1.768 1.00 71.03 H new ATOM 0 HB2 LYS A 156 9.463 -2.828 -0.187 1.00 73.55 H new ATOM 0 HB3 LYS A 156 10.280 -1.640 -1.182 1.00 73.55 H new ATOM 0 HG2 LYS A 156 12.296 -1.815 0.271 1.00 60.14 H new ATOM 0 HG3 LYS A 156 11.479 -3.010 1.258 1.00 60.14 H new ATOM 0 HD2 LYS A 156 11.192 -4.449 -0.801 1.00 74.24 H new ATOM 0 HD3 LYS A 156 12.118 -3.276 -1.714 1.00 74.24 H new ATOM 0 HE2 LYS A 156 14.085 -3.656 -0.268 1.00 24.51 H new ATOM 0 HE3 LYS A 156 13.165 -4.764 0.730 1.00 24.51 H new ATOM 0 HZ1 LYS A 156 14.520 -5.948 -0.873 1.00 32.11 H new ATOM 0 HZ2 LYS A 156 12.874 -6.214 -1.196 1.00 32.11 H new ATOM 0 HZ3 LYS A 156 13.766 -5.140 -2.163 1.00 32.11 H new ATOM 2540 N GLN A 157 10.387 1.241 -0.196 1.00 3.31 N ATOM 2541 CA GLN A 157 11.197 2.462 -0.282 1.00 20.12 C ATOM 2542 C GLN A 157 11.052 3.302 1.004 1.00 51.23 C ATOM 2543 O GLN A 157 12.042 3.657 1.649 1.00 34.23 O ATOM 2544 CB GLN A 157 10.786 3.310 -1.499 1.00 61.44 C ATOM 2545 CG GLN A 157 10.679 2.537 -2.816 1.00 34.55 C ATOM 2546 CD GLN A 157 11.916 1.716 -3.141 1.00 55.15 C ATOM 2547 OE1 GLN A 157 12.868 2.208 -3.740 1.00 32.11 O ATOM 2548 NE2 GLN A 157 11.898 0.446 -2.783 1.00 55.43 N ATOM 0 H GLN A 157 9.639 1.184 -0.887 1.00 3.31 H new ATOM 0 HA GLN A 157 12.238 2.161 -0.398 1.00 20.12 H new ATOM 0 HB2 GLN A 157 9.824 3.777 -1.290 1.00 61.44 H new ATOM 0 HB3 GLN A 157 11.511 4.114 -1.624 1.00 61.44 H new ATOM 0 HG2 GLN A 157 9.815 1.874 -2.770 1.00 34.55 H new ATOM 0 HG3 GLN A 157 10.497 3.242 -3.628 1.00 34.55 H new ATOM 0 HE21 GLN A 157 11.092 0.068 -2.286 1.00 55.43 H new ATOM 0 HE22 GLN A 157 12.691 -0.157 -3.003 1.00 55.43 H new ATOM 2557 N LEU A 158 9.807 3.602 1.377 1.00 21.44 N ATOM 2558 CA LEU A 158 9.521 4.393 2.585 1.00 41.42 C ATOM 2559 C LEU A 158 9.826 3.601 3.861 1.00 53.25 C ATOM 2560 O LEU A 158 10.417 4.133 4.800 1.00 54.13 O ATOM 2561 CB LEU A 158 8.060 4.875 2.595 1.00 53.31 C ATOM 2562 CG LEU A 158 7.749 6.076 1.684 1.00 54.11 C ATOM 2563 CD1 LEU A 158 8.521 7.313 2.141 1.00 24.40 C ATOM 2564 CD2 LEU A 158 8.068 5.754 0.227 1.00 3.43 C ATOM 0 H LEU A 158 8.976 3.311 0.862 1.00 21.44 H new ATOM 0 HA LEU A 158 10.175 5.264 2.563 1.00 41.42 H new ATOM 0 HB2 LEU A 158 7.420 4.043 2.301 1.00 53.31 H new ATOM 0 HB3 LEU A 158 7.790 5.138 3.618 1.00 53.31 H new ATOM 0 HG LEU A 158 6.682 6.288 1.758 1.00 54.11 H new