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 39 SER OG : rot 64:sc= 1.89 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -167:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 30 GLN : amide:sc= 1.37 K(o=3.9,f=1.1) USER MOD Set 2.2: A 75 TYR OH : rot 25:sc= 0.86 USER MOD Set 2.3: A 159 THR OG1 : rot 163:sc= 1.64 USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -1.46 X(o=-7.6,f=-7.4) USER MOD Set 3.2: A 163 ASN : amide:sc= -5.91! C(o=-7.4!,f=-7.6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.846 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0258 F(o=-0.76,f=-0.026) USER MOD Single : A 35 MET CE :methyl 159:sc= -1.8 (180deg=-2.54!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -156:sc= -0.0506 (180deg=-1.02) USER MOD Single : A 54 MET CE :methyl 155:sc= -1.85 (180deg=-2.88!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 0.18 K(o=0.18,f=-7.6!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 0.521 (180deg=-0.429!) USER MOD Single : A 85 ASN : amide:sc= -0.623! C(o=-0.62!,f=-4.2!) USER MOD Single : A 88 CYS SG : rot -29:sc= 0.409 USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.381 F(o=-0.94,f=-0.38) USER MOD Single : A 96 ASN : amide:sc= 0.0661 K(o=0.066,f=-7.6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -132:sc= -1.08 (180deg=-2.54!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.055) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HE2:sc= -6.85! C(o=-6.9!,f=-16!) USER MOD Single : A 110 GLN :FLIP amide:sc= -1.02 F(o=-2,f=-1) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.23) USER MOD Single : A 115 THR OG1 : rot -33:sc= 0.949 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-1.3) USER MOD Single : A 120 ASN : amide:sc=-0.00514 X(o=-0.0051,f=0) USER MOD Single : A 122 CYS SG : rot 74:sc= 0.763 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 75:sc= 1.18 USER MOD Single : A 127 ASN : amide:sc=-0.00424 X(o=-0.0042,f=0) USER MOD Single : A 146 MET CE :methyl -156:sc= -0.168 (180deg=-0.792) USER MOD Single : A 149 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0314) USER MOD Single : A 150 THR OG1 : rot -20:sc= 0.621 USER MOD Single : A 156 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00603) USER MOD Single : A 157 GLN : amide:sc= 0.00619 X(o=0.0062,f=-0.39) USER MOD Single : A 160 THR OG1 : rot 76:sc= 0.503 USER MOD Single : A 161 THR OG1 : rot 73:sc= 0.254 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 ASN : amide:sc= -1.24! X(o=-1.2!,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 215 N ARG A 14 -1.359 12.094 13.778 1.00 61.14 N ATOM 216 CA ARG A 14 -0.205 11.227 13.538 1.00 2.42 C ATOM 217 C ARG A 14 0.092 10.319 14.744 1.00 3.45 C ATOM 218 O ARG A 14 -0.602 10.361 15.763 1.00 62.11 O ATOM 219 CB ARG A 14 1.044 12.047 13.165 1.00 52.24 C ATOM 220 CG ARG A 14 1.599 12.951 14.267 1.00 54.24 C ATOM 221 CD ARG A 14 0.921 14.318 14.312 1.00 52.11 C ATOM 222 NE ARG A 14 1.692 15.268 15.108 1.00 73.02 N ATOM 223 CZ ARG A 14 1.442 16.547 15.189 1.00 30.31 C ATOM 224 NH1 ARG A 14 0.433 17.071 14.565 1.00 73.21 N ATOM 225 NH2 ARG A 14 2.208 17.302 15.900 1.00 0.24 N ATOM 0 HA ARG A 14 -0.463 10.587 12.694 1.00 2.42 H new ATOM 0 HB2 ARG A 14 1.830 11.357 12.857 1.00 52.24 H new ATOM 0 HB3 ARG A 14 0.805 12.665 12.300 1.00 52.24 H new ATOM 0 HG2 ARG A 14 1.475 12.458 15.231 1.00 54.24 H new ATOM 0 HG3 ARG A 14 2.670 13.087 14.114 1.00 54.24 H new ATOM 0 HD2 ARG A 14 0.803 14.701 13.298 1.00 52.11 H new ATOM 0 HD3 ARG A 14 -0.080 14.216 14.732 1.00 52.11 H new ATOM 0 HE ARG A 14 2.484 14.906 15.640 1.00 73.02 H new ATOM 0 HH11 ARG A 14 -0.179 16.482 14.000 1.00 73.21 H new ATOM 0 HH12 ARG A 14 0.252 18.072 14.639 1.00 73.21 H new ATOM 0 HH21 ARG A 14 3.004 16.899 16.395 1.00 0.24 H new ATOM 0 HH22 ARG A 14 2.018 18.302 15.967 1.00 0.24 H new ATOM 239 N LEU A 15 1.131 9.500 14.619 1.00 70.31 N ATOM 240 CA LEU A 15 1.475 8.512 15.648 1.00 22.13 C ATOM 241 C LEU A 15 2.618 8.992 16.559 1.00 53.15 C ATOM 242 O LEU A 15 3.515 9.714 16.126 1.00 42.04 O ATOM 243 CB LEU A 15 1.825 7.166 14.979 1.00 22.35 C ATOM 244 CG LEU A 15 2.644 7.244 13.671 1.00 50.52 C ATOM 245 CD1 LEU A 15 4.056 7.767 13.907 1.00 42.53 C ATOM 246 CD2 LEU A 15 2.689 5.883 12.989 1.00 43.34 C ATOM 0 H LEU A 15 1.755 9.498 13.813 1.00 70.31 H new ATOM 0 HA LEU A 15 0.605 8.378 16.290 1.00 22.13 H new ATOM 0 HB2 LEU A 15 2.382 6.562 15.696 1.00 22.35 H new ATOM 0 HB3 LEU A 15 0.896 6.636 14.770 1.00 22.35 H new ATOM 0 HG LEU A 15 2.140 7.955 13.016 1.00 50.52 H new ATOM 0 HD11 LEU A 15 4.593 7.804 12.959 1.00 42.53 H new ATOM 0 HD12 LEU A 15 4.006 8.768 14.336 1.00 42.53 H new ATOM 0 HD13 LEU A 15 4.580 7.103 14.595 1.00 42.53 H new ATOM 0 HD21 LEU A 15 3.270 5.956 12.069 1.00 43.34 H new ATOM 0 HD22 LEU A 15 3.155 5.157 13.656 1.00 43.34 H new ATOM 0 HD23 LEU A 15 1.675 5.561 12.753 1.00 43.34 H new ATOM 258 N PHE A 16 2.561 8.606 17.831 1.00 72.14 N ATOM 259 CA PHE A 16 3.627 8.915 18.793 1.00 55.25 C ATOM 260 C PHE A 16 4.051 7.650 19.555 1.00 73.14 C ATOM 261 O PHE A 16 3.302 7.133 20.390 1.00 51.34 O ATOM 262 CB PHE A 16 3.173 10.000 19.781 1.00 31.34 C ATOM 263 CG PHE A 16 2.914 11.341 19.137 1.00 63.42 C ATOM 264 CD1 PHE A 16 3.947 12.252 18.963 1.00 65.12 C ATOM 265 CD2 PHE A 16 1.641 11.688 18.703 1.00 35.13 C ATOM 266 CE1 PHE A 16 3.715 13.479 18.370 1.00 61.11 C ATOM 267 CE2 PHE A 16 1.406 12.914 18.111 1.00 23.13 C ATOM 268 CZ PHE A 16 2.443 13.810 17.944 1.00 3.35 C ATOM 0 H PHE A 16 1.785 8.075 18.226 1.00 72.14 H new ATOM 0 HA PHE A 16 4.485 9.292 18.236 1.00 55.25 H new ATOM 0 HB2 PHE A 16 2.264 9.666 20.281 1.00 31.34 H new ATOM 0 HB3 PHE A 16 3.935 10.118 20.551 1.00 31.34 H new ATOM 0 HD1 PHE A 16 4.943 11.999 19.295 1.00 65.12 H new ATOM 0 HD2 PHE A 16 0.825 10.991 18.830 1.00 35.13 H new ATOM 0 HE1 PHE A 16 4.528 14.178 18.240 1.00 61.11 H new ATOM 0 HE2 PHE A 16 0.411 13.171 17.779 1.00 23.13 H new ATOM 0 HZ PHE A 16 2.260 14.768 17.481 1.00 3.35 H new ATOM 278 N LEU A 17 5.248 7.153 19.256 1.00 53.21 N ATOM 279 CA LEU A 17 5.747 5.907 19.853 1.00 72.10 C ATOM 280 C LEU A 17 7.281 5.863 19.866 1.00 21.14 C ATOM 281 O LEU A 17 7.943 6.778 19.371 1.00 63.51 O ATOM 282 CB LEU A 17 5.200 4.683 19.091 1.00 61.45 C ATOM 283 CG LEU A 17 5.706 4.495 17.643 1.00 21.11 C ATOM 284 CD1 LEU A 17 5.211 3.168 17.075 1.00 63.51 C ATOM 285 CD2 LEU A 17 5.271 5.653 16.744 1.00 52.41 C ATOM 0 H LEU A 17 5.896 7.592 18.602 1.00 53.21 H new ATOM 0 HA LEU A 17 5.394 5.877 20.884 1.00 72.10 H new ATOM 0 HB2 LEU A 17 5.449 3.787 19.659 1.00 61.45 H new ATOM 0 HB3 LEU A 17 4.113 4.753 19.067 1.00 61.45 H new ATOM 0 HG LEU A 17 6.796 4.484 17.670 1.00 21.11 H new ATOM 0 HD11 LEU A 17 5.576 3.050 16.055 1.00 63.51 H new ATOM 0 HD12 LEU A 17 5.582 2.348 17.690 1.00 63.51 H new ATOM 0 HD13 LEU A 17 4.121 3.156 17.074 1.00 63.51 H new ATOM 0 HD21 LEU A 17 5.644 5.489 15.733 1.00 52.41 H new ATOM 0 HD22 LEU A 17 4.183 5.710 16.725 1.00 52.41 H new ATOM 0 HD23 LEU A 17 5.676 6.587 17.133 1.00 52.41 H new ATOM 297 N ASP A 18 7.837 4.792 20.427 1.00 23.33 N ATOM 298 CA ASP A 18 9.291 4.605 20.475 1.00 22.20 C ATOM 299 C ASP A 18 9.884 4.427 19.065 1.00 44.21 C ATOM 300 O ASP A 18 9.325 3.698 18.240 1.00 74.45 O ATOM 301 CB ASP A 18 9.638 3.375 21.321 1.00 52.02 C ATOM 302 CG ASP A 18 9.179 3.502 22.758 1.00 53.03 C ATOM 303 OD1 ASP A 18 7.953 3.512 22.997 1.00 14.05 O ATOM 304 OD2 ASP A 18 10.038 3.587 23.661 1.00 4.33 O ATOM 0 H ASP A 18 7.304 4.036 20.857 1.00 23.33 H new ATOM 0 HA ASP A 18 9.721 5.500 20.924 1.00 22.20 H new ATOM 0 HB2 ASP A 18 9.180 2.492 20.875 1.00 52.02 H new ATOM 0 HB3 ASP A 18 10.717 3.219 21.301 1.00 52.02 H new ATOM 309 N PRO A 19 11.028 5.078 18.772 1.00 22.23 N ATOM 310 CA PRO A 19 11.726 4.911 17.485 1.00 73.32 C ATOM 311 C PRO A 19 12.020 3.432 17.177 1.00 43.21 C ATOM 312 O PRO A 19 11.735 2.944 16.084 1.00 72.23 O ATOM 313 CB PRO A 19 13.033 5.711 17.667 1.00 1.44 C ATOM 314 CG PRO A 19 13.136 5.991 19.134 1.00 20.43 C ATOM 315 CD PRO A 19 11.728 6.024 19.657 1.00 41.31 C ATOM 0 HA PRO A 19 11.127 5.261 16.645 1.00 73.32 H new ATOM 0 HB2 PRO A 19 13.893 5.141 17.316 1.00 1.44 H new ATOM 0 HB3 PRO A 19 13.008 6.637 17.092 1.00 1.44 H new ATOM 0 HG2 PRO A 19 13.720 5.220 19.637 1.00 20.43 H new ATOM 0 HG3 PRO A 19 13.640 6.941 19.314 1.00 20.43 H new ATOM 0 HD2 PRO A 19 11.677 5.714 20.701 1.00 41.31 H new ATOM 0 HD3 PRO A 19 11.299 7.024 19.600 1.00 41.31 H new ATOM 323 N ASP A 20 12.583 2.729 18.161 1.00 62.42 N ATOM 324 CA ASP A 20 12.832 1.287 18.058 1.00 4.13 C ATOM 325 C ASP A 20 11.543 0.512 17.730 1.00 3.40 C ATOM 326 O ASP A 20 11.518 -0.328 16.831 1.00 62.41 O ATOM 327 CB ASP A 20 13.421 0.787 19.381 1.00 62.43 C ATOM 328 CG ASP A 20 13.755 -0.693 19.366 1.00 33.34 C ATOM 329 OD1 ASP A 20 12.866 -1.512 19.694 1.00 65.12 O ATOM 330 OD2 ASP A 20 14.909 -1.042 19.038 1.00 4.30 O ATOM 0 H ASP A 20 12.878 3.138 19.047 1.00 62.42 H new ATOM 0 HA ASP A 20 13.536 1.114 17.244 1.00 4.13 H new ATOM 0 HB2 ASP A 20 14.324 1.354 19.606 1.00 62.43 H new ATOM 0 HB3 ASP A 20 12.712 0.985 20.185 1.00 62.43 H new ATOM 335 N THR A 21 10.475 0.804 18.469 1.00 40.13 N ATOM 336 CA THR A 21 9.194 0.112 18.285 1.00 10.11 C ATOM 337 C THR A 21 8.594 0.377 16.895 1.00 32.30 C ATOM 338 O THR A 21 8.026 -0.519 16.273 1.00 52.24 O ATOM 339 CB THR A 21 8.173 0.530 19.370 1.00 10.42 C ATOM 340 OG1 THR A 21 8.731 0.294 20.673 1.00 11.21 O ATOM 341 CG2 THR A 21 6.859 -0.240 19.236 1.00 12.24 C ATOM 0 H THR A 21 10.468 1.514 19.201 1.00 40.13 H new ATOM 0 HA THR A 21 9.401 -0.954 18.376 1.00 10.11 H new ATOM 0 HB THR A 21 7.960 1.591 19.237 1.00 10.42 H new ATOM 0 HG1 THR A 21 8.084 0.561 21.359 1.00 11.21 H new ATOM 0 HG21 THR A 21 6.168 0.081 20.015 1.00 12.24 H new ATOM 0 HG22 THR A 21 6.420 -0.043 18.258 1.00 12.24 H new ATOM 0 HG23 THR A 21 7.051 -1.308 19.339 1.00 12.24 H new ATOM 349 N ALA A 22 8.730 1.606 16.404 1.00 71.40 N ATOM 350 CA ALA A 22 8.223 1.967 15.075 1.00 31.01 C ATOM 351 C ALA A 22 8.881 1.126 13.965 1.00 54.24 C ATOM 352 O ALA A 22 8.228 0.754 12.986 1.00 71.11 O ATOM 353 CB ALA A 22 8.440 3.456 14.827 1.00 60.11 C ATOM 0 H ALA A 22 9.186 2.370 16.902 1.00 71.40 H new ATOM 0 HA ALA A 22 7.155 1.752 15.049 1.00 31.01 H new ATOM 0 HB1 ALA A 22 8.062 3.719 13.839 1.00 60.11 H new ATOM 0 HB2 ALA A 22 7.908 4.032 15.584 1.00 60.11 H new ATOM 0 HB3 ALA A 22 9.505 3.682 14.880 1.00 60.11 H new ATOM 359 N ILE A 23 10.169 0.824 14.138 1.00 14.13 N ATOM 360 CA ILE A 23 10.921 -0.008 13.186 1.00 73.34 C ATOM 361 C ILE A 23 10.215 -1.348 12.927 1.00 50.11 C ATOM 362 O ILE A 23 9.882 -1.673 11.782 1.00 43.14 O ATOM 363 CB ILE A 23 12.365 -0.272 13.697 1.00 45.44 C ATOM 364 CG1 ILE A 23 13.136 1.055 13.836 1.00 42.53 C ATOM 365 CG2 ILE A 23 13.111 -1.241 12.775 1.00 4.03 C ATOM 366 CD1 ILE A 23 14.538 0.898 14.392 1.00 52.34 C ATOM 0 H ILE A 23 10.720 1.144 14.934 1.00 14.13 H new ATOM 0 HA ILE A 23 10.969 0.545 12.248 1.00 73.34 H new ATOM 0 HB ILE A 23 12.297 -0.738 14.680 1.00 45.44 H new ATOM 0 HG12 ILE A 23 13.195 1.533 12.858 1.00 42.53 H new ATOM 0 HG13 ILE A 23 12.572 1.725 14.485 1.00 42.53 H new ATOM 0 HG21 ILE A 23 14.118 -1.406 13.159 1.00 4.03 H new ATOM 0 HG22 ILE A 23 12.577 -2.191 12.737 1.00 4.03 H new ATOM 0 HG23 ILE A 23 13.170 -0.817 11.773 1.00 4.03 H new ATOM 0 HD11 ILE A 23 15.014 1.876 14.459 1.00 52.34 H new ATOM 0 HD12 ILE A 23 14.488 0.450 15.384 1.00 52.34 H new ATOM 0 HD13 ILE A 23 15.121 0.255 13.733 1.00 52.34 H new ATOM 378 N GLU A 24 9.971 -2.114 13.993 1.00 22.43 N ATOM 379 CA GLU A 24 9.308 -3.414 13.860 1.00 33.40 C ATOM 380 C GLU A 24 7.900 -3.268 13.263 1.00 1.54 C ATOM 381 O GLU A 24 7.553 -3.961 12.312 1.00 61.11 O ATOM 382 CB GLU A 24 9.225 -4.147 15.213 1.00 2.14 C ATOM 383 CG GLU A 24 8.321 -3.476 16.242 1.00 41.34 C ATOM 384 CD GLU A 24 8.029 -4.360 17.442 1.00 65.42 C ATOM 385 OE1 GLU A 24 8.833 -4.364 18.397 1.00 44.43 O ATOM 386 OE2 GLU A 24 6.986 -5.056 17.440 1.00 43.11 O ATOM 0 H GLU A 24 10.220 -1.860 14.949 1.00 22.43 H new ATOM 0 HA GLU A 24 9.916 -4.009 13.179 1.00 33.40 H new ATOM 0 HB2 GLU A 24 8.867 -5.162 15.041 1.00 2.14 H new ATOM 0 HB3 GLU A 24 10.229 -4.230 15.629 1.00 2.14 H new ATOM 0 HG2 GLU A 24 8.791 -2.553 16.583 1.00 41.34 H new ATOM 0 HG3 GLU A 24 7.381 -3.198 15.765 1.00 41.34 H new ATOM 393 N ARG A 25 7.107 -2.343 13.809 1.00 71.31 N ATOM 394 CA ARG A 25 5.703 -2.178 13.404 1.00 4.24 C ATOM 395 C ARG A 25 5.568 -1.892 11.904 1.00 31.35 C ATOM 396 O ARG A 25 4.724 -2.480 11.223 1.00 43.24 O ATOM 397 CB ARG A 25 5.043 -1.056 14.217 1.00 52.51 C ATOM 398 CG ARG A 25 5.144 -1.263 15.722 1.00 23.51 C ATOM 399 CD ARG A 25 4.315 -0.249 16.500 1.00 34.14 C ATOM 400 NE ARG A 25 2.888 -0.391 16.230 1.00 3.22 N ATOM 401 CZ ARG A 25 2.113 -1.264 16.812 1.00 21.21 C ATOM 402 NH1 ARG A 25 2.583 -2.089 17.696 1.00 34.02 N ATOM 403 NH2 ARG A 25 0.862 -1.317 16.500 1.00 44.51 N ATOM 0 H ARG A 25 7.411 -1.694 14.535 1.00 71.31 H new ATOM 0 HA ARG A 25 5.193 -3.120 13.607 1.00 4.24 H new ATOM 0 HB2 ARG A 25 5.508 -0.106 13.956 1.00 52.51 H new ATOM 0 HB3 ARG A 25 3.992 -0.984 13.937 1.00 52.51 H new ATOM 0 HG2 ARG A 25 4.810 -2.270 15.972 1.00 23.51 H new ATOM 0 HG3 ARG A 25 6.187 -1.188 16.028 1.00 23.51 H new ATOM 0 HD2 ARG A 25 4.497 -0.374 17.567 1.00 34.14 H new ATOM 0 HD3 ARG A 25 4.635 0.759 16.238 1.00 34.14 H new ATOM 0 HE ARG A 25 2.469 0.233 15.541 1.00 3.22 H new ATOM 0 HH11 ARG A 25 3.572 -2.061 17.945 1.00 34.02 H new ATOM 0 HH12 ARG A 25 1.964 -2.766 18.142 1.00 34.02 H new ATOM 0 HH21 ARG A 25 0.483 -0.678 15.801 1.00 44.51 H new ATOM 0 HH22 ARG A 25 0.252 -1.998 16.952 1.00 44.51 H new ATOM 417 N LEU A 26 6.403 -0.992 11.396 1.00 10.24 N ATOM 418 CA LEU A 26 6.407 -0.669 9.968 1.00 54.35 C ATOM 419 C LEU A 26 6.802 -1.900 9.131 1.00 1.55 C ATOM 420 O LEU A 26 6.233 -2.153 8.067 1.00 50.23 O ATOM 421 CB LEU A 26 7.359 0.503 9.694 1.00 1.21 C ATOM 422 CG LEU A 26 7.305 1.075 8.268 1.00 71.22 C ATOM 423 CD1 LEU A 26 5.884 1.505 7.908 1.00 4.24 C ATOM 424 CD2 LEU A 26 8.269 2.249 8.128 1.00 53.51 C ATOM 0 H LEU A 26 7.086 -0.472 11.948 1.00 10.24 H new ATOM 0 HA LEU A 26 5.399 -0.374 9.676 1.00 54.35 H new ATOM 0 HB2 LEU A 26 7.134 1.304 10.398 1.00 1.21 H new ATOM 0 HB3 LEU A 26 8.379 0.176 9.898 1.00 1.21 H new ATOM 0 HG LEU A 26 7.609 0.291 7.575 1.00 71.22 H new ATOM 0 HD11 LEU A 26 5.871 1.906 6.895 1.00 4.24 H new ATOM 0 HD12 LEU A 26 5.218 0.644 7.966 1.00 4.24 H new ATOM 0 HD13 LEU A 26 5.548 2.272 8.606 1.00 4.24 H new ATOM 0 HD21 LEU A 26 8.218 2.642 7.113 1.00 53.51 H new ATOM 0 HD22 LEU A 26 7.994 3.032 8.835 1.00 53.51 H new ATOM 0 HD23 LEU A 26 9.285 1.913 8.337 1.00 53.51 H new ATOM 436 N GLN A 27 7.764 -2.674 9.635 1.00 52.13 N ATOM 437 CA GLN A 27 8.166 -3.931 8.988 1.00 4.43 C ATOM 438 C GLN A 27 7.007 -4.947 8.963 1.00 43.14 C ATOM 439 O GLN A 27 6.807 -5.651 7.973 1.00 34.11 O ATOM 440 CB GLN A 27 9.382 -4.530 9.711 1.00 12.34 C ATOM 441 CG GLN A 27 10.645 -3.682 9.593 1.00 4.01 C ATOM 442 CD GLN A 27 11.269 -3.732 8.206 1.00 61.42 C ATOM 443 OE1 GLN A 27 11.908 -2.652 7.797 1.00 0.01 O flip ATOM 444 NE2 GLN A 27 11.168 -4.730 7.501 1.00 54.23 N flip ATOM 0 H GLN A 27 8.280 -2.456 10.487 1.00 52.13 H new ATOM 0 HA GLN A 27 8.436 -3.707 7.956 1.00 4.43 H new ATOM 0 HB2 GLN A 27 9.139 -4.659 10.766 1.00 12.34 H new ATOM 0 HB3 GLN A 27 9.582 -5.522 9.306 1.00 12.34 H new ATOM 0 HG2 GLN A 27 10.406 -2.648 9.840 1.00 4.01 H new ATOM 0 HG3 GLN A 27 11.375 -4.024 10.326 1.00 4.01 H new ATOM 0 HE21 GLN A 27 10.668 -5.549 7.846 1.00 54.23 H new ATOM 0 HE22 GLN A 27 11.584 -4.741 6.570 1.00 54.23 H new ATOM 453 N ARG A 28 6.242 -5.006 10.056 1.00 4.44 N ATOM 454 CA ARG A 28 5.072 -5.897 10.141 1.00 14.11 C ATOM 455 C ARG A 28 4.025 -5.519 9.079 1.00 25.15 C ATOM 456 O ARG A 28 3.445 -6.386 8.422 1.00 41.30 O ATOM 457 CB ARG A 28 4.448 -5.826 11.546 1.00 23.23 C ATOM 458 CG ARG A 28 5.453 -6.021 12.681 1.00 41.15 C ATOM 459 CD ARG A 28 6.030 -7.437 12.731 1.00 5.14 C ATOM 460 NE ARG A 28 7.300 -7.488 13.467 1.00 41.11 N ATOM 461 CZ ARG A 28 7.430 -7.303 14.758 1.00 22.53 C ATOM 462 NH1 ARG A 28 6.404 -7.043 15.504 1.00 51.12 N ATOM 463 NH2 ARG A 28 8.600 -7.370 15.305 1.00 0.33 N ATOM 0 H ARG A 28 6.408 -4.450 10.895 1.00 4.44 H new ATOM 0 HA ARG A 28 5.404 -6.918 9.953 1.00 14.11 H new ATOM 0 HB2 ARG A 28 3.961 -4.859 11.668 1.00 23.23 H new ATOM 0 HB3 ARG A 28 3.672 -6.587 11.627 1.00 23.23 H new ATOM 0 HG2 ARG A 28 6.268 -5.306 12.564 1.00 41.15 H new ATOM 0 HG3 ARG A 28 4.967 -5.799 13.631 1.00 41.15 H new ATOM 0 HD2 ARG A 28 5.310 -8.105 13.203 1.00 5.14 H new ATOM 0 HD3 ARG A 28 6.185 -7.802 11.715 1.00 5.14 H new ATOM 0 HE ARG A 28 8.146 -7.682 12.932 1.00 41.11 H new ATOM 0 HH11 ARG A 28 5.475 -6.979 15.089 1.00 51.12 H new ATOM 0 HH12 ARG A 28 6.525 -6.902 16.507 1.00 51.12 H new ATOM 0 HH21 ARG A 28 9.420 -7.567 14.732 1.00 0.33 H new ATOM 0 HH22 ARG A 28 8.702 -7.226 16.310 1.00 0.33 H new ATOM 477 N LEU A 29 3.796 -4.215 8.914 1.00 24.04 N ATOM 478 CA LEU A 29 2.883 -3.709 7.881 1.00 30.04 C ATOM 479 C LEU A 29 3.399 -4.038 6.469 1.00 41.34 C ATOM 480 O LEU A 29 2.621 -4.372 5.576 1.00 1.45 O ATOM 481 CB LEU A 29 2.694 -2.193 8.034 1.00 40.32 C ATOM 482 CG LEU A 29 2.016 -1.742 9.340 1.00 55.52 C ATOM 483 CD1 LEU A 29 1.961 -0.219 9.423 1.00 52.01 C ATOM 484 CD2 LEU A 29 0.615 -2.340 9.451 1.00 54.15 C ATOM 0 H LEU A 29 4.230 -3.487 9.482 1.00 24.04 H new ATOM 0 HA LEU A 29 1.921 -4.204 8.013 1.00 30.04 H new ATOM 0 HB2 LEU A 29 3.670 -1.713 7.967 1.00 40.32 H new ATOM 0 HB3 LEU A 29 2.102 -1.831 7.193 1.00 40.32 H new ATOM 0 HG LEU A 29 2.611 -2.106 10.178 1.00 55.52 H new ATOM 0 HD11 LEU A 29 1.478 0.077 10.354 1.00 52.01 H new ATOM 0 HD12 LEU A 29 2.974 0.184 9.395 1.00 52.01 H new ATOM 0 HD13 LEU A 29 1.392 0.171 8.579 1.00 52.01 H new ATOM 0 HD21 LEU A 29 0.151 -2.010 10.381 1.00 54.15 H new ATOM 0 HD22 LEU A 29 0.010 -2.009 8.606 1.00 54.15 H new ATOM 0 HD23 LEU A 29 0.682 -3.428 9.445 1.00 54.15 H new ATOM 496 N GLN A 30 4.715 -3.937 6.280 1.00 21.15 N ATOM 497 CA GLN A 30 5.357 -4.322 5.016 1.00 60.11 C ATOM 498 C GLN A 30 5.013 -5.775 4.641 1.00 71.24 C ATOM 499 O GLN A 30 4.516 -6.045 3.545 1.00 55.24 O ATOM 500 CB GLN A 30 6.882 -4.151 5.137 1.00 31.32 C ATOM 501 CG GLN A 30 7.679 -4.619 3.917 1.00 51.33 C ATOM 502 CD GLN A 30 7.409 -3.803 2.663 1.00 2.43 C ATOM 503 OE1 GLN A 30 7.077 -2.625 2.727 1.00 25.31 O ATOM 504 NE2 GLN A 30 7.576 -4.415 1.507 1.00 35.24 N ATOM 0 H GLN A 30 5.363 -3.591 6.988 1.00 21.15 H new ATOM 0 HA GLN A 30 4.981 -3.673 4.225 1.00 60.11 H new ATOM 0 HB2 GLN A 30 7.102 -3.099 5.316 1.00 31.32 H new ATOM 0 HB3 GLN A 30 7.227 -4.702 6.012 1.00 31.32 H new ATOM 0 HG2 GLN A 30 8.743 -4.572 4.149 1.00 51.33 H new ATOM 0 HG3 GLN A 30 7.442 -5.664 3.718 1.00 51.33 H new ATOM 0 HE21 GLN A 30 7.853 -5.396 1.485 1.00 35.24 H new ATOM 0 HE22 GLN A 30 7.428 -3.907 0.635 1.00 35.24 H new ATOM 513 N GLN A 31 5.265 -6.704 5.568 1.00 42.22 N ATOM 514 CA GLN A 31 4.963 -8.126 5.342 1.00 24.53 C ATOM 515 C GLN A 31 3.465 -8.334 5.047 1.00 50.12 C ATOM 516 O GLN A 31 3.093 -9.122 4.175 1.00 20.13 O ATOM 517 CB GLN A 31 5.372 -8.974 6.563 1.00 61.23 C ATOM 518 CG GLN A 31 6.781 -8.695 7.090 1.00 70.34 C ATOM 519 CD GLN A 31 7.869 -8.783 6.027 1.00 42.12 C ATOM 520 OE1 GLN A 31 7.689 -9.639 5.039 1.00 62.11 O flip ATOM 521 NE2 GLN A 31 8.881 -8.096 6.106 1.00 50.52 N flip ATOM 0 H GLN A 31 5.676 -6.501 6.479 1.00 42.22 H new ATOM 0 HA GLN A 31 5.539 -8.450 4.475 1.00 24.53 H new ATOM 0 HB2 GLN A 31 4.657 -8.799 7.366 1.00 61.23 H new ATOM 0 HB3 GLN A 31 5.300 -10.029 6.297 1.00 61.23 H new ATOM 0 HG2 GLN A 31 6.801 -7.700 7.534 1.00 70.34 H new ATOM 0 HG3 GLN A 31 7.007 -9.404 7.886 1.00 70.34 H new ATOM 0 HE21 GLN A 31 8.994 -7.442 6.881 1.00 50.52 H new ATOM 0 HE22 GLN A 31 9.610 -8.178 5.397 1.00 50.52 H new ATOM 530 N ALA A 32 2.615 -7.619 5.783 1.00 74.33 N ATOM 531 CA ALA A 32 1.164 -7.680 5.577 1.00 4.24 C ATOM 532 C ALA A 32 0.776 -7.230 4.158 1.00 63.11 C ATOM 533 O ALA A 32 -0.017 -7.887 3.478 1.00 54.54 O ATOM 534 CB ALA A 32 0.450 -6.826 6.624 1.00 13.01 C ATOM 0 H ALA A 32 2.905 -6.988 6.530 1.00 74.33 H new ATOM 0 HA ALA A 32 0.850 -8.718 5.690 1.00 4.24 H new ATOM 0 HB1 ALA A 32 -0.627 -6.878 6.463 1.00 13.01 H new ATOM 0 HB2 ALA A 32 0.686 -7.199 7.621 1.00 13.01 H new ATOM 0 HB3 ALA A 32 0.781 -5.791 6.536 1.00 13.01 H new ATOM 540 N LEU A 33 1.353 -6.112 3.720 1.00 1.33 N ATOM 541 CA LEU A 33 1.127 -5.592 2.367 1.00 52.44 C ATOM 542 C LEU A 33 1.534 -6.627 1.306 1.00 35.34 C ATOM 543 O LEU A 33 0.835 -6.824 0.307 1.00 41.12 O ATOM 544 CB LEU A 33 1.914 -4.286 2.168 1.00 24.42 C ATOM 545 CG LEU A 33 1.747 -3.603 0.798 1.00 74.51 C ATOM 546 CD1 LEU A 33 0.290 -3.220 0.551 1.00 31.02 C ATOM 547 CD2 LEU A 33 2.654 -2.378 0.696 1.00 40.54 C ATOM 0 H LEU A 33 1.985 -5.544 4.284 1.00 1.33 H new ATOM 0 HA LEU A 33 0.063 -5.388 2.250 1.00 52.44 H new ATOM 0 HB2 LEU A 33 1.613 -3.581 2.943 1.00 24.42 H new ATOM 0 HB3 LEU A 33 2.973 -4.495 2.321 1.00 24.42 H new ATOM 0 HG LEU A 33 2.041 -4.314 0.026 1.00 74.51 H new ATOM 0 HD11 LEU A 33 0.200 -2.740 -0.423 1.00 31.02 H new ATOM 0 HD12 LEU A 33 -0.330 -4.116 0.572 1.00 31.02 H new ATOM 0 HD13 LEU A 33 -0.042 -2.531 1.327 1.00 31.02 H new ATOM 0 HD21 LEU A 33 2.523 -1.908 -0.279 1.00 40.54 H new ATOM 0 HD22 LEU A 33 2.394 -1.667 1.480 1.00 40.54 H new ATOM 0 HD23 LEU A 33 3.693 -2.684 0.814 1.00 40.54 H new ATOM 559 N GLU A 34 2.665 -7.296 1.539 1.00 74.44 N ATOM 560 CA GLU A 34 3.128 -8.362 0.644 1.00 31.25 C ATOM 561 C GLU A 34 2.127 -9.529 0.595 1.00 11.20 C ATOM 562 O GLU A 34 1.907 -10.120 -0.462 1.00 32.40 O ATOM 563 CB GLU A 34 4.512 -8.872 1.068 1.00 62.45 C ATOM 564 CG GLU A 34 5.614 -7.819 0.981 1.00 61.15 C ATOM 565 CD GLU A 34 7.005 -8.409 1.166 1.00 34.53 C ATOM 566 OE1 GLU A 34 7.476 -8.506 2.319 1.00 11.02 O ATOM 567 OE2 GLU A 34 7.631 -8.792 0.152 1.00 53.43 O ATOM 0 H GLU A 34 3.276 -7.120 2.336 1.00 74.44 H new ATOM 0 HA GLU A 34 3.204 -7.936 -0.356 1.00 31.25 H new ATOM 0 HB2 GLU A 34 4.454 -9.239 2.093 1.00 62.45 H new ATOM 0 HB3 GLU A 34 4.784 -9.720 0.440 1.00 62.45 H new ATOM 0 HG2 GLU A 34 5.560 -7.322 0.012 1.00 61.15 H new ATOM 0 HG3 GLU A 34 5.443 -7.056 1.741 1.00 61.15 H new ATOM 574 N MET A 35 1.518 -9.856 1.737 1.00 0.51 N ATOM 575 CA MET A 35 0.482 -10.899 1.782 1.00 72.31 C ATOM 576 C MET A 35 -0.759 -10.477 0.976 1.00 72.40 C ATOM 577 O MET A 35 -1.371 -11.292 0.278 1.00 33.13 O ATOM 578 CB MET A 35 0.084 -11.222 3.231 1.00 2.14 C ATOM 579 CG MET A 35 1.221 -11.779 4.078 1.00 41.35 C ATOM 580 SD MET A 35 0.650 -12.482 5.644 1.00 15.45 S ATOM 581 CE MET A 35 -0.127 -11.062 6.414 1.00 11.32 C ATOM 0 H MET A 35 1.719 -9.420 2.637 1.00 0.51 H new ATOM 0 HA MET A 35 0.902 -11.798 1.331 1.00 72.31 H new ATOM 0 HB2 MET A 35 -0.296 -10.316 3.703 1.00 2.14 H new ATOM 0 HB3 MET A 35 -0.734 -11.943 3.220 1.00 2.14 H new ATOM 0 HG2 MET A 35 1.748 -12.547 3.511 1.00 41.35 H new ATOM 0 HG3 MET A 35 1.939 -10.984 4.282 1.00 41.35 H new ATOM 0 HE1 MET A 35 -0.829 -11.400 7.176 1.00 11.32 H new ATOM 0 HE2 MET A 35 0.636 -10.436 6.876 1.00 11.32 H new ATOM 0 HE3 MET A 35 -0.661 -10.486 5.659 1.00 11.32 H new ATOM 591 N GLY A 36 -1.124 -9.197 1.071 1.00 23.24 N ATOM 592 CA GLY A 36 -2.234 -8.672 0.282 1.00 55.34 C ATOM 593 C GLY A 36 -2.009 -8.829 -1.217 1.00 54.35 C ATOM 594 O GLY A 36 -2.869 -9.343 -1.936 1.00 64.03 O ATOM 0 H GLY A 36 -0.672 -8.514 1.679 1.00 23.24 H new ATOM 0 HA2 GLY A 36 -3.152 -9.187 0.564 1.00 55.34 H new ATOM 0 HA3 GLY A 36 -2.375 -7.617 0.517 1.00 55.34 H new ATOM 598 N VAL A 37 -0.842 -8.399 -1.687 1.00 2.44 N ATOM 599 CA VAL A 37 -0.461 -8.575 -3.091 1.00 71.54 C ATOM 600 C VAL A 37 -0.360 -10.070 -3.449 1.00 5.14 C ATOM 601 O VAL A 37 -0.817 -10.504 -4.507 1.00 23.21 O ATOM 602 CB VAL A 37 0.886 -7.870 -3.388 1.00 1.53 C ATOM 603 CG1 VAL A 37 1.277 -8.032 -4.855 1.00 44.03 C ATOM 604 CG2 VAL A 37 0.807 -6.392 -3.002 1.00 43.41 C ATOM 0 H VAL A 37 -0.141 -7.925 -1.118 1.00 2.44 H new ATOM 0 HA VAL A 37 -1.238 -8.120 -3.706 1.00 71.54 H new ATOM 0 HB VAL A 37 1.662 -8.342 -2.785 1.00 1.53 H new ATOM 0 HG11 VAL A 37 2.226 -7.528 -5.036 1.00 44.03 H new ATOM 0 HG12 VAL A 37 1.378 -9.092 -5.090 1.00 44.03 H new ATOM 0 HG13 VAL A 37 0.506 -7.592 -5.488 1.00 44.03 H new ATOM 0 HG21 VAL A 37 1.760 -5.909 -3.216 1.00 43.41 H new ATOM 0 HG22 VAL A 37 0.017 -5.908 -3.577 1.00 43.41 H new ATOM 0 HG23 VAL A 37 0.587 -6.305 -1.938 1.00 43.41 H new ATOM 614 N SER A 38 0.217 -10.856 -2.538 1.00 45.54 N ATOM 615 CA SER A 38 0.344 -12.314 -2.721 1.00 43.34 C ATOM 616 C SER A 38 -1.031 -12.963 -2.935 1.00 22.53 C ATOM 617 O SER A 38 -1.166 -13.943 -3.676 1.00 22.32 O ATOM 618 CB SER A 38 1.036 -12.951 -1.505 1.00 71.13 C ATOM 619 OG SER A 38 1.235 -14.349 -1.686 1.00 3.33 O ATOM 0 H SER A 38 0.607 -10.511 -1.661 1.00 45.54 H new ATOM 0 HA SER A 38 0.952 -12.487 -3.609 1.00 43.34 H new ATOM 0 HB2 SER A 38 1.997 -12.465 -1.337 1.00 71.13 H new ATOM 0 HB3 SER A 38 0.433 -12.782 -0.613 1.00 71.13 H new ATOM 0 HG SER A 38 1.678 -14.721 -0.895 1.00 3.33 H new ATOM 625 N SER A 39 -2.048 -12.406 -2.280 1.00 62.50 N ATOM 626 CA SER A 39 -3.435 -12.863 -2.452 1.00 10.34 C ATOM 627 C SER A 39 -3.911 -12.653 -3.899 1.00 62.13 C ATOM 628 O SER A 39 -4.653 -13.470 -4.444 1.00 54.31 O ATOM 629 CB SER A 39 -4.370 -12.117 -1.487 1.00 34.22 C ATOM 630 OG SER A 39 -4.026 -12.358 -0.127 1.00 12.05 O ATOM 0 H SER A 39 -1.942 -11.634 -1.622 1.00 62.50 H new ATOM 0 HA SER A 39 -3.464 -13.929 -2.228 1.00 10.34 H new ATOM 0 HB2 SER A 39 -4.323 -11.047 -1.690 1.00 34.22 H new ATOM 0 HB3 SER A 39 -5.399 -12.430 -1.663 1.00 34.22 H new ATOM 0 HG SER A 39 -3.133 -11.996 0.054 1.00 12.05 H new ATOM 636 N LEU A 40 -3.468 -11.555 -4.512 1.00 2.43 N ATOM 637 CA LEU A 40 -3.805 -11.246 -5.907 1.00 52.34 C ATOM 638 C LEU A 40 -3.050 -12.173 -6.877 1.00 20.13 C ATOM 639 O LEU A 40 -3.632 -12.711 -7.822 1.00 4.12 O ATOM 640 CB LEU A 40 -3.475 -9.777 -6.209 1.00 73.43 C ATOM 641 CG LEU A 40 -3.845 -9.294 -7.624 1.00 21.42 C ATOM 642 CD1 LEU A 40 -5.354 -9.366 -7.846 1.00 50.42 C ATOM 643 CD2 LEU A 40 -3.325 -7.877 -7.865 1.00 51.11 C ATOM 0 H LEU A 40 -2.872 -10.860 -4.064 1.00 2.43 H new ATOM 0 HA LEU A 40 -4.873 -11.411 -6.048 1.00 52.34 H new ATOM 0 HB2 LEU A 40 -3.992 -9.150 -5.483 1.00 73.43 H new ATOM 0 HB3 LEU A 40 -2.406 -9.624 -6.059 1.00 73.43 H new ATOM 0 HG LEU A 40 -3.367 -9.957 -8.345 1.00 21.42 H new ATOM 0 HD11 LEU A 40 -5.591 -9.020 -8.852 1.00 50.42 H new ATOM 0 HD12 LEU A 40 -5.690 -10.396 -7.728 1.00 50.42 H new ATOM 0 HD13 LEU A 40 -5.860 -8.733 -7.116 1.00 50.42 H new ATOM 0 HD21 LEU A 40 -3.597 -7.556 -8.870 1.00 51.11 H new ATOM 0 HD22 LEU A 40 -3.766 -7.198 -7.135 1.00 51.11 H new ATOM 0 HD23 LEU A 40 -2.240 -7.865 -7.762 1.00 51.11 H new ATOM 655 N MET A 41 -1.748 -12.353 -6.637 1.00 3.24 N ATOM 656 CA MET A 41 -0.925 -13.279 -7.434 1.00 21.53 C ATOM 657 C MET A 41 -1.501 -14.708 -7.434 1.00 65.24 C ATOM 658 O MET A 41 -1.368 -15.439 -8.414 1.00 31.40 O ATOM 659 CB MET A 41 0.520 -13.298 -6.908 1.00 40.25 C ATOM 660 CG MET A 41 1.374 -12.105 -7.340 1.00 14.11 C ATOM 661 SD MET A 41 0.610 -10.504 -7.002 1.00 74.30 S ATOM 662 CE MET A 41 -0.168 -10.128 -8.574 1.00 3.30 C ATOM 0 H MET A 41 -1.237 -11.871 -5.897 1.00 3.24 H new ATOM 0 HA MET A 41 -0.933 -12.917 -8.462 1.00 21.53 H new ATOM 0 HB2 MET A 41 0.495 -13.334 -5.819 1.00 40.25 H new ATOM 0 HB3 MET A 41 1.003 -14.215 -7.246 1.00 40.25 H new ATOM 0 HG2 MET A 41 2.335 -12.154 -6.829 1.00 14.11 H new ATOM 0 HG3 MET A 41 1.577 -12.183 -8.408 1.00 14.11 H new ATOM 0 HE1 MET A 41 -0.298 -9.050 -8.667 1.00 3.30 H new ATOM 0 HE2 MET A 41 0.461 -10.489 -9.387 1.00 3.30 H new ATOM 0 HE3 MET A 41 -1.141 -10.616 -8.624 1.00 3.30 H new ATOM 672 N ALA A 42 -2.146 -15.096 -6.334 1.00 15.14 N ATOM 673 CA ALA A 42 -2.777 -16.420 -6.227 1.00 64.41 C ATOM 674 C ALA A 42 -4.026 -16.543 -7.122 1.00 31.04 C ATOM 675 O ALA A 42 -4.603 -17.624 -7.258 1.00 74.25 O ATOM 676 CB ALA A 42 -3.144 -16.707 -4.775 1.00 41.34 C ATOM 0 H ALA A 42 -2.248 -14.515 -5.502 1.00 15.14 H new ATOM 0 HA ALA A 42 -2.053 -17.156 -6.575 1.00 64.41 H new ATOM 0 