ATOM 0 HD11 LEU A 158 8.287 8.151 1.484 1.00 24.40 H new ATOM 0 HD12 LEU A 158 8.236 7.563 3.163 1.00 24.40 H new ATOM 0 HD13 LEU A 158 9.591 7.109 2.102 1.00 24.40 H new ATOM 0 HD21 LEU A 158 7.839 6.619 -0.395 1.00 3.43 H new ATOM 0 HD22 LEU A 158 9.126 5.508 0.132 1.00 3.43 H new ATOM 0 HD23 LEU A 158 7.467 4.904 -0.098 1.00 3.43 H new ATOM 2576 N THR A 159 9.416 2.333 3.884 1.00 12.21 N ATOM 2577 CA THR A 159 9.698 1.437 5.011 1.00 31.24 C ATOM 2578 C THR A 159 11.173 1.506 5.426 1.00 74.53 C ATOM 2579 O THR A 159 11.495 1.752 6.588 1.00 34.32 O ATOM 2580 CB THR A 159 9.338 -0.031 4.668 1.00 42.52 C ATOM 2581 OG1 THR A 159 7.965 -0.118 4.253 1.00 41.41 O ATOM 2582 CG2 THR A 159 9.568 -0.952 5.863 1.00 30.24 C ATOM 0 H THR A 159 8.884 1.899 3.130 1.00 12.21 H new ATOM 0 HA THR A 159 9.077 1.774 5.841 1.00 31.24 H new ATOM 0 HB THR A 159 9.989 -0.353 3.855 1.00 42.52 H new ATOM 0 HG1 THR A 159 7.806 -0.986 3.827 1.00 41.41 H new ATOM 0 HG21 THR A 159 9.306 -1.974 5.590 1.00 30.24 H new ATOM 0 HG22 THR A 159 10.617 -0.912 6.157 1.00 30.24 H new ATOM 0 HG23 THR A 159 8.945 -0.628 6.697 1.00 30.24 H new ATOM 2590 N THR A 160 12.067 1.314 4.461 1.00 72.31 N ATOM 2591 CA THR A 160 13.509 1.386 4.722 1.00 65.12 C ATOM 2592 C THR A 160 13.928 2.791 5.181 1.00 1.22 C ATOM 2593 O THR A 160 14.661 2.940 6.163 1.00 40.33 O ATOM 2594 CB THR A 160 14.333 0.999 3.468 1.00 15.01 C ATOM 2595 OG1 THR A 160 13.931 -0.296 2.993 1.00 41.22 O ATOM 2596 CG2 THR A 160 15.828 0.988 3.777 1.00 5.43 C ATOM 0 H THR A 160 11.824 1.108 3.492 1.00 72.31 H new ATOM 0 HA THR A 160 13.716 0.673 5.520 1.00 65.12 H new ATOM 0 HB THR A 160 14.143 1.745 2.697 1.00 15.01 H new ATOM 0 HG1 THR A 160 13.104 -0.212 2.474 1.00 41.22 H new ATOM 0 HG21 THR A 160 16.383 0.713 2.880 1.00 5.43 H new ATOM 0 HG22 THR A 160 16.139 1.979 4.107 1.00 5.43 H new ATOM 0 HG23 THR A 160 16.031 0.263 4.565 1.00 5.43 H new ATOM 2604 N THR A 161 13.449 3.816 4.469 1.00 30.22 N ATOM 2605 CA THR A 161 13.784 5.218 4.783 1.00 54.03 C ATOM 2606 C THR A 161 13.439 5.584 6.239 1.00 24.32 C ATOM 2607 O THR A 161 14.272 6.119 6.972 1.00 24.04 O ATOM 2608 CB THR A 161 13.056 6.206 3.833 1.00 14.32 C ATOM 2609 OG1 THR A 161 13.432 5.950 2.470 1.00 54.32 O ATOM 2610 CG2 THR A 161 13.375 7.659 4.179 1.00 22.25 C ATOM 0 H THR A 161 12.826 3.706 3.669 1.00 30.22 H new ATOM 0 HA THR A 161 14.861 5.307 4.642 1.00 54.03 H new ATOM 0 HB THR A 161 11.984 6.050 3.958 1.00 14.32 H new ATOM 0 HG1 THR A 161 12.966 5.151 2.147 1.00 54.32 H new ATOM 0 HG21 THR A 161 12.847 8.321 3.492 1.00 22.25 H new ATOM 0 HG22 THR A 161 13.057 7.868 5.201 1.00 22.25 H new ATOM 0 HG23 THR A 161 14.448 7.827 4.091 1.00 22.25 H new ATOM 2618 N ILE A 162 12.209 5.295 6.652 1.00 63.10 N ATOM 2619 CA ILE A 162 11.759 5.598 8.015 1.00 52.23 C ATOM 2620 C ILE A 162 12.550 4.796 9.061 1.00 62.51 C ATOM 2621 O ILE A 162 13.094 5.365 10.005 1.00 21.23 O ATOM 2622 CB ILE A 162 10.242 5.318 8.174 1.00 4.43 C ATOM 2623 CG1 ILE A 162 9.436 6.235 7.234 1.00 32.13 C ATOM 2624 CG2 ILE A 162 9.799 5.502 9.627 1.00 2.20 C ATOM 2625 CD1 ILE A 162 7.935 6.040 7.318 1.00 41.40 C ATOM 0 H ILE A 162 11.502 4.851 6.065 1.00 63.10 H new ATOM 0 HA ILE A 162 11.942 6.659 8.186 1.00 52.23 H new ATOM 0 HB ILE A 162 10.050 4.281 7.900 1.00 4.43 H new ATOM 0 HG12 ILE A 162 9.671 7.274 7.468 1.00 32.13 H new ATOM 0 HG13 ILE A 162 9.758 6.059 6.208 1.00 32.13 H new ATOM 0 HG21 ILE A 162 8.731 5.300 9.710 1.00 2.20 H new ATOM 0 HG22 ILE A 162 10.350 4.812 10.266 1.00 2.20 H new ATOM 0 HG23 ILE A 162 10.000 6.526 9.942 1.00 2.20 H new ATOM 0 HD11 ILE A 162 7.440 6.722 6.626 1.00 41.40 H new ATOM 0 HD12 ILE A 162 7.686 5.012 7.054 1.00 41.40 H new ATOM 0 HD13 ILE A 162 7.598 6.246 8.334 1.00 41.40 H new ATOM 2637 N ASN A 163 12.621 3.482 8.869 1.00 14.42 N ATOM 2638 CA ASN A 163 13.356 2.596 9.780 1.00 44.22 C ATOM 2639 C ASN A 163 14.807 3.064 10.017 1.00 3.33 C ATOM 2640 O ASN A 163 15.268 3.121 11.160 1.00 62.35 O ATOM 2641 CB ASN A 163 13.331 1.163 9.238 1.00 51.03 C ATOM 2642 CG ASN A 163 11.953 0.531 9.352 1.00 44.21 C ATOM 2643 OD1 ASN A 163 11.904 -0.777 9.481 1.00 72.23 O flip ATOM 2644 ND2 ASN A 163 10.939 1.212 9.326 1.00 13.23 N flip ATOM 0 H ASN A 163 12.177 3.000 8.087 1.00 14.42 H new ATOM 0 HA ASN A 163 12.856 2.629 10.748 1.00 44.22 H new ATOM 0 HB2 ASN A 163 13.643 1.166 8.193 1.00 51.03 H new ATOM 0 HB3 ASN A 163 14.053 0.557 9.784 1.00 51.03 H new ATOM 0 HD21 ASN A 163 11.007 2.225 9.225 1.00 13.23 H new ATOM 0 HD22 ASN A 163 10.024 0.768 9.405 1.00 13.23 H new ATOM 2651 N THR A 164 15.526 3.414 8.948 1.00 23.12 N ATOM 2652 CA THR A 164 16.919 3.871 9.090 1.00 21.21 C ATOM 2653 C THR A 164 17.006 5.263 