HB1 ALA A 42 -3.611 -17.690 -4.705 1.00 41.34 H new ATOM 0 HB2 ALA A 42 -2.243 -16.689 -4.162 1.00 41.34 H new ATOM 0 HB3 ALA A 42 -3.841 -15.948 -4.419 1.00 41.34 H new ATOM 682 N LEU A 43 -4.449 -15.426 -7.709 1.00 32.44 N ATOM 683 CA LEU A 43 -5.637 -15.388 -8.573 1.00 72.43 C ATOM 684 C LEU A 43 -5.274 -15.098 -10.041 1.00 60.43 C ATOM 685 O LEU A 43 -5.942 -15.573 -10.963 1.00 20.41 O ATOM 686 CB LEU A 43 -6.603 -14.318 -8.051 1.00 14.23 C ATOM 687 CG LEU A 43 -7.186 -14.598 -6.658 1.00 14.15 C ATOM 688 CD1 LEU A 43 -7.800 -13.339 -6.066 1.00 43.32 C ATOM 689 CD2 LEU A 43 -8.223 -15.714 -6.730 1.00 2.50 C ATOM 0 H LEU A 43 -3.984 -14.524 -7.603 1.00 32.44 H new ATOM 0 HA LEU A 43 -6.110 -16.370 -8.545 1.00 72.43 H new ATOM 0 HB2 LEU A 43 -6.082 -13.361 -8.025 1.00 14.23 H new ATOM 0 HB3 LEU A 43 -7.425 -14.215 -8.759 1.00 14.23 H new ATOM 0 HG LEU A 43 -6.374 -14.919 -6.006 1.00 14.15 H new ATOM 0 HD11 LEU A 43 -8.206 -13.562 -5.079 1.00 43.32 H new ATOM 0 HD12 LEU A 43 -7.035 -12.568 -5.978 1.00 43.32 H new ATOM 0 HD13 LEU A 43 -8.600 -12.984 -6.716 1.00 43.32 H new ATOM 0 HD21 LEU A 43 -8.627 -15.900 -5.735 1.00 2.50 H new ATOM 0 HD22 LEU A 43 -9.031 -15.418 -7.399 1.00 2.50 H new ATOM 0 HD23 LEU A 43 -7.754 -16.623 -7.107 1.00 2.50 H new ATOM 701 N VAL A 44 -4.213 -14.318 -10.249 1.00 53.43 N ATOM 702 CA VAL A 44 -3.790 -13.925 -11.600 1.00 51.32 C ATOM 703 C VAL A 44 -2.809 -14.942 -12.214 1.00 53.03 C ATOM 704 O VAL A 44 -1.700 -15.144 -11.713 1.00 43.41 O ATOM 705 CB VAL A 44 -3.134 -12.519 -11.596 1.00 61.41 C ATOM 706 CG1 VAL A 44 -2.751 -12.087 -13.013 1.00 41.13 C ATOM 707 CG2 VAL A 44 -4.061 -11.490 -10.947 1.00 24.12 C ATOM 0 H VAL A 44 -3.629 -13.944 -9.501 1.00 53.43 H new ATOM 0 HA VAL A 44 -4.692 -13.900 -12.212 1.00 51.32 H new ATOM 0 HB VAL A 44 -2.220 -12.576 -11.004 1.00 61.41 H new ATOM 0 HG11 VAL A 44 -2.293 -11.098 -12.981 1.00 41.13 H new ATOM 0 HG12 VAL A 44 -2.042 -12.801 -13.432 1.00 41.13 H new ATOM 0 HG13 VAL A 44 -3.644 -12.053 -13.637 1.00 41.13 H new ATOM 0 HG21 VAL A 44 -3.581 -10.512 -10.955 1.00 24.12 H new ATOM 0 HG22 VAL A 44 -4.996 -11.440 -11.505 1.00 24.12 H new ATOM 0 HG23 VAL A 44 -4.268 -11.784 -9.918 1.00 24.12 H new ATOM 865 N MET A 54 -11.951 -16.826 -15.262 1.00 71.44 N ATOM 866 CA MET A 54 -12.010 -15.558 -14.527 1.00 72.30 C ATOM 867 C MET A 54 -13.199 -15.525 -13.557 1.00 5.34 C ATOM 868 O MET A 54 -13.063 -15.099 -12.407 1.00 43.24 O ATOM 869 CB MET A 54 -12.103 -14.372 -15.496 1.00 72.24 C ATOM 870 CG MET A 54 -12.159 -13.020 -14.795 1.00 23.04 C ATOM 871 SD MET A 54 -12.362 -11.646 -15.940 1.00 40.54 S ATOM 872 CE MET A 54 -12.368 -10.267 -14.798 1.00 71.24 C ATOM 0 HA MET A 54 -11.090 -15.477 -13.948 1.00 72.30 H new ATOM 0 HB2 MET A 54 -11.243 -14.391 -16.165 1.00 72.24 H new ATOM 0 HB3 MET A 54 -12.992 -14.488 -16.116 1.00 72.24 H new ATOM 0 HG2 MET A 54 -12.985 -13.019 -14.084 1.00 23.04 H new ATOM 0 HG3 MET A 54 -11.244 -12.876 -14.221 1.00 23.04 H new ATOM 0 HE1 MET A 54 -12.044 -9.364 -15.316 1.00 71.24 H new ATOM 0 HE2 MET A 54 -13.376 -10.121 -14.410 1.00 71.24 H new ATOM 0 HE3 MET A 54 -11.688 -10.475 -13.972 1.00 71.24 H new ATOM 882 N GLU A 55 -14.361 -15.985 -14.019 1.00 2.51 N ATOM 883 CA GLU A 55 -15.575 -15.982 -13.194 1.00 23.44 C ATOM 884 C GLU A 55 -15.399 -16.837 -11.926 1.00 32.24 C ATOM 885 O GLU A 55 -15.931 -16.513 -10.866 1.00 11.12 O ATOM 886 CB GLU A 55 -16.786 -16.476 -13.999 1.00 0.34 C ATOM 887 CG GLU A 55 -18.106 -16.347 -13.242 1.00 3.22 C ATOM 888 CD GLU A 55 -19.301 -16.851 -14.034 1.00 23.41 C ATOM 889 OE1 GLU A 55 -19.543 -18.074 -14.033 1.00 2.30 O ATOM 890 OE2 GLU A 55 -20.012 -16.026 -14.646 1.00 11.22 O ATOM 0 H GLU A 55 -14.490 -16.364 -14.957 1.00 2.51 H new ATOM 0 HA GLU A 55 -15.754 -14.952 -12.886 1.00 23.44 H new ATOM 0 HB2 GLU A 55 -16.851 -15.910 -14.929 1.00 0.34 H new ATOM 0 HB3 GLU A 55 -16.631 -17.520 -14.271 1.00 0.34 H new ATOM 0 HG2 GLU A 55 -18.037 -16.903 -12.307 1.00 3.22 H new ATOM 0 HG3 GLU A 55 -18.267 -15.301 -12.980 1.00 3.22 H new ATOM 897 N ARG A 56 -14.627 -17.919 -12.030 1.00 71.22 N ATOM 898 CA ARG A 56 -14.351 -18.781 -10.872 1.00 0.23 C ATOM 899 C ARG A 56 -13.349 -18.137 -9.893 1.00 70.32 C ATOM 900 O ARG A 56 -12.991 -18.732 -8.874 1.00 45.22 O ATOM 901 CB ARG A 56 -13.842 -20.152 -11.339 1.00 65.41 C ATOM 902 CG ARG A 56 -14.891 -20.965 -12.092 1.00 42.42 C ATOM 903 CD ARG A 56 -16.125 -21.226 -11.231 1.00 35.44 C ATOM 904 NE ARG A 56 -17.175 -21.924 -11.966 1.00 35.01 N ATOM 905 CZ ARG A 56 -18.427 -21.969 -11.597 1.00 65.23 C ATOM 906 NH1 ARG A 56 -18.827 -21.376 -10.515 1.00 41.24 N ATOM 907 NH2 ARG A 56 -19.284 -22.610 -12.319 1.00 24.14 N ATOM 0 H ARG A 56 -14.182 -18.221 -12.897 1.00 71.22 H new ATOM 0 HA ARG A 56 -15.289 -18.912 -10.332 1.00 0.23 H new ATOM 0 HB2 ARG A 56 -12.974 -20.009 -11.982 1.00 65.41 H new ATOM 0 HB3 ARG A 56 -13.506 -20.721 -10.472 1.00 65.41 H new ATOM 0 HG2 ARG A 56 -15.184 -20.433 -12.997 1.00 42.42 H new ATOM 0 HG3 ARG A 56 -14.459 -21.915 -12.407 1.00 42.42 H new ATOM 0 HD2 ARG A 56 -15.840 -21.817 -10.360 1.00 35.44 H new ATOM 0 HD3 ARG A 56 -16.513 -20.278 -10.859 1.00 35.44 H new ATOM 0 HE ARG A 56 -16.914 -22.409 -12.825 1.00 35.01 H new ATOM 0 HH11 ARG A 56 -18.160 -20.864 -9.937 1.00 41.24 H new ATOM 0 HH12 ARG A 56 -19.809 -21.421 -10.242 1.00 41.24 H new ATOM 0 HH21 ARG A 56 -18.982 -23.078 -13.173 1.00 24.14 H new ATOM 0 HH22 ARG A 56 -20.263 -22.648 -12.035 1.00 24.14 H new ATOM 921 N HIS A 57 -12.878 -16.933 -10.218 1.00 24.04 N ATOM 922 CA HIS A 57 -12.052 -16.147 -9.292 1.00 12.42 C ATOM 923 C HIS A 57 -12.615 -14.726 -9.087 1.00 63.14 C ATOM 924 O HIS A 57 -12.107 -13.974 -8.256 1.00 71.41 O ATOM 925 CB HIS A 57 -10.604 -16.058 -9.795 1.00 5.20 C ATOM 926 CG HIS A 57 -9.888 -17.376 -9.836 1.00 61.35 C ATOM 927 ND1 HIS A 57 -9.607 -18.119 -8.709 1.00 35.45 N ATOM 928 CD2 HIS A 57 -9.378 -18.077 -10.875 1.00 2.33 C ATOM 929 CE1 HIS A 57 -8.956 -19.211 -9.051 1.00 4.42 C ATOM 930 NE2 HIS A 57 -8.800 -19.212 -10.360 1.00 11.42 N ATOM 0 H HIS A 57 -13.052 -16.478 -11.114 1.00 24.04 H new ATOM 0 HA HIS A 57 -12.070 -16.664 -8.332 1.00 12.42 H new ATOM 0 HB2 HIS A 57 -10.604 -15.625 -10.795 1.00 5.20 H new ATOM 0 HB3 HIS A 57 -10.049 -15.375 -9.152 1.00 5.20 H new ATOM 0 HD2 HIS A 57 -9.418 -17.796 -11.917 1.00 2.33 H new ATOM 0 HE1 HIS A 57 -8.608 -19.977 -8.373 1.00 4.42 H new ATOM 0 HE2 HIS A 57 -8.328 -19.936 -10.901 1.00 11.42 H new ATOM 939 N ILE A 58 -13.664 -14.366 -9.836 1.00 30.45 N ATOM 940 CA ILE A 58 -14.200 -12.991 -9.814 1.00 22.21 C ATOM 941 C ILE A 58 -14.661 -12.568 -8.407 1.00 64.30 C ATOM 942 O ILE A 58 -14.529 -11.408 -8.019 1.00 42.42 O ATOM 943 CB ILE A 58 -15.377 -12.812 -10.816 1.00 43.30 C ATOM 944 CG1 ILE A 58 -15.721 -11.321 -11.001 1.00 71.22 C ATOM 945 CG2 ILE A 58 -16.611 -13.592 -10.359 1.00 44.20 C ATOM 946 CD1 ILE A 58 -14.620 -10.518 -11.663 1.00 23.11 C ATOM 0 H ILE A 58 -14.159 -15.000 -10.463 1.00 30.45 H new ATOM 0 HA ILE A 58 -13.375 -12.346 -10.117 1.00 22.21 H new ATOM 0 HB ILE A 58 -15.057 -13.212 -11.778 1.00 43.30 H new ATOM 0 HG12 ILE A 58 -16.628 -11.238 -11.599 1.00 71.22 H new ATOM 0 HG13 ILE A 58 -15.941 -10.885 -10.027 1.00 71.22 H new ATOM 0 HG21 ILE A 58 -17.418 -13.449 -11.077 1.00 44.20 H new ATOM 0 HG22 ILE A 58 -16.367 -14.652 -10.293 1.00 44.20 H new ATOM 0 HG23 ILE A 58 -16.928 -13.231 -9.381 1.00 44.20 H new ATOM 0 HD11 ILE A 58 -14.935 -9.479 -11.759 1.00 23.11 H new ATOM 0 HD12 ILE A 58 -13.717 -10.569 -11.055 1.00 23.11 H new ATOM 0 HD13 ILE A 58 -14.415 -10.928 -12.652 1.00 23.11 H new ATOM 958 N ASN A 59 -15.195 -13.513 -7.641 1.00 74.45 N ATOM 959 CA ASN A 59 -15.632 -13.237 -6.269 1.00 3.04 C ATOM 960 C ASN A 59 -14.428 -13.102 -5.322 1.00 53.15 C ATOM 961 O ASN A 59 -14.382 -12.205 -4.476 1.00 33.12 O ATOM 962 CB ASN A 59 -16.584 -14.342 -5.782 1.00 25.11 C ATOM 963 CG ASN A 59 -15.964 -15.729 -5.845 1.00 72.50 C ATOM 964 OD1 ASN A 59 -15.107 -16.007 -6.680 1.00 2.12 O ATOM 965 ND2 ASN A 59 -16.391 -16.611 -4.966 1.00 64.01 N ATOM 0 H ASN A 59 -15.337 -14.477 -7.942 1.00 74.45 H new ATOM 0 HA ASN A 59 -16.167 -12.288 -6.265 1.00 3.04 H new ATOM 0 HB2 ASN A 59 -16.883 -14.130 -4.756 1.00 25.11 H new ATOM 0 HB3 ASN A 59 -17.490 -14.327 -6.388 1.00 25.11 H new ATOM 0 HD21 ASN A 59 -16.009 -17.557 -4.966 1.00 64.01 H new ATOM 0 HD22 ASN A 59 -17.104 -16.349 -4.285 1.00 64.01 H new ATOM 972 N GLU A 60 -13.451 -13.987 -5.488 1.00 14.41 N ATOM 973 CA GLU A 60 -12.244 -13.990 -4.655 1.00 22.52 C ATOM 974 C GLU A 60 -11.393 -12.727 -4.869 1.00 44.12 C ATOM 975 O GLU A 60 -10.859 -12.156 -3.913 1.00 53.05 O ATOM 976 CB GLU A 60 -11.401 -15.232 -4.971 1.00 55.12 C ATOM 977 CG GLU A 60 -12.117 -16.552 -4.712 1.00 2.40 C ATOM 978 CD GLU A 60 -12.406 -16.788 -3.237 1.00 62.33 C ATOM 979 OE1 GLU A 60 -11.464 -17.143 -2.495 1.00 62.24 O ATOM 980 OE2 GLU A 60 -13.576 -16.645 -2.816 1.00 31.34 O ATOM 0 H GLU A 60 -13.468 -14.720 -6.197 1.00 14.41 H new ATOM 0 HA GLU A 60 -12.563 -14.006 -3.613 1.00 22.52 H new ATOM 0 HB2 GLU A 60 -11.097 -15.195 -6.017 1.00 55.12 H new ATOM 0 HB3 GLU A 60 -10.490 -15.202 -4.373 1.00 55.12 H new ATOM 0 HG2 GLU A 60 -13.055 -16.566 -5.268 1.00 2.40 H new ATOM 0 HG3 GLU A 60 -11.508 -17.371 -5.094 1.00 2.40 H new ATOM 987 N ILE A 61 -11.267 -12.299 -6.124 1.00 64.22 N ATOM 988 CA ILE A 61 -10.430 -11.144 -6.467 1.00 0.53 C ATOM 989 C ILE A 61 -10.979 -9.838 -5.868 1.00 41.44 C ATOM 990 O ILE A 61 -10.218 -8.921 -5.566 1.00 53.14 O ATOM 991 CB ILE A 61 -10.261 -11.001 -8.004 1.00 14.04 C ATOM 992 CG1 ILE A 61 -9.216 -9.924 -8.344 1.00 51.33 C ATOM 993 CG2 ILE A 61 -11.596 -10.688 -8.672 1.00 1.14 C ATOM 994 CD1 ILE A 61 -8.922 -9.802 -9.826 1.00 61.20 C ATOM 0 H ILE A 61 -11.732 -12.732 -6.922 1.00 64.22 H new ATOM 0 HA ILE A 61 -9.449 -11.328 -6.028 1.00 0.53 H new ATOM 0 HB ILE A 61 -9.903 -11.955 -8.392 1.00 14.04 H new ATOM 0 HG12 ILE A 61 -9.566 -8.961 -7.972 1.00 51.33 H new ATOM 0 HG13 ILE A 61 -8.289 -10.151 -7.817 1.00 51.33 H new ATOM 0 HG21 ILE A 61 -11.451 -10.593 -9.748 1.00 1.14 H new ATOM 0 HG22 ILE A 61 -12.301 -11.494 -8.471 1.00 1.14 H new ATOM 0 HG23 ILE A 61 -11.991 -9.753 -8.275 1.00 1.14 H new ATOM 0 HD11 ILE A 61 -8.177 -9.023 -9.986 1.00 61.20 H new ATOM 0 HD12 ILE A 61 -8.540 -10.752 -10.201 1.00 61.20 H new ATOM 0 HD13 ILE A 61 -9.837 -9.543 -10.358 1.00 61.20 H new ATOM 1006 N ARG A 62 -12.297 -9.765 -5.683 1.00 45.04 N ATOM 1007 CA ARG A 62 -12.918 -8.615 -5.009 1.00 23.20 C ATOM 1008 C ARG A 62 -12.293 -8.395 -3.621 1.00 54.45 C ATOM 1009 O ARG A 62 -11.946 -7.272 -3.252 1.00 42.14 O ATOM 1010 CB ARG A 62 -14.434 -8.822 -4.875 1.00 72.05 C ATOM 1011 CG ARG A 62 -15.159 -8.946 -6.213 1.00 41.44 C ATOM 1012 CD ARG A 62 -16.654 -9.197 -6.034 1.00 44.32 C ATOM 1013 NE ARG A 62 -17.332 -8.088 -5.357 1.00 71.33 N ATOM 1014 CZ ARG A 62 -18.623 -8.031 -5.153 1.00 1.32 C ATOM 1015 NH1 ARG A 62 -19.399 -8.992 -5.546 1.00 40.43 N ATOM 1016 NH2 ARG A 62 -19.132 -7.008 -4.547 1.00 42.32 N ATOM 0 H ARG A 62 -12.956 -10.482 -5.987 1.00 45.04 H new ATOM 0 HA ARG A 62 -12.737 -7.729 -5.617 1.00 23.20 H new ATOM 0 HB2 ARG A 62 -14.618 -9.722 -4.288 1.00 72.05 H new ATOM 0 HB3 ARG A 62 -14.858 -7.986 -4.319 1.00 72.05 H new ATOM 0 HG2 ARG A 62 -15.012 -8.034 -6.791 1.00 41.44 H new ATOM 0 HG3 ARG A 62 -14.721 -9.762 -6.788 1.00 41.44 H new ATOM 0 HD2 ARG A 62 -17.112 -9.357 -7.010 1.00 44.32 H new ATOM 0 HD3 ARG A 62 -16.799 -10.112 -5.460 1.00 44.32 H new ATOM 0 HE ARG A 62 -16.761 -7.311 -5.024 1.00 71.33 H new ATOM 0 HH11 ARG A 62 -19.005 -9.804 -6.020 1.00 40.43 H new ATOM 0 HH12 ARG A 62 -20.404 -8.936 -5.381 1.00 40.43 H new ATOM 0 HH21 ARG A 62 -18.527 -6.250 -4.230 1.00 42.32 H new ATOM 0 HH22 ARG A 62 -20.138 -6.959 -4.386 1.00 42.32 H new ATOM 1030 N THR A 63 -12.144 -9.483 -2.865 1.00 1.44 N ATOM 1031 CA THR A 63 -11.493 -9.430 -1.552 1.00 61.45 C ATOM 1032 C THR A 63 -9.999 -9.109 -1.686 1.00 35.51 C ATOM 1033 O THR A 63 -9.500 -8.192 -1.046 1.00 74.55 O ATOM 1034 CB THR A 63 -11.657 -10.763 -0.775 1.00 20.50 C ATOM 1035 OG1 THR A 63 -13.052 -11.054 -0.583 1.00 34.41 O ATOM 1036 CG2 THR A 63 -10.958 -10.709 0.584 1.00 33.00 C ATOM 0 H THR A 63 -12.465 -10.412 -3.138 1.00 1.44 H new ATOM 0 HA THR A 63 -11.985 -8.634 -0.993 1.00 61.45 H new ATOM 0 HB THR A 63 -11.193 -11.551 -1.369 1.00 20.50 H new ATOM 0 HG1 THR A 63 -13.146 -11.898 -0.093 1.00 34.41 H new ATOM 0 HG21 THR A 63 -11.093 -11.659 1.101 1.00 33.00 H new ATOM 0 HG22 THR A 63 -9.894 -10.523 0.439 1.00 33.00 H new ATOM 0 HG23 THR A 63 -11.388 -9.906 1.183 1.00 33.00 H new ATOM 1044 N ALA A 64 -9.296 -9.862 -2.538 1.00 11.33 N ATOM 1045 CA ALA A 64 -7.849 -9.677 -2.745 1.00 53.41 C ATOM 1046 C ALA A 64 -7.490 -8.220 -3.081 1.00 1.12 C ATOM 1047 O ALA A 64 -6.592 -7.635 -2.474 1.00 12.25 O ATOM 1048 CB ALA A 64 -7.355 -10.606 -3.846 1.00 65.22 C ATOM 0 H ALA A 64 -9.704 -10.609 -3.099 1.00 11.33 H new ATOM 0 HA ALA A 64 -7.352 -9.925 -1.807 1.00 53.41 H new ATOM 0 HB1 ALA A 64 -6.284 -10.461 -3.991 1.00 65.22 H new ATOM 0 HB2 ALA A 64 -7.546 -11.641 -3.562 1.00 65.22 H new ATOM 0 HB3 ALA A 64 -7.880 -10.382 -4.774 1.00 65.22 H new ATOM 1054 N VAL A 65 -8.203 -7.644 -4.047 1.00 11.34 N ATOM 1055 CA VAL A 65 -8.013 -6.238 -4.426 1.00 35.23 C ATOM 1056 C VAL A 65 -8.215 -5.301 -3.224 1.00 32.44 C ATOM 1057 O VAL A 65 -7.430 -4.378 -3.002 1.00 53.10 O ATOM 1058 CB VAL A 65 -8.979 -5.840 -5.575 1.00 70.44 C ATOM 1059 CG1 VAL A 65 -8.957 -4.335 -5.827 1.00 41.24 C ATOM 1060 CG2 VAL A 65 -8.628 -6.601 -6.853 1.00 11.22 C ATOM 0 H VAL A 65 -8.921 -8.128 -4.586 1.00 11.34 H new ATOM 0 HA VAL A 65 -6.986 -6.131 -4.775 1.00 35.23 H new ATOM 0 HB VAL A 65 -9.990 -6.111 -5.270 1.00 70.44 H new ATOM 0 HG11 VAL A 65 -9.644 -4.092 -6.637 1.00 41.24 H new ATOM 0 HG12 VAL A 65 -9.263 -3.810 -4.922 1.00 41.24 H new ATOM 0 HG13 VAL A 65 -7.948 -4.027 -6.102 1.00 41.24 H new ATOM 0 HG21 VAL A 65 -9.314 -6.311 -7.649 1.00 11.22 H new ATOM 0 HG22 VAL A 65 -7.607 -6.363 -7.149 1.00 11.22 H new ATOM 0 HG23 VAL A 65 -8.713 -7.673 -6.673 1.00 11.22 H new ATOM 