9.739 1.00 0.10 C ATOM 2654 O THR A 164 17.963 5.563 10.453 1.00 63.24 O ATOM 2655 CB THR A 164 17.687 3.892 7.741 1.00 43.20 C ATOM 2656 OG1 THR A 164 19.051 4.287 7.961 1.00 32.15 O ATOM 2657 CG2 THR A 164 17.045 4.845 6.739 1.00 63.53 C ATOM 0 H THR A 164 15.179 3.392 7.989 1.00 23.12 H new ATOM 0 HA THR A 164 17.394 3.139 9.744 1.00 21.21 H new ATOM 0 HB THR A 164 17.649 2.885 7.326 1.00 43.20 H new ATOM 0 HG1 THR A 164 19.531 4.297 7.106 1.00 32.15 H new ATOM 0 HG21 THR A 164 17.612 4.831 5.808 1.00 63.53 H new ATOM 0 HG22 THR A 164 16.020 4.531 6.544 1.00 63.53 H new ATOM 0 HG23 THR A 164 17.044 5.856 7.147 1.00 63.53 H new ATOM 2665 N ASN A 165 16.001 6.109 9.504 1.00 21.34 N ATOM 2666 CA ASN A 165 15.984 7.461 10.087 1.00 34.23 C ATOM 2667 C ASN A 165 15.153 7.536 11.380 1.00 34.52 C ATOM 2668 O ASN A 165 14.989 8.614 11.950 1.00 43.33 O ATOM 2669 CB ASN A 165 15.463 8.488 9.071 1.00 62.11 C ATOM 2670 CG ASN A 165 16.464 8.757 7.958 1.00 2.42 C ATOM 2671 OD1 ASN A 165 17.358 9.586 8.103 1.00 12.45 O ATOM 2672 ND2 ASN A 165 16.317 8.077 6.839 1.00 32.52 N ATOM 0 H ASN A 165 15.194 5.889 8.921 1.00 21.34 H new ATOM 0 HA ASN A 165 17.016 7.700 10.345 1.00 34.23 H new ATOM 0 HB2 ASN A 165 14.530 8.127 8.638 1.00 62.11 H new ATOM 0 HB3 ASN A 165 15.235 9.422 9.585 1.00 62.11 H new ATOM 0 HD21 ASN A 165 16.957 8.232 6.060 1.00 32.52 H new ATOM 0 HD22 ASN A 165 15.563 7.395 6.752 1.00 32.52 H new ATOM 2679 N ALA A 166 14.640 6.395 11.845 1.00 54.44 N ATOM 2680 CA ALA A 166 13.871 6.335 13.099 1.00 22.42 C ATOM 2681 C ALA A 166 14.646 6.968 14.265 1.00 22.13 C ATOM 2682 O ALA A 166 14.066 7.639 15.122 1.00 54.20 O ATOM 2683 CB ALA A 166 13.501 4.890 13.423 1.00 54.35 C ATOM 0 H ALA A 166 14.741 5.496 11.374 1.00 54.44 H new ATOM 0 HA ALA A 166 12.956 6.911 12.960 1.00 22.42 H new ATOM 0 HB1 ALA A 166 12.933 4.860 14.353 1.00 54.35 H new ATOM 0 HB2 ALA A 166 12.896 4.479 12.614 1.00 54.35 H new ATOM 0 HB3 ALA A 166 14.409 4.298 13.534 1.00 54.35 H new ATOM 2689 N GLU A 167 15.959 6.755 14.273 1.00 52.40 N ATOM 2690 CA GLU A 167 16.864 7.368 15.259 1.00 24.13 C ATOM 2691 C GLU A 167 16.676 8.896 15.347 1.00 33.11 C ATOM 2692 O GLU A 167 16.871 9.501 16.403 1.00 14.22 O ATOM 2693 CB GLU A 167 18.317 7.050 14.872 1.00 45.42 C ATOM 2694 CG GLU A 167 18.673 7.479 13.448 1.00 34.25 C ATOM 2695 CD GLU A 