1070 N ASP A 66 -9.268 -5.548 -2.444 1.00 30.31 N ATOM 1071 CA ASP A 66 -9.532 -4.761 -1.237 1.00 64.41 C ATOM 1072 C ASP A 66 -8.402 -4.935 -0.208 1.00 43.11 C ATOM 1073 O ASP A 66 -7.993 -3.975 0.441 1.00 31.21 O ATOM 1074 CB ASP A 66 -10.879 -5.164 -0.621 1.00 61.41 C ATOM 1075 CG ASP A 66 -11.213 -4.358 0.625 1.00 32.41 C ATOM 1076 OD1 ASP A 66 -11.473 -3.142 0.497 1.00 54.41 O ATOM 1077 OD2 ASP A 66 -11.233 -4.935 1.734 1.00 61.41 O ATOM 0 H ASP A 66 -9.950 -6.284 -2.625 1.00 30.31 H new ATOM 0 HA ASP A 66 -9.575 -3.709 -1.521 1.00 64.41 H new ATOM 0 HB2 ASP A 66 -11.668 -5.028 -1.360 1.00 61.41 H new ATOM 0 HB3 ASP A 66 -10.857 -6.224 -0.369 1.00 61.41 H new ATOM 1082 N LYS A 67 -7.897 -6.166 -0.084 1.00 43.12 N ATOM 1083 CA LYS A 67 -6.808 -6.485 0.849 1.00 33.20 C ATOM 1084 C LYS A 67 -5.545 -5.668 0.546 1.00 14.14 C ATOM 1085 O LYS A 67 -4.935 -5.105 1.454 1.00 35.40 O ATOM 1086 CB LYS A 67 -6.476 -7.983 0.797 1.00 4.42 C ATOM 1087 CG LYS A 67 -7.623 -8.888 1.230 1.00 1.12 C ATOM 1088 CD LYS A 67 -7.255 -10.360 1.082 1.00 2.01 C ATOM 1089 CE LYS A 67 -6.294 -10.828 2.164 1.00 55.23 C ATOM 1090 NZ LYS A 67 -5.825 -12.221 1.922 1.00 42.22 N ATOM 0 H LYS A 67 -8.228 -6.966 -0.623 1.00 43.12 H new ATOM 0 HA LYS A 67 -7.152 -6.224 1.850 1.00 33.20 H new ATOM 0 HB2 LYS A 67 -6.184 -8.245 -0.220 1.00 4.42 H new ATOM 0 HB3 LYS A 67 -5.614 -8.176 1.435 1.00 4.42 H new ATOM 0 HG2 LYS A 67 -7.882 -8.679 2.268 1.00 1.12 H new ATOM 0 HG3 LYS A 67 -8.507 -8.670 0.631 1.00 1.12 H new ATOM 0 HD2 LYS A 67 -8.162 -10.964 1.119 1.00 2.01 H new ATOM 0 HD3 LYS A 67 -6.803 -10.522 0.103 1.00 2.01 H new ATOM 0 HE2 LYS A 67 -5.436 -10.157 2.203 1.00 55.23 H new ATOM 0 HE3 LYS A 67 -6.786 -10.773 3.135 1.00 55.23 H new ATOM 0 HZ1 LYS A 67 -5.356 -12.583 2.777 1.00 42.22 H new ATOM 0 HZ2 LYS A 67 -6.639 -12.826 1.691 1.00 42.22 H new ATOM 0 HZ3 LYS A 67 -5.152 -12.228 1.129 1.00 42.22 H new ATOM 1104 N VAL A 68 -5.161 -5.604 -0.732 1.00 52.04 N ATOM 1105 CA VAL A 68 -3.994 -4.813 -1.149 1.00 71.23 C ATOM 1106 C VAL A 68 -4.088 -3.376 -0.615 1.00 51.34 C ATOM 1107 O VAL A 68 -3.183 -2.889 0.065 1.00 2.45 O ATOM 1108 CB VAL A 68 -3.852 -4.778 -2.695 1.00 41.23 C ATOM 1109 CG1 VAL A 68 -2.635 -3.952 -3.120 1.00 23.41 C ATOM 1110 CG2 VAL A 68 -3.766 -6.196 -3.261 1.00 4.43 C ATOM 0 H VAL A 68 -5.637 -6.087 -1.494 1.00 52.04 H new ATOM 0 HA VAL A 68 -3.113 -5.298 -0.729 1.00 71.23 H new ATOM 0 HB VAL A 68 -4.742 -4.298 -3.102 1.00 41.23 H new ATOM 0 HG11 VAL A 68 -2.561 -3.946 -4.207 1.00 23.41 H new ATOM 0 HG12 VAL A 68 -2.745 -2.930 -2.758 1.00 23.41 H new ATOM 0 HG13 VAL A 68 -1.731 -4.392 -2.698 1.00 23.41 H new ATOM 0 HG21 VAL A 68 -3.667 -6.149 -4.345 1.00 4.43 H new ATOM 0 HG22 VAL A 68 -2.899 -6.704 -2.839 1.00 4.43 H new ATOM 0 HG23 VAL A 68 -4.671 -6.746 -3.003 1.00 4.43 H new ATOM 1120 N GLU A 69 -5.211 -2.721 -0.899 1.00 51.42 N ATOM 1121 CA GLU A 69 -5.454 -1.355 -0.429 1.00 31.54 C ATOM 1122 C GLU A 69 -5.798 -1.314 1.076 1.00 21.34 C ATOM 1123 O GLU A 69 -5.711 -0.264 1.705 1.00 21.54 O ATOM 1124 CB GLU A 69 -6.572 -0.698 -1.256 1.00 25.33 C ATOM 1125 CG GLU A 69 -6.292 -0.654 -2.761 1.00 34.01 C ATOM 1126 CD GLU A 69 -4.976 0.037 -3.113 1.00 43.12 C ATOM 1127 OE1 GLU A 69 -4.951 1.284 -3.209 1.00 3.05 O ATOM 1128 OE2 GLU A 69 -3.959 -0.665 -3.297 1.00 51.45 O ATOM 0 H GLU A 69 -5.971 -3.114 -1.454 1.00 51.42 H new ATOM 0 HA GLU A 69 -4.531 -0.791 -0.566 1.00 31.54 H new ATOM 0 HB2 GLU A 69 -7.502 -1.241 -1.086 1.00 25.33 H new ATOM 0 HB3 GLU A 69 -6.726 0.319 -0.896 1.00 25.33 H new ATOM 0 HG2 GLU A 69 -6.275 -1.672 -3.150 1.00 34.01 H new ATOM 0 HG3 GLU A 69 -7.111 -0.136 -3.260 1.00 34.01 H new ATOM 1135 N LEU A 70 -6.204 -2.454 1.643 1.00 11.54 N ATOM 1136 CA LEU A 70 -6.507 -2.551 3.086 1.00 74.11 C ATOM 1137 C LEU A 70 -5.226 -2.548 3.934 1.00 24.01 C ATOM 1138 O LEU A 70 -5.035 -1.671 4.778 1.00 11.05 O ATOM 1139 CB LEU A 70 -7.320 -3.818 3.388 1.00 33.42 C ATOM 1140 CG LEU A 70 -7.510 -4.140 4.883 1.00 64.54 C ATOM 1141 CD1 LEU A 70 -8.240 -3.006 5.604 1.00 52.20 C ATOM 1142 CD2 LEU A 70 -8.251 -5.465 5.049 1.00 31.23 C ATOM 0 H LEU A 70 -6.332 -3.326 1.130 1.00 11.54 H new ATOM 0 HA LEU A 70 -7.097 -1.673 3.350 1.00 74.11 H new ATOM 0 HB2 LEU A 70 -8.303 -3.717 2.928 1.00 33.42 H new ATOM 0 HB3 LEU A 70 -6.830 -4.666 2.910 1.00 33.42 H new ATOM 0 HG LEU A 70 -6.525 -4.237 5.340 1.00 64.54 H new ATOM 0 HD11 LEU A 70 -8.360 -3.262 6.657 1.00 52.20 H new ATOM 0 HD12 LEU A 70 -7.660 -2.087 5.517 1.00 52.20 H new ATOM 0 HD13 LEU A 70 -9.221 -2.860 5.152 1.00 52.20 H new ATOM 0 HD21 LEU A 70 -8.378 -5.680 6.110 1.00 31.23 H new ATOM 0 HD22 LEU A 70 -9.229 -5.397 4.573 1.00 31.23 H new ATOM 0 HD23 LEU A 70 -7.675 -6.265 4.583 1.00 31.23 H new ATOM 1154 N PHE A 71 -4.359 -3.540 3.719 1.00 1.01 N ATOM 1155 CA PHE A 71 -3.071 -3.596 4.419 1.00 21.22 C ATOM 1156 C PHE A 71 -2.280 -2.309 4.151 1.00 23.10 C ATOM 1157 O PHE A 71 -1.549 -1.813 5.010 1.00 63.55 O ATOM 1158 CB PHE A 71 -2.269 -4.834 3.980 1.00 54.52 C ATOM 1159 CG PHE A 71 -2.987 -6.141 4.237 1.00 13.54 C ATOM 1160 CD1 PHE A 71 -3.249 -6.563 5.535 1.00 22.03 C ATOM 1161 CD2 PHE A 71 -3.401 -6.948 3.185 1.00 32.00 C ATOM 1162 CE1 PHE A 71 -3.906 -7.758 5.773 1.00 0.52 C ATOM 1163 CE2 PHE A 71 -4.056 -8.142 3.421 1.00 5.21 C ATOM 1164 CZ PHE A 71 -4.309 -8.547 4.713 1.00 31.23 C ATOM 0 H PHE A 71 -4.522 -4.311 3.071 1.00 1.01 H new ATOM 0 HA PHE A 71 -3.252 -3.679 5.491 1.00 21.22 H new ATOM 0 HB2 PHE A 71 -2.046 -4.754 2.916 1.00 54.52 H new ATOM 0 HB3 PHE A 71 -1.314 -4.844 4.506 1.00 54.52 H new ATOM 0 HD1 PHE A 71 -2.936 -5.951 6.368 1.00 22.03 H new ATOM 0 HD2 PHE A 71 -3.208 -6.638 2.168 1.00 32.00 H new ATOM 0 HE1 PHE A 71 -4.103 -8.073 6.787 1.00 0.52 H new ATOM 0 HE2 PHE A 71 -4.370 -8.758 2.591 1.00 5.21 H new ATOM 0 HZ PHE A 71 -4.821 -9.480 4.897 1.00 31.23 H new ATOM 1174 N LEU A 72 -2.457 -1.766 2.947 1.00 70.43 N ATOM 1175 CA LEU A 72 -1.920 -0.451 2.599 1.00 40.44 C ATOM 1176 C LEU A 72 -2.615 0.669 3.388 1.00 42.12 C ATOM 1177 O LEU A 72 -1.968 1.601 3.847 1.00 3.04 O ATOM 1178 CB LEU A 72 -2.110 -0.172 1.110 1.00 33.23 C ATOM 1179 CG LEU A 72 -1.703 1.243 0.667 1.00 12.04 C ATOM 1180 CD1 LEU A 72 -0.217 1.302 0.313 1.00 14.12 C ATOM 1181 CD2 LEU A 72 -2.580 1.719 -0.486 1.00 13.03 C ATOM 0 H LEU A 72 -2.971 -2.220 2.192 1.00 70.43 H new ATOM 0 HA LEU A 72 -0.859 -0.465 2.850 1.00 40.44 H new ATOM 0 HB2 LEU A 72 -1.529 -0.898 0.541 1.00 33.23 H new ATOM 0 HB3 LEU A 72 -3.158 -0.331 0.855 1.00 33.23 H new ATOM 0 HG LEU A 72 -1.861 1.924 1.503 1.00 12.04 H new ATOM 0 HD11 LEU A 72 0.043 2.314 0.003 1.00 14.12 H new ATOM 0 HD12 LEU A 72 0.376 1.026 1.185 1.00 14.12 H new ATOM 0 HD13 LEU A 72 -0.009 0.608 -0.502 1.00 14.12 H new ATOM 0 HD21 LEU A 72 -2.276 2.722 -0.784 1.00 13.03 H new ATOM 0 HD22 LEU A 72 -2.470 1.040 -1.331 1.00 13.03 H new ATOM 0 HD23 LEU A 72 -3.622 1.736 -0.167 1.00 13.03 H new ATOM 1193 N LYS A 73 -3.938 0.578 3.516 1.00 75.31 N ATOM 1194 CA LYS A 73 -4.743 1.610 4.187 1.00 74.45 C ATOM 1195 C LYS A 73 -4.162 1.954 5.566 1.00 3.15 C ATOM 1196 O LYS A 73 -4.087 3.122 5.954 1.00 42.32 O ATOM 1197 CB LYS A 73 -6.192 1.118 4.337 1.00 53.41 C ATOM 1198 CG LYS A 73 -7.229 2.227 4.485 1.00 73.42 C ATOM 1199 CD LYS A 73 -8.623 1.669 4.780 1.00 71.23 C ATOM 1200 CE LYS A 73 -9.030 0.567 3.798 1.00 54.20 C ATOM 1201 NZ LYS A 73 -9.123 1.052 2.395 1.00 61.43 N ATOM 0 H LYS A 73 -4.484 -0.207 3.161 1.00 75.31 H new ATOM 0 HA LYS A 73 -4.724 2.513 3.576 1.00 74.45 H new ATOM 0 HB2 LYS A 73 -6.448 0.513 3.467 1.00 53.41 H new ATOM 0 HB3 LYS A 73 -6.251 0.465 5.208 1.00 53.41 H new ATOM 0 HG2 LYS A 73 -6.929 2.899 5.289 1.00 73.42 H new ATOM 0 HG3 LYS A 73 -7.261 2.819 3.570 1.00 73.42 H new ATOM 0 HD2 LYS A 73 -8.646 1.274 5.796 1.00 71.23 H new ATOM 0 HD3 LYS A 73 -9.352 2.478 4.737 1.00 71.23 H new ATOM 0 HE2 LYS A 73 -8.305 -0.245 3.850 1.00 54.20 H new ATOM 0 HE3 LYS A 73 -9.993 0.155 4.100 1.00 54.20 H new ATOM 0 HZ1 LYS A 73 -9.402 0.266 1.774 1.00 61.43 H new ATOM 0 HZ2 LYS A 73 -9.834 1.809 2.336 1.00 61.43 H new ATOM 0 HZ3 LYS A 73 -8.199 1.421 2.093 1.00 61.43 H new ATOM 1215 N GLU A 74 -3.745 0.922 6.293 1.00 3.44 N ATOM 1216 CA GLU A 74 -3.136 1.099 7.613 1.00 54.51 C ATOM 1217 C GLU A 74 -1.636 1.440 7.495 1.00 71.32 C ATOM 1218 O GLU A 74 -1.069 2.110 8.362 1.00 52.54 O ATOM 1219 CB GLU A 74 -3.345 -0.168 8.462 1.00 44.12 C ATOM 1220 CG GLU A 74 -4.775 -0.721 8.393 1.00 33.52 C ATOM 1221 CD GLU A 74 -5.222 -1.412 9.674 1.00 35.51 C ATOM 1222 OE1 GLU A 74 -5.332 -0.726 10.712 1.00 42.10 O ATOM 1223 OE2 GLU A 74 -5.500 -2.635 9.644 1.00 73.12 O ATOM 0 H GLU A 74 -3.817 -0.050 5.992 1.00 3.44 H new ATOM 0 HA GLU A 74 -3.624 1.938 8.108 1.00 54.51 H new ATOM 0 HB2 GLU A 74 -2.649 -0.938 8.129 1.00 44.12 H new ATOM 0 HB3 GLU A 74 -3.100 0.055 9.500 1.00 44.12 H new ATOM 0 HG2 GLU A 74 -5.462 0.096 8.172 1.00 33.52 H new ATOM 0 HG3 GLU A 74 -4.843 -1.427 7.566 1.00 33.52 H new ATOM 1230 N TYR A 75 -1.004 0.982 6.409 1.00 64.22 N ATOM 1231 CA TYR A 75 0.407 1.291 6.125 1.00 1.03 C ATOM 1232 C TYR A 75 0.606 2.794 5.833 1.00 52.44 C ATOM 1233 O TYR A 75 1.409 3.461 6.489 1.00 51.25 O ATOM 1234 CB TYR A 75 0.900 0.449 4.935 1.00 51.45 C ATOM 1235 CG TYR A 75 2.338 0.731 4.522 1.00 3.01 C ATOM 1236 CD1 TYR A 75 3.405 0.172 5.215 1.00 43.10 C ATOM 1237 CD2 TYR A 75 2.625 1.565 3.445 1.00 71.20 C ATOM 1238 CE1 TYR A 75 4.712 0.430 4.847 1.00 43.11 C ATOM 1239 CE2 TYR A 75 3.929 1.829 3.074 1.00 13.15 C ATOM 1240 CZ TYR A 75 4.969 1.260 3.777 1.00 61.45 C ATOM 1241 OH TYR A 75 6.269 1.530 3.416 1.00 73.25 O ATOM 0 H TYR A 75 -1.449 0.392 5.706 1.00 64.22 H new ATOM 0 HA TYR A 75 0.993 1.042 7.010 1.00 1.03 H new ATOM 0 HB2 TYR A 75 0.808 -0.607 5.189 1.00 51.45 H new ATOM 0 HB3 TYR A 75 0.247 0.630 4.081 1.00 51.45 H new ATOM 0 HD1 TYR A 75 3.209 -0.476 6.057 1.00 43.10 H new ATOM 0 HD2 TYR A 75 1.814 2.013 2.890 1.00 71.20 H new ATOM 0 HE1 TYR A 75 5.528 -0.017 5.395 1.00 43.11 H new ATOM 0 HE2 TYR A 75 4.133 2.479 2.236 1.00 13.15 H new ATOM 0 HH TYR A 75 6.850 0.800 3.715 1.00 73.25 H new ATOM 1251 N LEU A 76 -0.128 3.319 4.845 1.00 63.10 N ATOM 1252 CA LEU A 76 -0.081 4.749 4.511 1.00 41.34 C ATOM 1253 C LEU A 76 -0.386 5.622 5.741 1.00 32.02 C ATOM 1254 O LEU A 76 0.244 6.655 5.941 1.00 12.12 O ATOM 1255 CB LEU A 76 -1.045 5.087 3.351 1.00 22.50 C ATOM 1256 CG LEU A 76 -0.589 4.624 1.947 1.00 12.25 C ATOM 1257 CD1 LEU A 76 -1.605 5.017 0.871 1.00 52.42 C ATOM 1258 CD2 LEU A 76 0.787 5.198 1.608 1.00 1.00 C ATOM 0 H LEU A 76 -0.763 2.775 4.261 1.00 63.10 H new ATOM 0 HA LEU A 76 0.934 4.972 4.183 1.00 41.34 H new ATOM 0 HB2 LEU A 76 -2.015 4.637 3.565 1.00 22.50 H new ATOM 0 HB3 LEU A 76 -1.193 6.167 3.328 1.00 22.50 H new ATOM 0 HG LEU A 76 -0.521 3.536 1.967 1.00 12.25 H new ATOM 0 HD11 LEU A 76 -1.253 4.677 -0.103 1.00 52.42 H new ATOM 0 HD12 LEU A 76 -2.567 4.554 1.092 1.00 52.42 H new ATOM 0 HD13 LEU A 76 -1.719 6.101 0.857 1.00 52.42 H new ATOM 0 HD21 LEU A 76 1.088 4.860 0.617 1.00 1.00 H new ATOM 0 HD22 LEU A 76 0.740 6.287 1.621 1.00 1.00 H new ATOM 0 HD23 LEU A 76 1.515 4.857 2.344 1.00 1.00 H new ATOM 1270 N HIS A 77 -1.340 5.196 6.573 1.00 61.13 N ATOM 1271 CA HIS A 77 -1.644 5.916 7.821 1.00 31.11 C ATOM 1272 C HIS A 77 -0.412 5.971 8.745 1.00 50.25 C ATOM 1273 O HIS A 77 -0.160 6.982 9.404 1.00 42.51 O ATOM 1274 CB HIS A 77 -2.822 5.256 8.557 1.00 71.13 C ATOM 1275 CG HIS A 77 -3.202 5.956 9.834 1.00 62.33 C ATOM 1276 ND1 HIS A 77 -2.748 5.559 11.073 1.00 1.43 N ATOM 1277 CD2 HIS A 77 -3.994 7.036 10.064 1.00 3.53 C ATOM 1278 CE1 HIS A 77 -3.237 6.355 12.002 1.00 61.54 C ATOM 1279 NE2 HIS A 77 -3.992 7.260 11.419 1.00 34.15 N ATOM 0 H HIS A 77 -1.911 4.367 6.412 1.00 61.13 H new ATOM 0 HA HIS A 77 -1.921 6.936 7.554 1.00 31.11 H new ATOM 0 HB2 HIS A 77 -3.687 5.233 7.894 1.00 71.13 H new ATOM 0 HB3 HIS A 77 -2.565 4.221 8.782 1.00 71.13 H new ATOM 0 HD2 HIS A 77 -4.526 7.611 9.320 1.00 3.53 H new ATOM 0 HE1 HIS A 77 -3.049 6.277 13.063 1.00 61.54 H new ATOM 0 HE2 HIS A 77 -4.495 8.008 11.896 1.00 34.15 H new ATOM 1288 N PHE A 78 0.347 4.877 8.786 1.00 13.23 N ATOM 1289 CA PHE A 78 1.545 4.792 9.629 1.00 64.03 C ATOM 1290 C PHE A 78 2.665 5.704 9.096 1.00 5.04 C ATOM 1291 O PHE A 78 3.184 6.560 9.819 1.00 31.44 O ATOM 1292 CB PHE A 78 2.032 3.336 9.696 1.00 73.01 C ATOM 1293 CG PHE A 78 3.053 3.068 10.780 1.00 60.33 C ATOM 1294 CD1 PHE A 78 4.395 3.367 10.589 1.00 40.52 C ATOM 1295 CD2 PHE A 78 2.664 2.503 11.989 1.00 51.12 C ATOM 1296 CE1 PHE A 78 5.327 3.111 11.578 1.00 22.41 C ATOM 1297 CE2 PHE A 78 3.592 2.247 12.980 1.00 3.33 C ATOM 1298 CZ PHE A 78 4.924 2.552 12.775 1.00 1.43 C ATOM 0 H PHE A 78 0.155 4.034 8.245 1.00 13.23 H new ATOM 0 HA PHE A 78 1.284 5.132 10.631 1.00 64.03 H new ATOM 0 HB2 PHE A 78 1.172 2.685 9.855 1.00 73.01 H new ATOM 0 HB3 PHE A 78 2.463 3.065 8.732 1.00 73.01 H new ATOM 0 HD1 PHE A 78 4.716 3.805 9.655 1.00 40.52 H new ATOM 0 HD2 PHE A 78 1.625 2.261 12.156 1.00 51.12 H new ATOM 0 HE1 PHE A 78 6.368 3.348 11.415 1.00 22.41 H new ATOM 0 HE2 PHE A 78 3.276 1.808 13.915 1.00 3.33 H new ATOM 0 HZ PHE A 78 5.649 2.353 13.550 1.00 1.43 H new ATOM 1308 N VAL A 79 3.029 5.520 7.826 1.00 54.32 N ATOM 1309 CA VAL A 79 4.107 6.302 7.208 1.00 44.14 C ATOM 1310 C VAL A 79 3.785 7.810 7.172 1.00 34.32 C ATOM 1311 O VAL A 79 4.652 8.639 7.452 1.00 51.04 O ATOM 1312 CB VAL A 79 4.429 5.800 5.777 1.00 23.34 C ATOM 1313 CG1 VAL A 79 4.925 4.355 5.814 1.00 13.41 C ATOM 1314 CG2 VAL A 79 3.215 5.927 4.862 1.00 60.41 C ATOM 0 H VAL A 79 2.595 4.838 7.204 1.00 54.32 H new ATOM 0 HA VAL A 79 4.986 6.157 7.836 1.00 44.14 H new ATOM 0 HB VAL A 79 5.222 6.429 5.371 1.00 23.34 H new ATOM 0 HG11 VAL A 79 5.146 4.020 4.801 1.00 13.41 H new ATOM 0 HG12 VAL A 79 5.829 4.296 6.421 1.00 13.41 H new ATOM 0 HG13 VAL A 79 4.155 3.717 6.247 1.00 13.41 H new ATOM 0 HG21 VAL A 79 3.471 5.567 3.865 1.00 60.41 H new ATOM 0 HG22 VAL A 79 2.394 5.332 5.262 1.00 60.41 H new ATOM 0 HG23 VAL A 79 2.911 6.972 4.803 1.00 60.41 H new ATOM 1324 N LYS A 80 2.539 8.160 6.841 1.00 41.34 N ATOM 1325 CA LYS A 80 2.096 9.564 6.870 1.00 22.32 C ATOM 1326 C LYS A 80 2.224 10.145 8.285 1.00 63.53 C ATOM 1327 O LYS A 80 2.601 11.304 8.460 1.00 15.14 O ATOM 1328 CB LYS A 80 0.644 9.684 6.386 1.00 62.23 C ATOM 1329 CG LYS A 80 0.462 9.456 4.884 1.00 13.41 C ATOM 1330 CD LYS A 80 -1.015 9.332 4.516 1.00 11.34 C ATOM 1331 CE LYS A 80 -1.234 9.239 3.013 1.00 51.42 C ATOM 1332 NZ LYS A 80 -0.916 10.520 2.328 1.00 61.23 N ATOM 0 H LYS A 80 1.820 7.497 6.551 1.00 41.34 H new ATOM 0 HA LYS A 80 2.739 10.133 6.198 1.00 22.32 H new ATOM 0 HB2 LYS A 80 0.032 8.964 6.928 1.00 62.23 H new ATOM 0 HB3 LYS A 80 0.269 10.676 6.640 1.00 62.23 H new ATOM 0 HG2 LYS A 80 0.908 10.283 4.332 1.00 13.41 H new ATOM 0 HG3 LYS A 80 0.991 8.551 4.585 1.00 13.41 H new ATOM 0 HD2 LYS A 80 -1.433 8.447 4.996 1.00 11.34 H new ATOM 0 HD3 LYS A 80 -1.557 10.193 4.907 1.00 11.34 H new ATOM 0 HE2 LYS A 80 -0.611 8.444 2.604 1.00 51.42 H new ATOM 0 HE3 LYS A 80 -2.270 8.967 2.813 1.00 51.42 H new ATOM 0 HZ1 LYS A 80 -1.339 10.520 1.378 1.00 61.23 H new ATOM 0 HZ2 LYS A 80 -1.302 11.313 2.879 1.00 61.23 H new ATOM 0 HZ3 LYS A 80 0.116 10.624 2.248 1.00 61.23 H new ATOM 1346 N GLY A 81 1.911 9.326 9.289 1.00 63.01 N ATOM 1347 CA GLY A 81 2.091 9.736 10.676 1.00 54.10 C ATOM 1348 C GLY A 81 3.539 10.100 10.994 1.00 61.41 C ATOM 1349 O GLY A 81 3.810 11.120 11.631 1.00 32.10 O ATOM 0 H GLY A 81 1.536 8.385 9.168 1.00 63.01 H new ATOM 0 HA2 GLY A 81 1.450 10.593 10.884 1.00 54.10 H new ATOM 0 HA3 GLY A 81 1.769 8.929 11.335 1.00 54.10 H new ATOM 1353 N ALA A 82 4.470 9.259 10.553 1.00 22.45 N ATOM 1354 CA ALA A 82 5.901 9.547 10.687 1.00 21.23 C ATOM 1355 C ALA A 82 6.274 10.861 9.980 1.00 53.53 C ATOM 1356 O ALA A 82 6.894 11.745 10.575 1.00 63.13 O ATOM 1357 CB ALA A 82 6.722 8.390 10.128 1.00 65.51 C ATOM 0 H ALA A 82 4.262 8.370 10.098 1.00 22.45 H new ATOM 0 HA ALA A 82 6.127 9.664 11.747 1.00 21.23 H new ATOM 0 HB1 ALA A 82 7.784 8.614 10.232 1.00 65.51 H new ATOM 0 HB2 ALA A 82 6.487 7.478 10.678 1.00 65.51 H new ATOM 0 HB3 ALA A 82 6.482 8.250 9.074 1.00 65.51 H new ATOM 1363 N VAL A 83 5.869 10.988 8.713 1.00 70.40 N ATOM 1364 CA VAL A 83 6.125 12.204 7.922 1.00 1.02 C ATOM 1365 C VAL A 83 5.598 13.463 8.634 1.00 34.24 C ATOM 1366 O VAL A 83 6.246 14.514 8.627 1.00 13.11 O ATOM 1367 CB VAL A 83 5.479 12.106 6.514 1.00 60.45 C ATOM 1368 CG1 VAL A 83 5.723 13.380 5.704 1.00 32.45 C ATOM 1369 CG2 VAL A 83 6.004 10.885 5.761 1.00 34.12 C ATOM 0 H VAL A 83 5.360 10.263 8.208 1.00 70.40 H new ATOM 0 HA VAL A 83 7.207 12.286 7.815 1.00 1.02 H new ATOM 0 HB VAL A 83 4.403 11.993 6.649 1.00 60.45 H new ATOM 0 HG11 VAL A 83 5.259 13.282 4.723 1.00 32.45 H new ATOM 0 HG12 VAL A 83 5.289 14.232 6.227 1.00 32.45 H new ATOM 0 HG13 VAL A 83 6.795 13.535 5.584 1.00 32.45 H new ATOM 0 HG21 VAL A 83 5.538 10.836 4.777 1.00 34.12 H new ATOM 0 HG22 VAL A 83 7.085 10.965 5.647 1.00 34.12 H new ATOM 0 HG23 VAL A 83 5.764 9.981 6.321 1.00 34.12 H new ATOM 1379 N ALA A 84 4.423 13.344 9.249 1.00 31.23 N ATOM 1380 CA ALA A 84 3.826 14.446 10.008 1.00 41.40 C ATOM 1381 C ALA A 84 4.737 14.899 11.162 1.00 71.32 C ATOM 1382 O ALA A 84 4.820 16.092 11.469 1.00 0.14 O ATOM 1383 CB ALA A 84 2.454 14.038 10.533 1.00 32.11 C ATOM 0 H ALA A 84 3.862 12.492 9.237 1.00 31.23 H new ATOM 0 HA ALA A 84 3.709 15.294 9.334 1.00 41.40 H new ATOM 0 HB1 ALA A 84 2.019 14.864 11.096 1.00 32.11 H new ATOM 0 HB2 ALA A 84 1.803 13.788 9.695 1.00 32.11 H new ATOM 0 HB3 ALA A 84 2.557 13.170 11.184 1.00 32.11 H new ATOM 1389 N ASN A 85 5.426 13.945 11.791 1.00 60.40 N ATOM 1390 CA ASN A 85 6.384 14.260 12.858 1.00 43.31 C ATOM 1391 C ASN A 85 7.708 14.774 12.271 1.00 61.32 C ATOM 1392 O ASN A 85 8.379 15.620 12.864 1.00 0.21 O ATOM 1393 CB ASN A 85 6.638 13.023 13.727 1.00 23.23 C ATOM 1394 CG ASN A 85 5.408 12.601 14.512 1.00 53.12 C ATOM 1395 OD1 ASN A 85 4.595 13.428 14.909 1.00 61.03 O ATOM 1396 ND2 ASN A 85 5.259 11.313 14.742 1.00 23.11 N ATOM 0 H ASN A 85 5.341 12.950 11.582 1.00 60.40 H new ATOM 0 HA ASN A 85 5.955 15.047 13.478 1.00 43.31 H new ATOM 0 HB2 ASN A 85 6.961 12.198 13.093 1.00 23.23 H new ATOM 0 HB3 ASN A 85 7.454 13.231 14.420 1.00 23.23 H new ATOM 0 HD21 ASN A 85 4.449 10.979 15.264 1.00 23.11 H new ATOM 0 HD22 ASN A 85 5.954 10.650 14.398 1.00 23.11 H new ATOM 1403 N ALA A 86 8.061 14.270 11.087 1.00 52.11 N ATOM 1404 CA ALA A 86 9.285 14.683 10.392 1.00 65.50 C ATOM 1405 C ALA A 86 9.290 16.191 10.091 1.00 34.34 C ATOM 1406 O ALA A 86 10.347 16.807 9.958 1.00 31.32 O ATOM 1407 CB ALA A 86 9.453 13.884 9.106 1.00 50.13 C ATOM 0 H ALA A 86 7.513 13.571 10.586 1.00 52.11 H new ATOM 0 HA ALA A 86 10.127 14.479 11.053 1.00 65.50 H new ATOM 0 HB1 ALA A 86 10.365 14.199 8.598 1.00 50.13 H new ATOM 0 HB2 ALA A 86 9.518 12.822 9.343 1.00 50.13 H new ATOM 0 HB3 ALA A 86 8.597 14.058 8.455 1.00 50.13 H new ATOM 1413 N ALA A 87 8.101 16.782 9.977 1.00 53.32 N ATOM 1414 CA ALA A 87 7.975 18.230 9.766 1.00 41.14 C ATOM 1415 C ALA A 87 8.373 19.022 11.026 1.00 41.24 C ATOM 1416 O ALA A 87 8.744 20.196 10.948 1.00 42.22 O ATOM 1417 CB ALA A 87 6.549 18.575 9.346 1.00 64.34 C ATOM 0 H ALA A 87 7.212 16.285 10.027 1.00 53.32 H new ATOM 0 HA ALA A 87 8.661 18.516 8.968 1.00 41.14 H new ATOM 0 HB1 ALA A 87 6.465 19.651 9.192 1.00 64.34 H new ATOM 0 HB2 ALA A 87 6.307 18.056 8.419 1.00 64.34 H new ATOM 0 HB3 ALA A 87 5.855 18.265 10.127 1.00 64.34 H new ATOM 1423 N CYS A 88 8.303 18.361 12.182 1.00 64.12 N ATOM 1424 CA CYS A 88 8.643 18.983 13.472 1.00 64.33 C ATOM 1425 C CYS A 88 10.143 18.854 13.795 1.00 54.51 C ATOM 1426 O CYS A 88 10.615 19.354 14.821 1.00 34.01 O ATOM 1427 CB CYS A 88 7.816 18.343 14.597 1.00 1.24 C ATOM 1428 SG CYS A 88 8.124 19.037 16.239 1.00 4.05 S ATOM 0 H CYS A 88 8.012 17.386 12.256 1.00 64.12 H new ATOM 0 HA CYS A 88 8.408 20.045 13.396 1.00 64.33 H new ATOM 0 HB2 CYS A 88 6.758 18.454 14.362 1.00 1.24 H new ATOM 0 HB3 CYS A 88 8.026 17.274 14.623 1.00 1.24 H new ATOM 0 HG CYS A 88 9.343 19.486 16.299 1.00 4.05 H new ATOM 1434 N LEU A 89 10.891 18.188 12.917 1.00 41.44 N ATOM 1435 CA LEU A 89 12.336 17.995 13.105 1.00 13.01 C ATOM 1436 C LEU A 89 13.120 19.313 12.978 1.00 54.01 C ATOM 1437 O LEU A 89 12.629 20.289 12.408 1.00 52.14 O ATOM 1438 CB LEU A 89 12.871 16.981 12.081 1.00 15.04 C ATOM 1439 CG LEU A 89 12.334 15.549 12.221 1.00 50.40 C ATOM 1440 CD1 LEU A 89 12.998 14.629 11.201 1.00 73.12 C ATOM 1441 CD2 LEU A 89 12.543 15.024 13.641 1.00 13.00 C ATOM 0 H LEU A 89 10.522 17.769 12.063 1.00 41.44 H new ATOM 0 HA LEU A 89 12.481 17.616 14.117 1.00 13.01 H new ATOM 0 HB2 LEU A 89 12.633 17.343 11.081 1.00 15.04 H new ATOM 0 HB3 LEU A 89 13.958 16.951 12.160 1.00 15.04 H new ATOM 0 HG LEU A 89 11.262 15.565 12.024 1.00 50.40 H new ATOM 0 HD11 LEU A 89 12.606 13.618 11.314 1.00 73.12 H new ATOM 0 HD12 LEU A 89 12.787 14.990 10.194 1.00 73.12 H new ATOM 0 HD13 LEU A 89 14.076 14.621 11.365 1.00 73.12 H new ATOM 0 HD21 LEU A 89 12.154 14.008 13.714 1.00 13.00 H new ATOM 0 HD22 LEU A 89 13.607 15.023 13.876 1.00 13.00 H new ATOM 0 HD23 LEU A 89 12.016 15.666 14.347 1.00 13.00 H new ATOM 1453 N PRO A 90 14.367 19.354 13.502 1.00 11.12 N ATOM 1454 CA PRO A 90 15.254 20.527 13.356 1.00 22.31 C ATOM 1455 C PRO A 90 15.740 20.746 11.908 1.00 70.14 C ATOM 1456 O PRO A 90 16.536 21.651 11.638 1.00 24.14 O ATOM 1457 CB PRO A 90 16.435 20.190 14.278 1.00 61.33 C ATOM 1458 CG PRO A 90 16.445 18.700 14.356 1.00 14.25 C ATOM 1459 CD PRO A 90 15.002 18.282 14.301 1.00 1.43 C ATOM 0 HA PRO A 90 14.739 21.454 13.610 1.00 22.31 H new ATOM 0 HB2 PRO A 90 17.373 20.571 13.875 1.00 61.33 H new ATOM 0 HB3 PRO A 90 16.307 20.637 15.264 1.00 61.33 H new ATOM 0 HG2 PRO A 90 17.010 18.268 13.530 1.00 14.25 H new ATOM 0 HG3 PRO A 90 16.917 18.359 15.277 1.00 14.25 H new ATOM 0 HD2 PRO A 90 14.884 17.306 13.831 1.00 1.43 H new ATOM 0 HD3 PRO A 90 14.566 18.211 15.297 1.00 1.43 H new ATOM 1467 N GLU A 91 15.272 19.906 10.985 1.00 13.04 N ATOM 1468 CA GLU A 91 15.581 20.055 9.558 1.00 3.53 C ATOM 1469 C GLU A 91 14.358 19.684 8.707 1.00 25.12 C ATOM 1470 O GLU A 91 13.514 18.889 9.128 1.00 23.20 O ATOM 1471 CB GLU A 91 16.770 19.161 9.159 1.00 41.43 C ATOM 1472 CG GLU A 91 16.406 17.684 9.002 1.00 25.31 C ATOM 1473 CD GLU A 91 17.606 16.794 8.728 1.00 1.00 C ATOM 1474 OE1 GLU A 91 18.399 16.557 9.661 1.00 21.11 O ATOM 1475 OE2 GLU A 91 17.757 16.316 7.580 1.00 11.12 O ATOM 0 H GLU A 91 14.673 19.109 11.200 1.00 13.04 H new ATOM 0 HA GLU A 91 15.846 21.097 9.379 1.00 3.53 H new ATOM 0 HB2 GLU A 91 17.187 19.525 8.220 1.00 41.43 H new ATOM 0 HB3 GLU A 91 17.552 19.255 9.912 1.00 41.43 H new ATOM 0 HG2 GLU A 91 15.908 17.341 9.909 1.00 25.31 H new ATOM 0 HG3 GLU A 91 15.691 17.578 8.187 1.00 25.31 H new ATOM 1482 N LEU A 92 14.265 20.259 7.517 1.00 4.14 N ATOM 1483 CA LEU A 92 13.200 19.912 6.572 1.00 50.12 C ATOM 1484 C LEU A 92 13.719 18.876 5.556 1.00 64.15 C ATOM 1485 O LEU A 92 12.944 18.148 4.938 1.00 60.40 O ATOM 1486 CB LEU A 92 12.707 21.194 5.863 1.00 74.34 C ATOM 1487 CG LEU A 92 11.294 21.150 5.238 1.00 52.03 C ATOM 1488 CD1 LEU A 92 11.261 20.326 3.954 1.00 72.15 C ATOM 1489 CD2 LEU A 92 10.282 20.618 6.249 1.00 13.21 C ATOM 0 H LEU A 92 14.913 20.970 7.177 1.00 4.14 H new ATOM 0 HA LEU A 92 12.360 19.468 7.106 1.00 50.12 H new ATOM 0 HB2 LEU A 92 12.734 22.011 6.584 1.00 74.34 H new ATOM 0 HB3 LEU A 92 13.419 21.441 5.075 1.00 74.34 H new ATOM 0 HG LEU A 92 11.022 22.171 4.970 1.00 52.03 H new ATOM 0 HD11 LEU A 92 10.249 20.323 3.550 1.00 72.15 H new ATOM 0 HD12 LEU A 92 11.942 20.763 3.224 1.00 72.15 H new ATOM 0 HD13 LEU A 92 11.569 19.303 4.170 1.00 72.15 H new ATOM 0 HD21 LEU A 92 9.292 20.593 5.794 1.00 13.21 H new ATOM 0 HD22 LEU A 92 10.567 19.611 6.554 1.00 13.21 H new ATOM 0 HD23 LEU A 92 10.263 21.270 7.123 1.00 13.21 H new ATOM 1501 N ILE A 93 15.047 18.791 5.437 1.00 73.22 N ATOM 1502 CA ILE A 93 15.709 17.925 4.448 1.00 52.12 C ATOM 1503 C ILE A 93 15.160 16.486 4.478 1.00 34.51 C ATOM 1504 O ILE A 93 14.675 15.971 3.465 1.00 24.34 O ATOM 1505 CB ILE A 93 17.242 17.881 4.687 1.00 63.34 C ATOM 1506 CG1 ILE A 93 17.799 19.294 4.943 1.00 1.34 C ATOM 1507 CG2 ILE A 93 17.952 17.229 3.500 1.00 21.12 C ATOM 1508 CD1 ILE A 93 17.556 20.270 3.810 1.00 41.12 C ATOM 0 H ILE A 93 15.696 19.318 6.021 1.00 73.22 H new ATOM 0 HA ILE A 93 15.499 18.358 3.470 1.00 52.12 H new ATOM 0 HB ILE A 93 17.430 17.277 5.575 1.00 63.34 H new ATOM 0 HG12 ILE A 93 17.349 19.691 5.853 1.00 1.34 H new ATOM 0 HG13 ILE A 93 18.872 19.223 5.123 1.00 1.34 H new ATOM 0 HG21 ILE A 93 19.026 17.207 3.686 1.00 21.12 H new ATOM 0 HG22 ILE A 93 17.585 16.211 3.371 1.00 21.12 H new ATOM 0 HG23 ILE A 93 17.752 17.804 2.596 1.00 21.12 H new ATOM 0 HD11 ILE A 93 17.979 21.241 4.069 1.00 41.12 H new ATOM 0 HD12 ILE A 93 18.030 19.898 2.902 1.00 41.12 H new ATOM 0 HD13 ILE A 93 16.484 20.374 3.643 1.00 41.12 H new ATOM 1520 N LEU A 94 15.237 15.843 5.645 1.00 31.11 N ATOM 1521 CA LEU A 94 14.712 14.481 5.818 1.00 52.22 C ATOM 1522 C LEU A 94 13.209 14.410 5.499 1.00 72.33 C ATOM 1523 O LEU A 94 12.746 13.479 4.836 1.00 12.41 O ATOM 1524 CB LEU A 94 14.974 13.990 7.250 1.00 14.34 C ATOM 1525 CG LEU A 94 14.440 12.584 7.581 1.00 64.53 C ATOM 1526 CD1 LEU A 94 14.977 11.550 6.592 1.00 31.15 C ATOM 1527 CD2 LEU A 94 14.799 12.197 9.015 1.00 3.22 C ATOM 0 H LEU A 94 15.657 16.240 6.485 1.00 31.11 H new ATOM 0 HA LEU A 94 15.233 13.831 5.115 1.00 52.22 H new ATOM 0 HB2 LEU A 94 16.049 14.001 7.428 1.00 14.34 H new ATOM 0 HB3 LEU A 94 14.529 14.701 7.946 1.00 14.34 H new ATOM 0 HG LEU A 94 13.354 12.604 7.492 1.00 64.53 H new ATOM 0 HD11 LEU A 94 14.586 10.565 6.847 1.00 31.15 H new ATOM 0 HD12 LEU A 94 14.663 11.815 5.582 1.00 31.15 H new ATOM 0 HD13 LEU A 94 16.066 11.531 6.640 1.00 31.15 H new ATOM 0 HD21 LEU A 94 14.413 11.201 9.230 1.00 3.22 H new ATOM 0 HD22 LEU A 94 15.883 12.200 9.132 1.00 3.22 H new ATOM 0 HD23 LEU A 94 14.357 12.914 9.707 1.00 3.22 H new ATOM 1539 N HIS A 95 12.456 15.407 5.967 1.00 64.31 N ATOM 1540 CA HIS A 95 11.012 15.466 5.723 1.00 13.44 C ATOM 1541 C HIS A 95 10.692 15.467 4.220 1.00 32.42 C ATOM 1542 O HIS A 95 9.734 14.828 3.780 1.00 14.04 O ATOM 1543 CB HIS A 95 10.412 16.713 6.387 1.00 3.44 C ATOM 1544 CG HIS A 95 8.934 16.867 6.174 1.00 34.10 C ATOM 1545 ND1 HIS A 95 7.892 16.116 6.602 1.00 74.44 N flip ATOM 1546 CD2 HIS A 95 8.377 17.905 5.452 1.00 53.52 C flip ATOM 1547 CE1 HIS A 95 6.747 16.710 6.138 1.00 3.42 C flip ATOM 1548 NE2 HIS A 95 7.067 17.783 5.449 1.00 62.34 N flip ATOM 0 H HIS A 95 12.821 16.185 6.517 1.00 64.31 H new ATOM 0 HA HIS A 95 10.566 14.573 6.161 1.00 13.44 H new ATOM 0 HB2 HIS A 95 10.612 16.674 7.458 1.00 3.44 H new ATOM 0 HB3 HIS A 95 10.919 17.597 6.000 1.00 3.44 H new ATOM 0 HD2 HIS A 95 8.931 18.694 4.966 1.00 53.52 H new ATOM 0 HE1 HIS A 95 5.742 16.353 6.311 1.00 3.42 H new ATOM 0 HE2 HIS A 95 6.411 18.414 4.990 1.00 62.34 H new ATOM 1557 N ASN A 96 11.494 16.195 3.445 1.00 33.12 N ATOM 1558 CA ASN A 96 11.326 16.245 1.990 1.00 61.25 C ATOM 1559 C ASN A 96 11.575 14.863 1.362 1.00 13.45 C ATOM 1560 O ASN A 96 10.732 14.338 0.639 1.00 44.02 O ATOM 1561 CB ASN A 96 12.280 17.277 1.374 1.00 53.31 C ATOM 1562 CG ASN A 96 12.052 17.465 -0.119 1.00 60.02 C ATOM 1563 OD1 ASN A 96 10.931 17.367 -0.608 1.00 43.13 O ATOM 1564 ND2 ASN A 96 13.112 17.727 -0.856 1.00 60.33 N ATOM 0 H ASN A 96 12.267 16.759 3.798 1.00 33.12 H new ATOM 0 HA ASN A 96 10.298 16.542 1.781 1.00 61.25 H new ATOM 0 HB2 ASN A 96 12.152 18.233 1.881 1.00 53.31 H new ATOM 0 HB3 ASN A 96 13.310 16.962 1.544 1.00 53.31 H new ATOM 0 HD21 ASN A 96 13.014 17.855 -1.863 1.00 60.33 H new ATOM 0 HD22 ASN A 96 14.031 17.802 -0.419 1.00 60.33 H new ATOM 1571 N LYS A 97 12.726 14.270 1.664 1.00 72.41 N ATOM 1572 CA LYS A 97 13.108 12.972 1.086 1.00 3.21 C ATOM 1573 C LYS A 97 12.018 11.904 1.282 1.00 75.12 C ATOM 1574 O LYS A 97 11.568 11.276 0.319 1.00 23.43 O ATOM 1575 CB LYS A 97 14.417 12.476 1.712 1.00 31.21 C ATOM 1576 CG LYS A 97 15.602 13.409 1.494 1.00 75.41 C ATOM 1577 CD LYS A 97 16.870 12.859 2.144 1.00 62.20 C ATOM 1578 