167 20.102 7.141 13.064 1.00 54.30 C ATOM 2696 OE1 GLU A 167 20.374 5.966 12.738 1.00 52.25 O ATOM 2697 OE2 GLU A 167 20.959 8.050 13.077 1.00 73.41 O ATOM 0 H GLU A 167 16.432 6.153 13.599 1.00 52.40 H new ATOM 0 HA GLU A 167 16.628 6.952 16.238 1.00 24.13 H new ATOM 0 HB2 GLU A 167 18.989 7.547 15.572 1.00 45.42 H new ATOM 0 HB3 GLU A 167 18.486 5.978 14.974 1.00 45.42 H new ATOM 0 HG2 GLU A 167 17.991 6.996 12.748 1.00 34.25 H new ATOM 0 HG3 GLU A 167 18.521 8.554 13.350 1.00 34.25 H new ATOM 2704 N ALA A 168 16.316 9.518 14.226 1.00 12.52 N ATOM 2705 CA ALA A 168 16.085 10.965 14.174 1.00 24.35 C ATOM 2706 C ALA A 168 14.594 11.308 14.310 1.00 13.13 C ATOM 2707 O ALA A 168 14.231 12.315 14.917 1.00 43.23 O ATOM 2708 CB ALA A 168 16.642 11.535 12.872 1.00 51.34 C ATOM 0 H ALA A 168 16.177 9.041 13.335 1.00 12.52 H new ATOM 0 HA ALA A 168 16.605 11.417 15.019 1.00 24.35 H new ATOM 0 HB1 ALA A 168 16.466 12.610 12.841 1.00 51.34 H new ATOM 0 HB2 ALA A 168 17.713 11.341 12.819 1.00 51.34 H new ATOM 0 HB3 ALA A 168 16.145 11.062 12.025 1.00 51.34 H new ATOM 2714 N LEU A 169 13.737 10.457 13.750 1.00 64.11 N ATOM 2715 CA LEU A 169 12.286 10.693 13.739 1.00 15.23 C ATOM 2716 C LEU A 169 11.655 10.560 15.137 1.00 75.12 C ATOM 2717 O LEU A 169 10.685 11.247 15.455 1.00 24.33 O ATOM 2718 CB LEU A 169 11.601 9.710 12.775 1.00 22.23 C ATOM 2719 CG LEU A 169 12.016 9.834 11.298 1.00 71.34 C ATOM 2720 CD1 LEU A 169 11.365 8.739 10.457 1.00 34.23 C ATOM 2721 CD2 LEU A 169 11.662 11.215 10.750 1.00 41.11 C ATOM 0 H LEU A 169 14.021 9.590 13.293 1.00 64.11 H new ATOM 0 HA LEU A 169 12.133 11.719 13.405 1.00 15.23 H new ATOM 0 HB2 LEU A 169 11.811 8.694 13.109 1.00 22.23 H new ATOM 0 HB3 LEU A 169 10.523 9.852 12.845 1.00 22.23 H new ATOM 0 HG LEU A 169 13.097 9.710 11.240 1.00 71.34 H new ATOM 0 HD11 LEU A 169 11.673 8.847 9.417 1.00 34.23 H new ATOM 0 HD12 LEU A 169 11.676 7.762 10.828 1.00 34.23 H new ATOM 0 HD13 LEU A 169 10.280 8.824 10.525 1.00 34.23 H new ATOM 0 HD21 LEU A 169 11.964 11.280 9.705 1.00 41.11 H new ATOM 0 HD22 LEU A 169 10.586 11.372 10.827 1.00 41.11 H new ATOM 0 HD23 LEU A 169 12.183 11.980 11.327 1.00 41.11 H new ATOM 2733 N PHE A 170 12.202 9.668 15.963 1.00 31.33 N ATOM 2734 CA PHE A 170 11.629 9.387 17.289 1.00 31.34 C ATOM 2735 C PHE A 170 12.692 9.469 18.402 1.00 72.14 C ATOM 2736 O PHE A 170 13.858 9.770 18.145 1.00 13.21 O ATOM 2737 CB PHE A 170 10.973 7.998 17.286 1.00 65.43 C ATOM 2738 CG PHE A 170 9.931 7.823 16.208 1.00 75.02 C ATOM 2739 CD1 PHE A 170 8.667 8.378 16.347 1.00 51.20 C ATOM 2740 CD2 PHE A 170 10.219 7.110 15.050 1.00 33.31 C ATOM 2741 CE1 PHE A 170 7.715 8.227 15.356 1.00 21.24 C ATOM 2742 CE2 PHE A 170 9.270 6.958 14.057 1.00 31.45 C ATOM 2743 CZ PHE A 170 8.017 7.516 14.211 1.00 73.23 C ATOM 0 H PHE A 170 13.038 9.127 15.743 1.00 31.33 H new ATOM 0 HA PHE A 170 10.877 10.148 17.498 1.00 31.34 H new ATOM 0 HB2 PHE A 170 11.746 7.241 17.158 1.00 65.43 H new ATOM 0 HB3 PHE A 170 10.511 7.821 18.258 1.00 65.43 H new ATOM 0 HD1 PHE A 170 8.424 8.935 17.240 1.00 51.20 H new ATOM 0 HD2 PHE A 170 11.197 6.669 14.925 1.00 33.31 H new ATOM 0 HE1 PHE A 170 6.735 8.665 15.477 1.00 21.24 H new ATOM 0 HE2 PHE A 170 9.508 6.403 13.162 1.00 31.45 H new ATOM 0 HZ PHE A 170 7.273 7.397 13.437 1.00 73.23 H new ATOM 2753 N ARG A 171 12.278 9.204 19.644 1.00 71.15 N ATOM 2754 CA ARG A 171 13.180 9.278 20.801 1.00 75.15 C ATOM 2755 C ARG A 171 12.759 8.267 21.892 1.00 35.23 C ATOM 2756 O ARG A 171 11.609 8.263 22.325 1.00 34.31 O ATOM 2757 CB ARG A 171 13.168 10.708 21.373 1.00 33.42 C ATOM 2758 CG ARG A 171 14.283 10.996 22.375 1.00 62.43 C ATOM 2759 CD ARG A 171 15.658 10.961 21.712 1.00 21.14 C ATOM 2760 NE ARG A 171 15.783 11.956 20.649 1.00 23.33 N ATOM 2761 CZ ARG A 171 16.636 11.879 19.663 1.00 15.25 C ATOM 2762 NH1 ARG A 171 17.417 10.852 19.540 1.00 15.12 N ATOM 2763 NH2 ARG A 171 16.696 12.830 18.788 1.00 64.10 N ATOM 0 H ARG A 171 11.322 8.935 19.876 1.00 71.15 H new ATOM 0 HA ARG A 171 14.189 9.025 20.474 1.00 75.15 H new ATOM 0 HB2 ARG A 171 13.245 11.417 20.548 1.00 33.42 H new ATOM 0 HB3 ARG A 171 12.207 10.885 21.856 1.00 33.42 H new ATOM 0 HG2 ARG A 171 14.122 11.974 22.828 1.00 62.43 H new ATOM 0 HG3 ARG A 171 14.248 10.262 23.180 1.00 62.43 H new ATOM 0 HD2 ARG A 171 16.427 11.137 22.464 1.00 21.14 H new ATOM 0 HD3 ARG A 171 15.836 9.968 21.300 1.00 21.14 H new ATOM 0 HE ARG A 171 15.162 12.765 20.679 1.00 23.33 H new ATOM 0 HH11 ARG A 171 17.370 10.091 20.218 1.00 15.12 H new ATOM 0 HH12 ARG A 171 18.079 10.804 18.765 1.00 15.12 H new ATOM 0 HH21 ARG A 171 16.078 13.637 18.869 1.00 64.10 H new ATOM 0 HH22 ARG A 171 17.361 12.772 18.017 1.00 64.10 H new