CE LYS A 97 18.072 13.759 1.894 1.00 75.12 C ATOM 1579 NZ LYS A 97 19.320 13.180 2.450 1.00 51.21 N ATOM 0 H LYS A 97 13.415 14.662 2.305 1.00 72.41 H new ATOM 0 HA LYS A 97 13.240 13.128 0.015 1.00 3.21 H new ATOM 0 HB2 LYS A 97 14.267 12.341 2.783 1.00 31.21 H new ATOM 0 HB3 LYS A 97 14.658 11.497 1.298 1.00 31.21 H new ATOM 0 HG2 LYS A 97 15.768 13.545 0.425 1.00 75.41 H new ATOM 0 HG3 LYS A 97 15.375 14.391 1.909 1.00 75.41 H new ATOM 0 HD2 LYS A 97 16.712 12.754 3.217 1.00 62.20 H new ATOM 0 HD3 LYS A 97 17.075 11.862 1.753 1.00 62.20 H new ATOM 0 HE2 LYS A 97 18.191 13.917 0.822 1.00 75.12 H new ATOM 0 HE3 LYS A 97 17.894 14.736 2.342 1.00 75.12 H new ATOM 0 HZ1 LYS A 97 20.116 13.822 2.259 1.00 51.21 H new ATOM 0 HZ2 LYS A 97 19.216 13.053 3.477 1.00 51.21 H new ATOM 0 HZ3 LYS A 97 19.504 12.259 2.004 1.00 51.21 H new ATOM 1593 N MET A 98 11.590 11.715 2.530 1.00 0.51 N ATOM 1594 CA MET A 98 10.621 10.665 2.863 1.00 44.33 C ATOM 1595 C MET A 98 9.245 10.913 2.210 1.00 60.33 C ATOM 1596 O MET A 98 8.559 9.965 1.827 1.00 4.32 O ATOM 1597 CB MET A 98 10.485 10.528 4.388 1.00 13.53 C ATOM 1598 CG MET A 98 9.904 11.753 5.083 1.00 73.52 C ATOM 1599 SD MET A 98 10.055 11.669 6.881 1.00 62.30 S ATOM 1600 CE MET A 98 9.264 10.100 7.234 1.00 51.51 C ATOM 0 H MET A 98 11.897 12.273 3.327 1.00 0.51 H new ATOM 0 HA MET A 98 11.001 9.728 2.456 1.00 44.33 H new ATOM 0 HB2 MET A 98 9.853 9.667 4.608 1.00 13.53 H new ATOM 0 HB3 MET A 98 11.468 10.318 4.810 1.00 13.53 H new ATOM 0 HG2 MET A 98 10.412 12.647 4.721 1.00 73.52 H new ATOM 0 HG3 MET A 98 8.852 11.854 4.815 1.00 73.52 H new ATOM 0 HE1 MET A 98 8.552 10.227 8.049 1.00 51.51 H new ATOM 0 HE2 MET A 98 8.739 9.749 6.345 1.00 51.51 H new ATOM 0 HE3 MET A 98 10.019 9.369 7.522 1.00 51.51 H new ATOM 1610 N LYS A 99 8.840 12.181 2.068 1.00 12.30 N ATOM 1611 CA LYS A 99 7.557 12.491 1.416 1.00 54.31 C ATOM 1612 C LYS A 99 7.647 12.272 -0.103 1.00 65.24 C ATOM 1613 O LYS A 99 6.662 11.916 -0.744 1.00 31.04 O ATOM 1614 CB LYS A 99 7.098 13.933 1.702 1.00 70.34 C ATOM 1615 CG LYS A 99 7.951 15.003 1.025 1.00 13.42 C ATOM 1616 CD LYS A 99 7.277 16.373 1.014 1.00 21.03 C ATOM 1617 CE LYS A 99 6.020 16.374 0.147 1.00 40.10 C ATOM 1618 NZ LYS A 99 5.485 17.745 -0.060 1.00 2.31 N ATOM 0 H LYS A 99 9.367 12.994 2.387 1.00 12.30 H new ATOM 0 HA LYS A 99 6.818 11.809 1.836 1.00 54.31 H new ATOM 0 HB2 LYS A 99 6.065 14.046 1.374 1.00 70.34 H new ATOM 0 HB3 LYS A 99 7.111 14.100 2.779 1.00 70.34 H new ATOM 0 HG2 LYS A 99 8.909 15.078 1.540 1.00 13.42 H new ATOM 0 HG3 LYS A 99 8.163 14.698 0.000 1.00 13.42 H new ATOM 0 HD2 LYS A 99 7.017 16.659 2.033 1.00 21.03 H new ATOM 0 HD3 LYS A 99 7.977 17.121 0.642 1.00 21.03 H new ATOM 0 HE2 LYS A 99 6.246 15.924 -0.820 1.00 40.10 H new ATOM 0 HE3 LYS A 99 5.256 15.754 0.616 1.00 40.10 H new ATOM 0 HZ1 LYS A 99 4.632 17.699 -0.654 1.00 2.31 H new ATOM 0 HZ2 LYS A 99 5.244 18.166 0.860 1.00 2.31 H new ATOM 0 HZ3 LYS A 99 6.204 18.331 -0.531 1.00 2.31 H new ATOM 1632 N ARG A 100 8.834 12.497 -0.674 1.00 20.21 N ATOM 1633 CA ARG A 100 9.066 12.272 -2.108 1.00 4.30 C ATOM 1634 C ARG A 100 8.809 10.809 -2.481 1.00 54.21 C ATOM 1635 O ARG A 100 8.006 10.508 -3.367 1.00 44.24 O ATOM 1636 CB ARG A 100 10.508 12.648 -2.479 1.00 65.11 C ATOM 1637 CG ARG A 100 10.824 14.129 -2.321 1.00 44.22 C ATOM 1638 CD ARG A 100 9.989 14.991 -3.254 1.00 13.13 C ATOM 1639 NE ARG A 100 10.248 16.410 -3.046 1.00 54.40 N ATOM 1640 CZ ARG A 100 10.949 17.157 -3.851 1.00 32.32 C ATOM 1641 NH1 ARG A 100 11.484 16.660 -4.921 1.00 70.41 N ATOM 1642 NH2 ARG A 100 11.132 18.404 -3.573 1.00 23.40 N ATOM 0 H ARG A 100 9.651 12.835 -0.166 1.00 20.21 H new ATOM 0 HA ARG A 100 8.372 12.903 -2.663 1.00 4.30 H new ATOM 0 HB2 ARG A 100 11.194 12.073 -1.857 1.00 65.11 H new ATOM 0 HB3 ARG A 100 10.694 12.356 -3.513 1.00 65.11 H new ATOM 0 HG2 ARG A 100 10.643 14.431 -1.289 1.00 44.22 H new ATOM 0 HG3 ARG A 100 11.882 14.298 -2.521 1.00 44.22 H new ATOM 0 HD2 ARG A 100 10.209 14.728 -4.289 1.00 13.13 H new ATOM 0 HD3 ARG A 100 8.931 14.786 -3.091 1.00 13.13 H new ATOM 0 HE ARG A 100 9.854 16.848 -2.214 1.00 54.40 H new ATOM 0 HH11 ARG A 100 11.359 15.672 -5.142 1.00 70.41 H new ATOM 0 HH12 ARG A 100 12.030 17.257 -5.542 1.00 70.41 H new ATOM 0 HH21 ARG A 100 10.728 18.802 -2.725 1.00 23.40 H new ATOM 0 HH22 ARG A 100 11.680 18.991 -4.201 1.00 23.40 H new ATOM 1656 N GLU A 101 9.496 9.905 -1.788 1.00 61.21 N ATOM 1657 CA GLU A 101 9.341 8.467 -2.020 1.00 5.35 C ATOM 1658 C GLU A 101 7.903 8.010 -1.719 1.00 22.11 C ATOM 1659 O GLU A 101 7.325 7.210 -2.459 1.00 13.42 O ATOM 1660 CB GLU A 101 10.344 7.690 -1.152 1.00 1.44 C ATOM 1661 CG GLU A 101 11.792 8.139 -1.345 1.00 54.40 C ATOM 1662 CD GLU A 101 12.786 7.371 -0.482 1.00 64.43 C ATOM 1663 OE1 GLU A 101 12.788 7.569 0.751 1.00 4.35 O ATOM 1664 OE2 GLU A 101 13.578 6.577 -1.036 1.00 62.25 O ATOM 0 H GLU A 101 10.168 10.141 -1.058 1.00 61.21 H new ATOM 0 HA GLU A 101 9.543 8.262 -3.071 1.00 5.35 H new ATOM 0 HB2 GLU A 101 10.072 7.807 -0.103 1.00 1.44 H new ATOM 0 HB3 GLU A 101 10.267 6.628 -1.384 1.00 1.44 H new ATOM 0 HG2 GLU A 101 12.065 8.019 -2.394 1.00 54.40 H new ATOM 0 HG3 GLU A 101 11.868 9.202 -1.115 1.00 54.40 H new ATOM 1671 N LEU A 102 7.332 8.534 -0.633 1.00 64.15 N ATOM 1672 CA LEU A 102 5.955 8.204 -0.241 1.00 1.03 C ATOM 1673 C LEU A 102 4.929 8.636 -1.302 1.00 63.41 C ATOM 1674 O LEU A 102 4.088 7.840 -1.720 1.00 25.03 O ATOM 1675 CB LEU A 102 5.614 8.855 1.107 1.00 22.02 C ATOM 1676 CG LEU A 102 4.180 8.610 1.610 1.00 42.15 C ATOM 1677 CD1 LEU A 102 3.891 7.117 1.721 1.00 4.25 C ATOM 1678 CD2 LEU A 102 3.949 9.305 2.951 1.00 64.44 C ATOM 0 H LEU A 102 7.800 9.189 -0.007 1.00 64.15 H new ATOM 0 HA LEU A 102 5.899 7.119 -0.149 1.00 1.03 H new ATOM 0 HB2 LEU A 102 6.313 8.486 1.858 1.00 22.02 H new ATOM 0 HB3 LEU A 102 5.774 9.930 1.024 1.00 22.02 H new ATOM 0 HG LEU A 102 3.490 9.036 0.882 1.00 42.15 H new ATOM 0 HD11 LEU A 102 2.872 6.969 2.078 1.00 4.25 H new ATOM 0 HD12 LEU A 102 4.003 6.651 0.742 1.00 4.25 H new ATOM 0 HD13 LEU A 102 4.591 6.662 2.422 1.00 4.25 H new ATOM 0 HD21 LEU A 102 2.929 9.118 3.287 1.00 64.44 H new ATOM 0 HD22 LEU A 102 4.651 8.916 3.688 1.00 64.44 H new ATOM 0 HD23 LEU A 102 4.102 10.378 2.836 1.00 64.44 H new ATOM 1690 N GLN A 103 5.002 9.895 -1.732 1.00 3.14 N ATOM 1691 CA GLN A 103 4.069 10.430 -2.733 1.00 32.22 C ATOM 1692 C GLN A 103 4.066 9.584 -4.011 1.00 14.24 C ATOM 1693 O GLN A 103 3.014 9.350 -4.594 1.00 65.01 O ATOM 1694 CB GLN A 103 4.406 11.894 -3.055 1.00 13.50 C ATOM 1695 CG GLN A 103 3.962 12.878 -1.974 1.00 60.53 C ATOM 1696 CD GLN A 103 2.454 13.086 -1.946 1.00 43.31 C ATOM 1697 OE1 GLN A 103 1.925 13.992 -2.589 1.00 22.33 O ATOM 1698 NE2 GLN A 103 1.744 12.251 -1.213 1.00 51.41 N ATOM 0 H GLN A 103 5.696 10.567 -1.405 1.00 3.14 H new ATOM 0 HA GLN A 103 3.067 10.387 -2.307 1.00 32.22 H new ATOM 0 HB2 GLN A 103 5.483 11.987 -3.198 1.00 13.50 H new ATOM 0 HB3 GLN A 103 3.934 12.167 -3.999 1.00 13.50 H new ATOM 0 HG2 GLN A 103 4.292 12.514 -1.001 1.00 60.53 H new ATOM 0 HG3 GLN A 103 4.453 13.837 -2.139 1.00 60.53 H new ATOM 0 HE21 GLN A 103 2.209 11.509 -0.690 1.00 51.41 H new ATOM 0 HE22 GLN A 103 0.729 12.347 -1.169 1.00 51.41 H new ATOM 1707 N ARG A 104 5.239 9.110 -4.429 1.00 64.33 N ATOM 1708 CA ARG A 104 5.339 8.216 -5.591 1.00 31.24 C ATOM 1709 C ARG A 104 4.510 6.938 -5.379 1.00 43.13 C ATOM 1710 O ARG A 104 3.792 6.491 -6.273 1.00 4.53 O ATOM 1711 CB ARG A 104 6.805 7.848 -5.860 1.00 1.04 C ATOM 1712 CG ARG A 104 7.716 9.040 -6.161 1.00 23.14 C ATOM 1713 CD ARG A 104 7.413 9.694 -7.512 1.00 4.52 C ATOM 1714 NE ARG A 104 6.192 10.506 -7.496 1.00 62.53 N ATOM 1715 CZ ARG A 104 6.126 11.740 -7.919 1.00 43.15 C ATOM 1716 NH1 ARG A 104 7.177 12.346 -8.379 1.00 25.44 N ATOM 1717 NH2 ARG A 104 5.001 12.367 -7.891 1.00 1.23 N ATOM 0 H ARG A 104 6.132 9.326 -3.985 1.00 64.33 H new ATOM 0 HA ARG A 104 4.940 8.746 -6.455 1.00 31.24 H new ATOM 0 HB2 ARG A 104 7.198 7.317 -4.993 1.00 1.04 H new ATOM 0 HB3 ARG A 104 6.844 7.156 -6.701 1.00 1.04 H new ATOM 0 HG2 ARG A 104 7.607 9.783 -5.371 1.00 23.14 H new ATOM 0 HG3 ARG A 104 8.755 8.710 -6.147 1.00 23.14 H new ATOM 0 HD2 ARG A 104 8.256 10.321 -7.803 1.00 4.52 H new ATOM 0 HD3 ARG A 104 7.316 8.918 -8.271 1.00 4.52 H new ATOM 0 HE ARG A 104 5.340 10.080 -7.131 1.00 62.53 H new ATOM 0 HH11 ARG A 104 8.072 11.858 -8.414 1.00 25.44 H new ATOM 0 HH12 ARG A 104 7.108 13.310 -8.705 1.00 25.44 H new ATOM 0 HH21 ARG A 104 4.165 11.900 -7.539 1.00 1.23 H new ATOM 0 HH22 ARG A 104 4.946 13.331 -8.221 1.00 1.23 H new ATOM 1731 N VAL A 105 4.613 6.362 -4.182 1.00 10.23 N ATOM 1732 CA VAL A 105 3.827 5.178 -3.822 1.00 71.33 C ATOM 1733 C VAL A 105 2.323 5.502 -3.821 1.00 62.34 C ATOM 1734 O VAL A 105 1.494 4.689 -4.246 1.00 75.21 O ATOM 1735 CB VAL A 105 4.241 4.628 -2.431 1.00 71.22 C ATOM 1736 CG1 VAL A 105 3.447 3.370 -2.073 1.00 54.12 C ATOM 1737 CG2 VAL A 105 5.741 4.348 -2.387 1.00 14.05 C ATOM 0 H VAL A 105 5.233 6.695 -3.443 1.00 10.23 H new ATOM 0 HA VAL A 105 4.028 4.413 -4.572 1.00 71.33 H new ATOM 0 HB VAL A 105 4.010 5.392 -1.688 1.00 71.22 H new ATOM 0 HG11 VAL A 105 3.760 3.009 -1.093 1.00 54.12 H new ATOM 0 HG12 VAL A 105 2.383 3.606 -2.050 1.00 54.12 H new ATOM 0 HG13 VAL A 105 3.632 2.598 -2.820 1.00 54.12 H new ATOM 0 HG21 VAL A 105 6.011 3.963 -1.403 1.00 14.05 H new ATOM 0 HG22 VAL A 105 5.996 3.610 -3.148 1.00 14.05 H new ATOM 0 HG23 VAL A 105 6.289 5.271 -2.578 1.00 14.05 H new ATOM 1747 N GLU A 106 1.979 6.699 -3.349 1.00 55.35 N ATOM 1748 CA GLU A 106 0.590 7.161 -3.358 1.00 22.12 C ATOM 1749 C GLU A 106 0.089 7.382 -4.793 1.00 53.34 C ATOM 1750 O GLU A 106 -1.052 7.050 -5.110 1.00 75.41 O ATOM 1751 CB GLU A 106 0.431 8.448 -2.539 1.00 71.24 C ATOM 1752 CG GLU A 106 0.734 8.281 -1.052 1.00 42.42 C ATOM 1753 CD GLU A 106 0.279 9.478 -0.231 1.00 42.21 C ATOM 1754 OE1 GLU A 106 -0.924 9.815 -0.292 1.00 52.11 O ATOM 1755 OE2 GLU A 106 1.102 10.082 0.486 1.00 60.42 O ATOM 0 H GLU A 106 2.642 7.367 -2.956 1.00 55.35 H new ATOM 0 HA GLU A 106 -0.016 6.381 -2.897 1.00 22.12 H new ATOM 0 HB2 GLU A 106 1.091 9.212 -2.950 1.00 71.24 H new ATOM 0 HB3 GLU A 106 -0.589 8.814 -2.652 1.00 71.24 H new ATOM 0 HG2 GLU A 106 0.242 7.382 -0.682 1.00 42.42 H new ATOM 0 HG3 GLU A 106 1.806 8.137 -0.916 1.00 42.42 H new ATOM 1762 N ASP A 107 0.947 7.924 -5.662 1.00 43.12 N ATOM 1763 CA ASP A 107 0.608 8.098 -7.081 1.00 52.42 C ATOM 1764 C ASP A 107 0.228 6.756 -7.721 1.00 64.34 C ATOM 1765 O ASP A 107 -0.601 6.694 -8.630 1.00 3.23 O ATOM 1766 CB ASP A 107 1.775 8.729 -7.854 1.00 63.13 C ATOM 1767 CG ASP A 107 2.012 10.184 -7.482 1.00 60.21 C ATOM 1768 OD1 ASP A 107 1.058 10.987 -7.574 1.00 51.53 O ATOM 1769 OD2 ASP A 107 3.152 10.539 -7.113 1.00 5.21 O ATOM 0 H ASP A 107 1.880 8.250 -5.410 1.00 43.12 H new ATOM 0 HA ASP A 107 -0.249 8.769 -7.133 1.00 52.42 H new ATOM 0 HB2 ASP A 107 2.683 8.157 -7.662 1.00 63.13 H new ATOM 0 HB3 ASP A 107 1.575 8.660 -8.923 1.00 63.13 H new ATOM 1774 N SER A 108 0.838 5.682 -7.231 1.00 4.44 N ATOM 1775 CA SER A 108 0.522 4.332 -7.703 1.00 63.34 C ATOM 1776 C SER A 108 -0.826 3.833 -7.156 1.00 13.03 C ATOM 1777 O SER A 108 -1.574 3.170 -7.865 1.00 24.41 O ATOM 1778 CB SER A 108 1.636 3.349 -7.315 1.00 22.52 C ATOM 1779 OG SER A 108 2.855 3.678 -7.959 1.00 32.14 O ATOM 0 H SER A 108 1.555 5.717 -6.506 1.00 4.44 H new ATOM 0 HA SER A 108 0.446 4.382 -8.789 1.00 63.34 H new ATOM 0 HB2 SER A 108 1.777 3.363 -6.234 1.00 22.52 H new ATOM 0 HB3 SER A 108 1.341 2.335 -7.585 1.00 22.52 H new ATOM 0 HG SER A 108 3.548 3.038 -7.694 1.00 32.14 H new ATOM 1785 N HIS A 109 -1.142 4.149 -5.897 1.00 61.03 N ATOM 1786 CA HIS A 109 -2.376 3.642 -5.272 1.00 71.54 C ATOM 1787 C HIS A 109 -3.609 4.513 -5.553 1.00 4.14 C ATOM 1788 O HIS A 109 -4.732 4.013 -5.555 1.00 51.12 O ATOM 1789 CB HIS A 109 -2.175 3.474 -3.770 1.00 41.14 C ATOM 1790 CG HIS A 109 -1.306 2.307 -3.445 1.00 4.22 C ATOM 1791 ND1 HIS A 109 -1.788 1.022 -3.370 1.00 41.34 N ATOM 1792 CD2 HIS A 109 0.018 2.224 -3.191 1.00 53.20 C ATOM 1793 CE1 HIS A 109 -0.806 0.198 -3.088 1.00 14.14 C ATOM 1794 NE2 HIS A 109 0.305 0.901 -2.972 1.00 75.53 N ATOM 0 H HIS A 109 -0.573 4.744 -5.295 1.00 61.03 H new ATOM 0 HA HIS A 109 -2.577 2.673 -5.729 1.00 71.54 H new ATOM 0 HB2 HIS A 109 -1.730 4.381 -3.361 1.00 41.14 H new ATOM 0 HB3 HIS A 109 -3.144 3.349 -3.287 1.00 41.14 H new ATOM 0 HD1 HIS A 109 -2.761 0.750 -3.512 1.00 41.34 H new ATOM 0 HD2 HIS A 109 0.719 3.045 -3.165 1.00 53.20 H new ATOM 0 HE1 HIS A 109 -0.892 -0.872 -2.971 1.00 14.14 H new ATOM 1803 N GLN A 110 -3.406 5.806 -5.787 1.00 74.21 N ATOM 1804 CA GLN A 110 -4.519 6.709 -6.107 1.00 54.15 C ATOM 1805 C GLN A 110 -5.333 6.186 -7.304 1.00 41.45 C ATOM 1806 O GLN A 110 -6.540 6.407 -7.393 1.00 2.23 O ATOM 1807 CB GLN A 110 -4.005 8.128 -6.387 1.00 2.24 C ATOM 1808 CG GLN A 110 -3.119 8.240 -7.624 1.00 13.23 C ATOM 1809 CD GLN A 110 -2.537 9.632 -7.826 1.00 64.04 C ATOM 1810 OE1 GLN A 110 -2.248 10.331 -6.744 1.00 32.23 O flip ATOM 1811 NE2 GLN A 110 -2.328 10.070 -8.953 1.00 70.51 N flip ATOM 0 H GLN A 110 -2.490 6.254 -5.763 1.00 74.21 H new ATOM 0 HA GLN A 110 -5.178 6.744 -5.240 1.00 54.15 H new ATOM 0 HB2 GLN A 110 -4.859 8.795 -6.504 1.00 2.24 H new ATOM 0 HB3 GLN A 110 -3.445 8.477 -5.520 1.00 2.24 H new ATOM 0 HG2 GLN A 110 -2.303 7.521 -7.544 1.00 13.23 H new ATOM 0 HG3 GLN A 110 -3.700 7.966 -8.504 1.00 13.23 H new ATOM 0 HE21 GLN A 110 -2.562 9.507 -9.771 1.00 70.51 H new ATOM 0 HE22 GLN A 110 -1.920 10.997 -9.072 1.00 70.51 H new ATOM 1820 N ILE A 111 -4.663 5.495 -8.229 1.00 14.22 N ATOM 1821 CA ILE A 111 -5.352 4.844 -9.345 1.00 20.33 C ATOM 1822 C ILE A 111 -5.897 3.462 -8.936 1.00 72.52 C ATOM 1823 O ILE A 111 -6.969 3.062 -9.376 1.00 32.51 O ATOM 1824 CB ILE A 111 -4.440 4.694 -10.593 1.00 31.35 C ATOM 1825 CG1 ILE A 111 -3.209 3.826 -10.274 1.00 4.54 C ATOM 1826 CG2 ILE A 111 -4.017 6.069 -11.108 1.00 73.30 C ATOM 1827 CD1 ILE A 111 -2.300 3.581 -11.462 1.00 42.41 C ATOM 0 H ILE A 111 -3.650 5.372 -8.228 1.00 14.22 H new ATOM 0 HA ILE A 111 -6.186 5.494 -9.610 1.00 20.33 H new ATOM 0 HB ILE A 111 -5.008 4.191 -11.376 1.00 31.35 H new ATOM 0 HG12 ILE A 111 -2.634 4.307 -9.483 1.00 4.54 H new ATOM 0 HG13 ILE A 111 -3.546 2.866 -9.884 1.00 4.54 H new ATOM 0 HG21 ILE A 111 -3.378 5.949 -11.983 1.00 73.30 H new ATOM 0 HG22 ILE A 111 -4.902 6.643 -11.381 1.00 73.30 H new ATOM 0 HG23 ILE A 111 -3.469 6.597 -10.328 1.00 73.30 H new ATOM 0 HD11 ILE A 111 -1.457 2.962 -11.154 1.00 42.41 H new ATOM 0 HD12 ILE A 111 -2.857 3.070 -12.247 1.00 42.41 H new ATOM 0 HD13 ILE A 111 -1.931 4.534 -11.840 1.00 42.41 H new ATOM 1839 N LEU A 112 -5.165 2.743 -8.079 1.00 23.51 N ATOM 1840 CA LEU A 112 -5.585 1.402 -7.636 1.00 0.31 C ATOM 1841 C LEU A 112 -6.927 1.445 -6.886 1.00 3.22 C ATOM 1842 O LEU A 112 -7.885 0.768 -7.262 1.00 4.41 O ATOM 1843 CB LEU A 112 -4.510 0.763 -6.741 1.00 62.00 C ATOM 1844 CG LEU A 112 -3.135 0.565 -7.399 1.00 11.11 C ATOM 1845 CD1 LEU A 112 -2.192 -0.199 -6.470 1.00 73.31 C ATOM 1846 CD2 LEU A 112 -3.275 -0.151 -8.736 1.00 15.04 C ATOM 0 H LEU A 112 -4.283 3.061 -7.678 1.00 23.51 H new ATOM 0 HA LEU A 112 -5.715 0.794 -8.531 1.00 0.31 H new ATOM 0 HB2 LEU A 112 -4.383 1.385 -5.855 1.00 62.00 H new ATOM 0 HB3 LEU A 112 -4.874 -0.207 -6.401 1.00 62.00 H new ATOM 0 HG LEU A 112 -2.703 1.549 -7.584 1.00 11.11 H new ATOM 0 HD11 LEU A 112 -1.226 -0.327 -6.958 1.00 73.31 H new ATOM 0 HD12 LEU A 112 -2.060 0.361 -5.544 1.00 73.31 H new ATOM 0 HD13 LEU A 112 -2.617 -1.177 -6.245 1.00 73.31 H new ATOM 0 HD21 LEU A 112 -2.290 -0.281 -9.184 1.00 15.04 H new ATOM 0 HD22 LEU A 112 -3.734 -1.127 -8.580 1.00 15.04 H new ATOM 0 HD23 LEU A 112 -3.902 0.442 -9.402 1.00 15.04 H new ATOM 1858 N SER A 113 -6.990 2.251 -5.832 1.00 55.42 N ATOM 1859 CA SER A 113 -8.224 2.415 -5.047 1.00 2.41 C ATOM 1860 C SER A 113 -9.403 2.874 -5.924 1.00 15.23 C ATOM 1861 O SER A 113 -10.536 2.423 -5.748 1.00 41.32 O ATOM 1862 CB SER A 113 -7.999 3.420 -3.906 1.00 4.34 C ATOM 1863 OG SER A 113 -9.172 3.591 -3.121 1.00 51.04 O ATOM 0 H SER A 113 -6.203 2.805 -5.495 1.00 55.42 H new ATOM 0 HA SER A 113 -8.478 1.441 -4.629 1.00 2.41 H new ATOM 0 HB2 SER A 113 -7.183 3.074 -3.271 1.00 4.34 H new ATOM 0 HB3 SER A 113 -7.695 4.381 -4.321 1.00 4.34 H new ATOM 0 HG SER A 113 -8.995 4.235 -2.404 1.00 51.04 H new ATOM 1869 N GLN A 114 -9.130 3.760 -6.882 1.00 10.00 N ATOM 1870 CA GLN A 114 -10.180 4.301 -7.760 1.00 4.04 C ATOM 1871 C GLN A 114 -10.605 3.307 -8.858 1.00 73.02 C ATOM 1872 O GLN A 114 -11.768 3.290 -9.265 1.00 30.41 O ATOM 1873 CB GLN A 114 -9.725 5.626 -8.379 1.00 44.41 C ATOM 1874 CG GLN A 114 -9.629 6.770 -7.371 1.00 34.10 C ATOM 1875 CD GLN A 114 -10.962 7.081 -6.704 1.00 61.41 C ATOM 1876 OE1 GLN A 114 -11.742 7.886 -7.195 1.00 12.42 O ATOM 1877 NE2 GLN A 114 -11.230 6.455 -5.573 1.00 42.25 N ATOM 0 H GLN A 114 -8.195 4.120 -7.073 1.00 10.00 H new ATOM 0 HA GLN A 114 -11.058 4.477 -7.138 1.00 4.04 H new ATOM 0 HB2 GLN A 114 -8.751 5.483 -8.848 1.00 44.41 H new ATOM 0 HB3 GLN A 114 -10.421 5.906 -9.169 1.00 44.41 H new ATOM 0 HG2 GLN A 114 -8.896 6.514 -6.606 1.00 34.10 H new ATOM 0 HG3 GLN A 114 -9.263 7.664 -7.876 1.00 34.10 H new ATOM 0 HE21 GLN A 114 -10.560 5.789 -5.188 1.00 42.25 H new ATOM 0 HE22 GLN A 114 -12.107 6.637 -5.085 1.00 42.25 H new ATOM 1886 N THR A 115 -9.672 2.486 -9.345 1.00 11.20 N ATOM 1887 CA THR A 115 -10.027 1.408 -10.286 1.00 50.34 C ATOM 1888 C THR A 115 -10.907 0.373 -9.584 1.00 32.15 C ATOM 1889 O THR A 115 -11.971 0.010 -10.080 1.00 72.24 O ATOM 1890 CB THR A 115 -8.790 0.686 -10.888 1.00 21.43 C ATOM 1891 OG1 THR A 115 -7.960 0.164 -9.844 1.00 21.22 O ATOM 1892 CG2 THR A 115 -7.976 1.623 -11.778 1.00 70.14 C ATOM 0 H THR A 115 -8.680 2.540 -9.112 1.00 11.20 H new ATOM 0 HA THR A 115 -10.562 1.883 -11.108 1.00 50.34 H new ATOM 0 HB THR A 115 -9.155 -0.137 -11.503 1.00 21.43 H new ATOM 0 HG1 THR A 115 -8.008 0.753 -9.062 1.00 21.22 H new ATOM 0 HG21 THR A 115 -7.118 1.086 -12.183 1.00 70.14 H new ATOM 0 HG22 THR A 115 -8.600 1.980 -12.597 1.00 70.14 H new ATOM 0 HG23 THR A 115 -7.628 2.472 -11.190 1.00 70.14 H new ATOM 1900 N SER A 116 -10.456 -0.078 -8.412 1.00 42.14 N ATOM 1901 CA SER A 116 -11.252 -0.968 -7.550 1.00 73.40 C ATOM 1902 C SER A 116 -12.644 -0.376 -7.296 1.00 55.24 C ATOM 1903 O SER A 116 -13.659 -1.070 -7.385 1.00 33.01 O ATOM 1904 CB SER A 116 -10.538 -1.189 -6.207 1.00 71.33 C ATOM 1905 OG SER A 116 -11.307 -2.009 -5.341 1.00 4.50 O ATOM 0 H SER A 116 -9.539 0.157 -8.032 1.00 42.14 H new ATOM 0 HA SER A 116 -11.362 -1.924 -8.063 1.00 73.40 H new ATOM 0 HB2 SER A 116 -9.567 -1.652 -6.381 1.00 71.33 H new ATOM 0 HB3 SER A 116 -10.352 -0.227 -5.730 1.00 71.33 H new ATOM 0 HG SER A 116 -10.827 -2.133 -4.496 1.00 4.50 H new ATOM 1911 N HIS A 117 -12.677 0.921 -6.985 1.00 20.44 N ATOM 1912 CA HIS A 117 -13.936 1.652 -6.808 1.00 1.44 C ATOM 1913 C HIS A 117 -14.838 1.536 -8.051 1.00 35.45 C ATOM 1914 O HIS A 117 -15.997 1.141 -7.947 1.00 60.34 O ATOM 1915 CB HIS A 117 -13.648 3.126 -6.497 1.00 3.41 C ATOM 1916 CG HIS A 117 -14.882 3.970 -6.379 1.00 23.35 C ATOM 1917 ND1 HIS A 117 -15.585 4.123 -5.206 1.00 51.31 N ATOM 1918 CD2 HIS A 117 -15.545 4.697 -7.306 1.00 2.44 C ATOM 1919 CE1 HIS A 117 -16.625 4.904 -5.415 1.00 42.12 C ATOM 1920 NE2 HIS A 117 -16.625 5.267 -6.682 1.00 13.24 N ATOM 0 H HIS A 117 -11.842 1.491 -6.850 1.00 20.44 H new ATOM 0 HA HIS A 117 -14.469 1.204 -5.969 1.00 1.44 H new ATOM 0 HB2 HIS A 117 -13.086 3.188 -5.565 1.00 3.41 H new ATOM 0 HB3 HIS A 117 -13.012 3.536 -7.281 1.00 3.41 H new ATOM 0 HD2 HIS A 117 -15.274 4.808 -8.346 1.00 2.44 H new ATOM 0 HE1 HIS A 117 -17.354 5.197 -4.674 1.00 42.12 H new ATOM 0 HE2 HIS A 117 -17.315 5.873 -7.126 1.00 13.24 H new ATOM 1929 N ASP A 118 -14.297 1.877 -9.223 1.00 14.34 N ATOM 1930 CA ASP A 118 -15.064 1.825 -10.478 1.00 51.42 C ATOM 1931 C ASP A 118 -15.598 0.405 -10.739 1.00 34.24 C ATOM 1932 O ASP A 118 -16.768 0.221 -11.082 1.00 32.21 O ATOM 1933 CB ASP A 118 -14.187 2.290 -11.650 1.00 43.21 C ATOM 1934 CG ASP A 118 -14.979 2.488 -12.935 1.00 22.13 C ATOM 1935 OD1 ASP A 118 -15.279 1.487 -13.620 1.00 0.12 O ATOM 1936 OD2 ASP A 118 -15.304 3.650 -13.269 1.00 12.12 O ATOM 0 H ASP A 118 -13.333 2.192 -9.333 1.00 14.34 H new ATOM 0 HA ASP A 118 -15.919 2.495 -10.386 1.00 51.42 H new ATOM 0 HB2 ASP A 118 -13.697 3.226 -11.382 1.00 43.21 H new ATOM 0 HB3 ASP A 118 -13.400 1.556 -11.823 1.00 43.21 H new ATOM 1941 N LEU A 119 -14.736 -0.593 -10.559 1.00 3.13 N ATOM 1942 CA LEU A 119 -15.129 -1.998 -10.716 1.00 1.15 C ATOM 1943 C LEU A 119 -16.243 -2.373 -9.723 1.00 51.03 C ATOM 1944 O LEU A 119 -17.164 -3.124 -10.056 1.00 53.42 O ATOM 1945 CB LEU A 119 -13.915 -2.916 -10.513 1.00 14.33 C ATOM 1946 CG LEU A 119 -12.721 -2.654 -11.450 1.00 0.41 C ATOM 1947 CD1 LEU A 119 -11.566 -3.597 -11.126 1.00 34.41 C ATOM 1948 CD2 LEU A 119 -13.132 -2.786 -12.916 1.00 31.22 C ATOM 0 H LEU A 119 -13.758 -0.458 -10.304 1.00 3.13 H new ATOM 0 HA LEU A 119 -15.512 -2.131 -11.728 1.00 1.15 H new ATOM 0 HB2 LEU A 119 -13.574 -2.816 -9.482 1.00 14.33 H new ATOM 0 HB3 LEU A 119 -14.237 -3.949 -10.644 1.00 14.33 H new ATOM 0 HG LEU A 119 -12.385 -1.630 -11.288 1.00 0.41 H new ATOM 0 HD11 LEU A 119 -10.732 -3.396 -11.799 1.00 34.41 H new ATOM 0 HD12 LEU A 119 -11.247 -3.440 -10.096 1.00 34.41 H new ATOM 0 HD13 LEU A 119 -11.893 -4.629 -11.252 1.00 34.41 H new ATOM 0 HD21 LEU A 119 -12.269 -2.596 -13.554 1.00 31.22 H new ATOM 0 HD22 LEU A 119 -13.504 -3.794 -13.100 1.00 31.22 H new ATOM 0 HD23 LEU A 119 -13.916 -2.063 -13.141 1.00 31.22 H new ATOM 1960 N ASN A 120 -16.157 -1.832 -8.507 1.00 1.22 N ATOM 1961 CA ASN A 120 -17.180 -2.052 -7.481 1.00 25.13 C ATOM 1962 C ASN A 120 -18.517 -1.421 -7.903 1.00 60.01 C ATOM 1963 O ASN A 120 -19.587 -1.984 -7.666 1.00 63.50 O ATOM 1964 CB ASN A 120 -16.706 -1.478 -6.140 1.00 75.45 C ATOM 1965 CG ASN A 120 -17.682 -1.741 -5.010 1.00 51.21 C ATOM 1966 OD1 ASN A 120 -17.635 -2.780 -4.362 1.00 4.23 O ATOM 1967 ND2 ASN A 120 -18.569 -0.801 -4.756 1.00 74.34 N ATOM 0 H ASN A 120 -15.386 -1.235 -8.207 1.00 1.22 H new ATOM 0 HA ASN A 120 -17.338 -3.124 -7.366 1.00 25.13 H new ATOM 0 HB2 ASN A 120 -15.738 -1.911 -5.886 1.00 75.45 H new ATOM 0 HB3 ASN A 120 -16.557 -0.403 -6.242 1.00 75.45 H new ATOM 0 HD21 ASN A 120 -19.243 -0.927 -4.001 1.00 74.34 H new ATOM 0 HD22 ASN A 120 -18.582 0.053 -5.314 1.00 74.34 H new ATOM 1974 N GLU A 121 -18.446 -0.252 -8.540 1.00 72.24 N ATOM 1975 CA GLU A 121 -19.638 0.401 -9.098 1.00 62.24 C ATOM 1976 C GLU A 121 -20.185 -0.405 -10.287 1.00 33.03 C ATOM 1977 O GLU A 121 -21.393 -0.471 -10.513 1.00 71.12 O ATOM 1978 CB GLU A 121 -19.307 1.835 -9.540 1.00 74.20 C ATOM 1979 CG GLU A 121 -18.680 2.684 -8.439 1.00 70.31 C ATOM 1980 CD GLU A 121 -18.508 4.143 -8.837 1.00 64.14 C ATOM 1981 OE1 GLU A 121 -17.650 4.431 -9.694 1.00 40.13 O ATOM 1982 OE2 GLU A 121 -19.213 5.011 -8.274 1.00 51.14 O ATOM 0 H GLU A 121 -17.578 0.264 -8.684 1.00 72.24 H new ATOM 0 HA GLU A 121 -20.402 0.442 -8.322 1.00 62.24 H new ATOM 0 HB2 GLU A 121 -18.626 1.796 -10.390 1.00 74.20 H new ATOM 0 HB3 GLU A 121 -20.220 2.320 -9.886 1.00 74.20 H new ATOM 0 HG2 GLU A 121 -19.302 2.628 -7.546 1.00 70.31 H new ATOM 0 HG3 GLU A 121 -17.707 2.268 -8.176 1.00 70.31 H new ATOM 1989 N CYS A 122 -19.275 -1.031 -11.029 1.00 63.31 N ATOM 1990 CA CYS A 122 -19.637 -1.904 -12.156 1.00 72.12 C ATOM 1991 C CYS A 122 -20.080 -3.296 -11.671 1.00 5.01 C ATOM 1992 O CYS A 122 -20.361 -4.181 -12.483 1.00 22.42 O ATOM 1993 CB CYS A 122 -18.446 -2.050 -13.117 1.00 72.21 C ATOM 1994 SG CYS A 122 -17.873 -0.492 -13.841 1.00 73.11 S ATOM 0 H CYS A 122 -18.270 -0.952 -10.872 1.00 63.31 H new ATOM 0 HA CYS A 122 -20.475 -1.440 -12.677 1.00 72.12 H new ATOM 0 HB2 CYS A 122 -17.618 -2.514 -12.582 1.00 72.21 H new ATOM 0 HB3 CYS A 122 -18.726 -2.729 -13.922 1.00 72.21 H new ATOM 0 HG CYS A 122 -17.239 0.198 -12.940 1.00 73.11 H new ATOM 2000 N SER A 123 -20.114 -3.485 -10.347 1.00 63.24 N ATOM 2001 CA SER A 123 -20.532 -4.760 -9.733 1.00 54.20 C ATOM 2002 C SER A 123 -19.662 -5.942 -10.198 1.00 43.10 C ATOM 2003 O SER A 123 -20.073 -7.100 -10.093 1.00 62.53 O ATOM 2004 CB SER A 123 -22.014 -5.051 -10.036 1.00 12.42 C ATOM 2005 OG SER A 123 -22.864 -4.056 -9.473 1.00 4.30 O ATOM 0 H SER A 123 -19.855 -2.766 -9.671 1.00 63.24 H new ATOM 0 HA SER A 123 -20.398 -4.651 -8.657 1.00 54.20 H new ATOM 0 HB2 SER A 123 -22.165 -5.093 -11.115 1.00 12.42 H new ATOM 0 HB3 SER A 123 -22.283 -6.029 -9.638 1.00 12.42 H new ATOM 0 HG SER A 123 -23.798 -4.266 -9.683 1.00 4.30 H new ATOM 2011 N TRP A 124 -18.451 -5.638 -10.687 1.00 35.42 N ATOM 2012 CA TRP A 124 -17.527 -6.662 -11.205 1.00 14.14 C ATOM 2013 C TRP A 124 -18.200 -7.561 -12.261 1.00 61.23 C ATOM 2014 O TRP A 124 -17.900 -8.751 -12.370 1.00 33.35 O ATOM 2015 CB TRP A 124 -16.967 -7.504 -10.048 1.00 53.15 C ATOM 2016 CG TRP A 124 -16.041 -6.734 -9.149 1.00 44.33 C ATOM 2017 CD1 TRP A 124 -16.389 -5.888 -8.134 1.00 54.31 C ATOM 2018 CD2 TRP A 124 -14.608 -6.742 -9.187 1.00 42.21 C ATOM 2019 NE1 TRP A 124 -15.262 -5.368 -7.545 1.00 25.04 N ATOM 2020 CE2 TRP A 124 -14.158 -5.876 -8.175 1.00 74.42 C ATOM 2021 CE3 TRP A 124 -13.664 -7.393 -9.987 1.00 41.44 C ATOM 2022 CZ2 TRP A 124 -12.803 -5.653 -7.934 1.00 1.50 C ATOM 2023 CZ3 TRP A 124 -12.322 -7.171 -9.747 1.00 65.21 C ATOM 2024 CH2 TRP A 124 -11.903 -6.304 -8.731 1.00 14.51 C ATOM 0 H TRP A 124 -18.086 -4.687 -10.735 1.00 35.42 H new ATOM 0 HA TRP A 124 -16.703 -6.148 -11.699 1.00 14.14 H new ATOM 0 HB2 TRP A 124 -17.796 -7.894 -9.457 1.00 53.15 H new ATOM 0 HB3 TRP A 124 -16.435 -8.363 -10.457 1.00 53.15 H new ATOM 0 HD1 TRP A 124 -17.403 -5.661 -7.838 1.00 54.31 H new ATOM 0 HE1 TRP A 124 -15.250 -4.711 -6.765 1.00 25.04 H new ATOM 0 HE3 TRP A 124 -13.978 -8.057 -10.778 1.00 41.44 H new ATOM 0 HZ2 TRP A 124 -12.476 -4.990 -7.146 1.00 1.50 H new ATOM 0 HZ3 TRP A 124 -11.584 -7.675 -10.353 1.00 65.21 H new ATOM 0 HH2 TRP A 124 -10.846 -6.146 -8.573 1.00 14.51 H new ATOM 2035 N SER A 125 -19.093 -6.966 -13.051 1.00 61.12 N ATOM 2036 CA SER A 125 -19.823 -7.694 -14.099 1.00 23.11 C ATOM 2037 C SER A 125 -18.870 -8.310 -15.138 1.00 72.44 C ATOM 2038 O SER A 125 -18.156 -7.595 -15.846 1.00 73.13 O ATOM 2039 CB SER A 125 -20.820 -6.759 -14.803 1.00 4.30 C ATOM 2040 OG SER A 125 -21.719 -6.162 -13.876 1.00 31.32 O ATOM 0 H SER A 125 -19.332 -5.976 -12.988 1.00 61.12 H new ATOM 0 HA SER A 125 -20.363 -8.506 -13.613 1.00 23.11 H new ATOM 0 HB2 SER A 125 -20.275 -5.980 -15.336 1.00 4.30 H new ATOM 0 HB3 SER A 125 -21.384 -7.321 -15.548 1.00 4.30 H new ATOM 0 HG SER A 125 -21.254 -5.461 -13.374 1.00 31.32 H new ATOM 2046 N LEU A 126 -18.882 -9.639 -15.237 1.00 52.30 N ATOM 2047 CA LEU A 126 -18.018 -10.366 -16.178 1.00 14.51 C ATOM 2048 C LEU A 126 -18.261 -9.921 -17.626 1.00 23.11 C ATOM 2049 O LEU A 126 -17.327 -9.837 -18.425 1.00 35.25 O ATOM 2050 CB LEU A 126 -18.245 -11.884 -16.059 1.00 14.34 C ATOM 2051 CG LEU A 126 -17.631 -12.571 -14.824 1.00 50.43 C ATOM 2052 CD1 LEU A 126 -16.114 -12.415 -14.817 1.00 61.01 C ATOM 2053 CD2 LEU A 126 -18.243 -12.033 -13.533 1.00 64.13 C ATOM 0 H LEU A 126 -19.483 -10.241 -14.675 1.00 52.30 H new ATOM 0 HA LEU A 126 -16.986 -10.133 -15.917 1.00 14.51 H new ATOM 0 HB2 LEU A 126 -19.319 -12.070 -16.056 1.00 14.34 H new ATOM 0 HB3 LEU A 126 -17.842 -12.361 -16.952 1.00 14.34 H new ATOM 0 HG LEU A 126 -17.862 -13.635 -14.882 1.00 50.43 H new ATOM 0 HD11 LEU A 126 -15.702 -12.908 -13.936 1.00 61.01 H new ATOM 0 HD12 LEU A 126 -15.697 -12.870 -15.716 1.00 61.01 H new ATOM 0 HD13 LEU A 126 -15.857 -11.356 -14.794 1.00 61.01 H new ATOM 0 HD21 LEU A 126 -17.790 -12.536 -12.679 1.00 64.13 H new ATOM 0 HD22 LEU A 126 -18.059 -10.961 -13.462 1.00 64.13 H new ATOM 0 HD23 LEU A 126 -19.317 -12.217 -13.535 1.00 64.13 H new ATOM 2065 N ASN A 127 -19.518 -9.630 -17.955 1.00 24.44 N ATOM 2066 CA ASN A 127 -19.885 -9.169 -19.300 1.00 70.23 C ATOM 2067 C ASN A 127 -19.135 -7.878 -19.685 1.00 41.43 C ATOM 2068 O ASN A 127 -18.943 -7.586 -20.867 1.00 54.33 O ATOM 2069 CB ASN A 127 -21.402 -8.949 -19.384 1.00 0.10 C ATOM 2070 CG ASN A 127 -21.862 -8.593 -20.788 1.00 72.13 C ATOM 2071 OD1 ASN A 127 -22.143 -9.464 -21.602 1.00 73.01 O ATOM 2072 ND2 ASN A 127 -21.952 -7.312 -21.082 1.00 22.41 N ATOM 0 H ASN A 127 -20.304 -9.704 -17.309 1.00 24.44 H new ATOM 0 HA ASN A 127 -19.593 -9.943 -20.010 1.00 70.23 H new ATOM 0 HB2 ASN A 127 -21.916 -9.852 -19.055 1.00 0.10 H new ATOM 0 HB3 ASN A 127 -21.689 -8.152 -18.698 1.00 0.10 H new ATOM 0 HD21 ASN A 127 -22.263 -7.022 -22.009 1.00 22.41 H new ATOM 0 HD22 ASN A 127 -21.711 -6.610 -20.382 1.00 22.41 H new ATOM 2079 N ILE A 128 -18.714 -7.109 -18.682 1.00 21.43 N ATOM 2080 CA ILE A 128 -17.953 -5.875 -18.912 1.00 71.25 C ATOM 2081 C ILE A 128 -16.434 -6.138 -18.881 1.00 20.41 C ATOM 2082 O ILE A 128 -15.672 -5.529 -19.630 1.00 52.23 O ATOM 2083 CB ILE A 128 -18.303 -4.800 -17.846 1.00 74.23 C ATOM 2084 CG1 ILE A 128 -19.815 -4.516 -17.848 1.00 44.24 C ATOM 2085 CG2 ILE A 128 -17.512 -3.512 -18.087 1.00 61.41 C ATOM 2086 CD1 ILE A 128 -20.253 -3.524 -16.789 1.00 64.53 C ATOM 0 H ILE A 128 -18.886 -7.317 -17.698 1.00 21.43 H new ATOM 0 HA ILE A 128 -18.230 -5.509 -19.901 1.00 71.25 H new ATOM 0 HB ILE A 128 -18.024 -5.188 -16.866 1.00 74.23 H new ATOM 0 HG12 ILE A 128 -20.103 -4.137 -18.829 1.00 44.24 H new ATOM 0 HG13 ILE A 128 -20.351 -5.453 -17.699 1.00 44.24 H new ATOM 0 HG21 ILE A 128 -17.775 -2.776 -17.327 1.00 61.41 H new ATOM 0 HG22 ILE A 128 -16.444 -3.725 -18.031 1.00 61.41 H new ATOM 0 HG23 ILE A 128 -17.752 -3.117 -19.074 1.00 61.41 H new ATOM 0 HD11 ILE A 128 -21.331 -3.375 -16.853 1.00 64.53 H new ATOM 0 HD12 ILE A 128 -19.998 -3.909 -15.802 1.00 64.53 H new ATOM 0 HD13 ILE A 128 -19.745 -2.573 -16.949 1.00 64.53 H new ATOM 2098 N LEU A 129 -16.008 -7.061 -18.018 1.00 31.42 N ATOM 2099 CA LEU A 129 -14.577 -7.328 -17.806 1.00 31.44 C ATOM 2100 C LEU A 129 -14.050 -8.483 -18.681 1.00 31.13 C ATOM 2101 O LEU A 129 -13.163 -8.290 -19.512 1.00 32.32 O ATOM 2102 CB LEU A 129 -14.328 -7.651 -16.326 1.00 1.52 C ATOM 2103 CG LEU A 129 -14.771 -6.566 -15.330 1.00 4.52 C ATOM 2104 CD1 LEU A 129 -14.502 -7.009 -13.894 1.00 31.33 C ATOM 2105 CD2 LEU A 129 -14.073 -5.239 -15.628 1.00 25.14 C ATOM 0 H LEU A 129 -16.630 -7.639 -17.452 1.00 31.42 H new ATOM 0 HA LEU A 129 -14.035 -6.428 -18.098 1.00 31.44 H new ATOM 0 HB2 LEU A 129 -14.847 -8.578 -16.082 1.00 1.52 H new ATOM 0 HB3 LEU A 129 -13.263 -7.835 -16.186 1.00 1.52 H new ATOM 0 HG LEU A 129 -15.845 -6.417 -15.444 1.00 4.52 H new ATOM 0 HD11 LEU A 129 -14.823 -6.227 -13.206 1.00 31.33 H new ATOM 0 HD12 LEU A 129 -15.055 -7.925 -13.686 1.00 31.33 H new ATOM 0 HD13 LEU A 129 -13.435 -7.192 -13.763 1.00 31.33 H new ATOM 0 HD21 LEU A 129 -14.401 -4.486 -14.911 1.00 25.14 H new ATOM 0 HD22 LEU A 129 -12.994 -5.370 -15.548 1.00 25.14 H new ATOM 0 HD23 LEU A 129 -14.326 -4.914 -16.637 1.00 25.14 H new ATOM 2117 N ALA A 130 -14.603 -9.681 -18.490 1.00 43.40 N ATOM 2118 CA ALA A 130 -14.141 -10.878 -19.210 1.00 33.30 C ATOM 2119 C ALA A 130 -14.601 -10.870 -20.674 1.00 54.14 C ATOM 2120 O ALA A 130 -13.861 -11.261 -21.578 1.00 33.41 O ATOM 2121 CB ALA A 130 -14.642 -12.132 -18.504 1.00 33.00 C ATOM 0 H ALA A 130 -15.373 -9.853 -17.843 1.00 43.40 H new ATOM 0 HA ALA A 130 -13.051 -10.873 -19.208 1.00 33.30 H new ATOM 0 HB1 ALA A 130 -14.297 -13.015 -19.042 1.00 33.00 H new ATOM 0 HB2 ALA A 130 -14.257 -12.154 -17.485 1.00 33.00 H new ATOM 0 HB3 ALA A 130 -15.732 -12.125 -18.480 1.00 33.00 H new ATOM 2272 N ASP A 140 -8.248 -0.353 -16.703 1.00 53.14 N ATOM 2273 CA ASP A 140 -8.283 -0.180 -15.238 1.00 32.50 C ATOM 2274 C ASP A 140 -8.139 -1.497 -14.445 1.00 13.33 C ATOM 2275 O ASP A 140 -7.384 -1.560 -13.474 1.00 62.03 O ATOM 2276 CB ASP A 140 -9.573 0.548 -14.852 1.00 12.12 C ATOM 2277 CG ASP A 140 -9.616 1.945 -15.444 1.00 64.14 C ATOM 2278 OD1 ASP A 140 -9.736 2.069 -16.678 1.00 73.53 O ATOM 2279 OD2 ASP A 140 -9.490 2.928 -14.684 1.00 3.31 O ATOM 0 HA ASP A 140 -7.411 0.414 -14.965 1.00 32.50 H new ATOM 0 HB2 ASP A 140 -10.434 -0.023 -15.200 1.00 12.12 H new ATOM 0 HB3 ASP A 140 -9.648 0.608 -13.766 1.00 12.12 H new ATOM 2284 N LEU A 141 -8.860 -2.540 -14.858 1.00 51.14 N ATOM 2285 CA LEU A 141 -8.762 -3.855 -14.204 1.00 4.34 C ATOM 2286 C LEU A 141 -7.330 -4.423 -14.273 1.00 31.32 C ATOM 2287 O LEU A 141 -6.714 -4.726 -13.250 1.00 13.23 O ATOM 2288 CB LEU A 141 -9.745 -4.836 -14.860 1.00 2.31 C ATOM 2289 CG LEU A 141 -9.656 -6.295 -14.371 1.00 61.52 C ATOM 2290 CD1 LEU A 141 -9.975 -6.398 -12.881 1.00 75.41 C ATOM 2291 CD2 LEU A 141 -10.584 -7.189 -15.191 1.00 43.34 C ATOM 0 H LEU A 141 -9.516 -2.505 -15.638 1.00 51.14 H new ATOM 0 HA LEU A 141 -9.017 -3.725 -13.152 1.00 4.34 H new ATOM 0 HB2 LEU A 141 -10.759 -4.475 -14.688 1.00 2.31 H new ATOM 0 HB3 LEU A 141 -9.580 -4.822 -15.937 1.00 2.31 H new ATOM 0 HG LEU A 141 -8.632 -6.639 -14.513 1.00 61.52 H new ATOM 0 HD11 LEU A 141 -9.904 -7.439 -12.565 1.00 75.41 H new ATOM 0 HD12 LEU A 141 -9.264 -5.797 -12.314 1.00 75.41 H new ATOM 0 HD13 LEU A 141 -10.985 -6.031 -12.699 1.00 75.41 H new ATOM 0 HD21 LEU A 141 -10.510 -8.216 -14.833 1.00 43.34 H new ATOM 0 HD22 LEU A 141 -11.612 -6.841 -15.085 1.00 43.34 H new ATOM 0 HD23 LEU A 141 -10.294 -7.149 -16.241 1.00 43.34 H new ATOM 2303 N ASP A 142 -6.810 -4.552 -15.491 1.00 65.33 N ATOM 2304 CA ASP A 142 -5.460 -5.082 -15.723 1.00 43.23 C ATOM 2305 C ASP A 142 -4.382 -4.151 -15.132 1.00 64.34 C ATOM 2306 O ASP A 142 -3.317 -4.598 -14.692 1.00 61.52 O ATOM 2307 CB ASP A 142 -5.259 -5.261 -17.234 1.00 52.45 C ATOM 2308 CG ASP A 142 -3.916 -5.868 -17.593 1.00 11.13 C ATOM 2309 OD1 ASP A 142 -3.685 -7.047 -17.261 1.00 60.40 O ATOM 2310 OD2 ASP A 142 -3.099 -5.177 -18.235 1.00 22.14 O ATOM 0 H ASP A 142 -7.306 -4.295 -16.344 1.00 65.33 H new ATOM 0 HA ASP A 142 -5.359 -6.044 -15.220 1.00 43.23 H new ATOM 0 HB2 ASP A 142 -6.053 -5.896 -17.626 1.00 52.45 H new ATOM 0 HB3 ASP A 142 -5.354 -4.292 -17.724 1.00 52.45 H new ATOM 2315 N ARG A 143 -4.690 -2.857 -15.102 1.00 21.31 N ATOM 2316 CA ARG A 143 -3.780 -1.839 -14.576 1.00 34.43 C ATOM 2317 C ARG A 143 -3.515 -2.046 -13.079 1.00 42.33 C ATOM 2318 O ARG A 143 -2.402 -1.823 -12.598 1.00 72.32 O ATOM 2319 CB ARG A 143 -4.374 -0.446 -14.809 1.00 42.23 C ATOM 2320 CG ARG A 143 -3.391 0.703 -14.596 1.00 33.34 C ATOM 2321 CD ARG A 143 -4.084 2.055 -14.738 1.00 65.12 C ATOM 2322 NE ARG A 143 -4.917 2.117 -15.941 1.00 42.44 N ATOM 2323 CZ ARG A 143 -6.147 2.566 -15.961 1.00 34.11 C ATOM 2324 NH1 ARG A 143 -6.699 3.036 -14.882 1.00 5.24 N ATOM 2325 NH2 ARG A 143 -6.824 2.548 -17.063 1.00 51.42 N ATOM 0 H ARG A 143 -5.576 -2.483 -15.441 1.00 21.31 H new ATOM 0 HA ARG A 143 -2.830 -1.928 -15.103 1.00 34.43 H new ATOM 0 HB2 ARG A 143 -4.759 -0.394 -15.827 1.00 42.23 H new ATOM 0 HB3 ARG A 143 -5.223 -0.310 -14.140 1.00 42.23 H new ATOM 0 HG2 ARG A 143 -2.943 0.623 -13.605 1.00 33.34 H new ATOM 0 HG3 ARG A 143 -2.579 0.630 -15.320 1.00 33.34 H new ATOM 0 HD2 ARG A 143 -4.701 2.241 -13.859 1.00 65.12 H new ATOM 0 HD3 ARG A 143 -3.334 2.845 -14.774 1.00 65.12 H new ATOM 0 HE ARG A 143 -4.514 1.790 -16.819 1.00 42.44 H new ATOM 0 HH11 ARG A 143 -6.173 3.058 -14.008 1.00 5.24 H new ATOM 0 HH12 ARG A 143 -7.658 3.383 -14.909 1.00 5.24 H new ATOM 0 HH21 ARG A 143 -6.400 2.184 -17.916 1.00 51.42 H new ATOM 0 HH22 ARG A 143 -7.782 2.898 -17.079 1.00 51.42 H new ATOM 2339 N PHE A 144 -4.543 -2.472 -12.344 1.00 24.03 N ATOM 2340 CA PHE A 144 -4.402 -2.726 -10.909 1.00 54.22 C ATOM 2341 C PHE A 144 -3.305 -3.765 -10.633 1.00 0.33 C ATOM 2342 O PHE A 144 -2.432 -3.552 -9.795 1.00 12.45 O ATOM 2343 CB PHE A 144 -5.733 -3.204 -10.305 1.00 61.23 C ATOM 2344 CG PHE A 144 -5.658 -3.457 -8.813 1.00 64.14 C ATOM 2345 CD1 PHE A 144 -5.867 -2.425 -7.909 1.00 61.45 C ATOM 2346 CD2 PHE A 144 -5.358 -4.721 -8.316 1.00 32.11 C ATOM 2347 CE1 PHE A 144 -5.782 -2.645 -6.547 1.00 21.13 C ATOM 2348 CE2 PHE A 144 -5.269 -4.944 -6.955 1.00 65.10 C ATOM 2349 CZ PHE A 144 -5.481 -3.906 -6.069 1.00 50.21 C ATOM 0 H PHE A 144 -5.477 -2.648 -12.715 1.00 24.03 H new ATOM 0 HA PHE A 144 -4.116 -1.786 -10.438 1.00 54.22 H new ATOM 0 HB2 PHE A 144 -6.502 -2.457 -10.502 1.00 61.23 H new ATOM 0 HB3 PHE A 144 -6.043 -4.121 -10.807 1.00 61.23 H new ATOM 0 HD1 PHE A 144 -6.099 -1.436 -8.275 1.00 61.45 H new ATOM 0 HD2 PHE A 144 -5.193 -5.538 -9.002 1.00 32.11 H new ATOM 0 HE1 PHE A 144 -5.951 -1.832 -5.857 1.00 21.13 H new ATOM 0 HE2 PHE A 144 -5.034 -5.931 -6.584 1.00 65.10 H new ATOM 0 HZ PHE A 144 -5.412 -4.079 -5.005 1.00 50.21 H new ATOM 2359 N VAL A 145 -3.350 -4.878 -11.358 1.00 54.05 N ATOM 2360 CA VAL A 145 -2.417 -5.989 -11.137 1.00 51.00 C ATOM 2361 C VAL A 145 -0.959 -5.598 -11.430 1.00 72.12 C ATOM 2362 O VAL A 145 -0.077 -5.785 -10.586 1.00 45.03 O ATOM 2363 CB VAL A 145 -2.802 -7.221 -11.992 1.00 70.50 C ATOM 2364 CG1 VAL A 145 -1.817 -8.373 -11.775 1.00 21.22 C ATOM 2365 CG2 VAL A 145 -4.232 -7.660 -11.675 1.00 21.33 C ATOM 0 H VAL A 145 -4.023 -5.039 -12.107 1.00 54.05 H new ATOM 0 HA VAL A 145 -2.492 -6.244 -10.080 1.00 51.00 H new ATOM 0 HB VAL A 145 -2.752 -6.937 -13.043 1.00 70.50 H new ATOM 0 HG11 VAL A 145 -2.112 -9.225 -12.388 1.00 21.22 H new ATOM 0 HG12 VAL A 145 -0.814 -8.053 -12.058 1.00 21.22 H new ATOM 0 HG13 VAL A 145 -1.822 -8.663 -10.724 1.00 21.22 H new ATOM 0 HG21 VAL A 145 -4.490 -8.527 -12.283 1.00 21.33 H new ATOM 0 HG22 VAL A 145 -4.307 -7.922 -10.620 1.00 21.33 H new ATOM 0 HG23 VAL A 145 -4.920 -6.844 -11.896 1.00 21.33 H new ATOM 2375 N MET A 146 -0.709 -5.045 -12.621 1.00 3.14 N ATOM 2376 CA MET A 146 0.652 -4.652 -13.024 1.00 52.05 C ATOM 2377 C MET A 146 1.297 -3.689 -12.011 1.00 41.45 C ATOM 2378 O MET A 146 2.495 -3.772 -11.741 1.00 53.11 O ATOM 2379 CB MET A 146 0.645 -4.012 -14.422 1.00 25.35 C ATOM 2380 CG MET A 146 -0.270 -2.801 -14.546 1.00 32.42 C ATOM 2381 SD MET A 146 -0.065 -1.922 -16.106 1.00 22.12 S ATOM 2382 CE MET A 146 1.618 -1.326 -15.937 1.00 32.41 C ATOM 0 H MET A 146 -1.425 -4.859 -13.323 1.00 3.14 H new ATOM 0 HA MET A 146 1.251 -5.562 -13.050 1.00 52.05 H new ATOM 0 HB2 MET A 146 1.662 -3.714 -14.679 1.00 25.35 H new ATOM 0 HB3 MET A 146 0.339 -4.762 -15.152 1.00 25.35 H new ATOM 0 HG2 MET A 146 -1.307 -3.124 -14.451 1.00 32.42 H new ATOM 0 HG3 MET A 146 -0.072 -2.117 -13.721 1.00 32.42 H new ATOM 0 HE1 MET A 146 1.758 -0.448 -16.568 1.00 32.41 H new ATOM 0 HE2 MET A 146 1.807 -1.059 -14.897 1.00 32.41 H new ATOM 0 HE3 MET A 146 2.313 -2.108 -16.243 1.00 32.41 H new ATOM 2392 N VAL A 147 0.498 -2.783 -11.449 1.00 1.10 N ATOM 2393 CA VAL A 147 0.998 -1.824 -10.456 1.00 42.31 C ATOM 2394 C VAL A 147 1.104 -2.463 -9.058 1.00 2.24 C ATOM 2395 O VAL A 147 2.108 -2.299 -8.362 1.00 74.40 O ATOM 2396 CB VAL A 147 0.086 -0.572 -10.379 1.00 12.31 C ATOM 2397 CG1 VAL A 147 0.603 0.425 -9.340 1.00 72.11 C ATOM 2398 CG2 VAL A 147 -0.042 0.093 -11.751 1.00 12.12 C ATOM 0 H VAL A 147 -0.495 -2.690 -11.661 1.00 1.10 H new ATOM 0 HA VAL A 147 1.994 -1.522 -10.781 1.00 42.31 H new ATOM 0 HB VAL A 147 -0.905 -0.900 -10.065 1.00 12.31 H new ATOM 0 HG11 VAL A 147 -0.056 1.292 -9.308 1.00 72.11 H new ATOM 0 HG12 VAL A 147 0.625 -0.050 -8.359 1.00 72.11 H new ATOM 0 HG13 VAL A 147 1.609 0.744 -9.611 1.00 72.11 H new ATOM 0 HG21 VAL A 147 -0.686 0.969 -11.672 1.00 12.12 H new ATOM 0 HG22 VAL A 147 0.944 0.398 -12.101 1.00 12.12 H new ATOM 0 HG23 VAL A 147 -0.475 -0.614 -12.459 1.00 12.12 H new ATOM 2408 N ALA A 148 0.073 -3.206 -8.659 1.00 21.32 N ATOM 2409 CA ALA A 148 0.028 -3.832 -7.329 1.00 5.31 C ATOM 2410 C ALA A 148 1.233 -4.754 -7.076 1.00 11.42 C ATOM 2411 O ALA A 148 1.786 -4.780 -5.976 1.00 65.35 O ATOM 2412 CB ALA A 148 -1.272 -4.609 -7.151 1.00 34.14 C ATOM 0 H ALA A 148 -0.747 -3.392 -9.236 1.00 21.32 H new ATOM 0 HA ALA A 148 0.073 -3.027 -6.595 1.00 5.31 H new ATOM 0 HB1 ALA A 148 -1.290 -5.066 -6.162 1.00 34.14 H new ATOM 0 HB2 ALA A 148 -2.119 -3.930 -7.252 1.00 34.14 H new ATOM 0 HB3 ALA A 148 -1.338 -5.387 -7.912 1.00 34.14 H new ATOM 2418 N LYS A 149 1.648 -5.494 -8.102 1.00 34.42 N ATOM 2419 CA LYS A 149 2.731 -6.477 -7.956 1.00 14.42 C ATOM 2420 C LYS A 149 4.113 -5.819 -7.745 1.00 54.42 C ATOM 2421 O LYS A 149 5.061 -6.490 -7.335 1.00 12.52 O ATOM 2422 CB LYS A 149 2.760 -7.424 -9.167 1.00 74.41 C ATOM 2423 CG LYS A 149 3.068 -6.741 -10.496 1.00 41.52 C ATOM 2424 CD LYS A 149 2.859 -7.682 -11.678 1.00 71.40 C ATOM 2425 CE LYS A 149 3.777 -8.898 -11.616 1.00 43.20 C ATOM 2426 NZ LYS A 149 5.209 -8.533 -11.773 1.00 52.04 N ATOM 0 H LYS A 149 1.256 -5.436 -9.042 1.00 34.42 H new ATOM 0 HA LYS A 149 2.519 -7.052 -7.055 1.00 14.42 H new ATOM 0 HB2 LYS A 149 3.506 -8.198 -8.989 1.00 74.41 H new ATOM 0 HB3 LYS A 149 1.794 -7.924 -9.245 1.00 74.41 H new ATOM 0 HG2 LYS A 149 2.429 -5.865 -10.611 1.00 41.52 H new ATOM 0 HG3 LYS A 149 4.098 -6.386 -10.492 1.00 41.52 H new ATOM 0 HD2 LYS A 149 1.821 -8.013 -11.697 1.00 71.40 H new ATOM 0 HD3 LYS A 149 3.038 -7.141 -12.607 1.00 71.40 H new ATOM 0 HE2 LYS A 149 3.637 -9.408 -10.663 1.00 43.20 H new ATOM 0 HE3 LYS A 149 3.496 -9.603 -12.399 1.00 43.20 H new ATOM 0 HZ1 LYS A 149 5.784 -9.398 -11.826 1.00 52.04 H new ATOM 0 HZ2 LYS A 149 5.333 -7.981 -12.646 1.00 52.04 H new ATOM 0 HZ3 LYS A 149 5.514 -7.964 -10.957 1.00 52.04 H new ATOM 2440 N THR A 150 4.238 -4.517 -8.030 1.00 13.21 N ATOM 2441 CA THR A 150 5.493 -3.786 -7.745 1.00 3.43 C ATOM 2442 C THR A 150 5.361 -2.897 -6.497 1.00 51.41 C ATOM 2443 O THR A 150 6.354 -2.368 -5.989 1.00 74.34 O ATOM 2444 CB THR A 150 5.973 -2.918 -8.942 1.00 33.41 C ATOM 2445 OG1 THR A 150 7.174 -2.210 -8.585 1.00 15.11 O ATOM 2446 CG2 THR A 150 4.907 -1.919 -9.384 1.00 44.23 C ATOM 0 H THR A 150 3.502 -3.950 -8.451 1.00 13.21 H new ATOM 0 HA THR A 150 6.242 -4.556 -7.564 1.00 3.43 H new ATOM 0 HB THR A 150 6.171 -3.591 -9.776 1.00 33.41 H new ATOM 0 HG1 THR A 150 7.250 -2.166 -7.609 1.00 15.11 H new ATOM 0 HG21 THR A 150 5.283 -1.333 -10.222 1.00 44.23 H new ATOM 0 HG22 THR A 150 4.010 -2.456 -9.691 1.00 44.23 H new ATOM 0 HG23 THR A 150 4.666 -1.253 -8.555 1.00 44.23 H new ATOM 2454 N VAL A 151 4.133 -2.762 -5.988 1.00 64.01 N ATOM 2455 CA VAL A 151 3.859 -1.959 -4.784 1.00 42.12 C ATOM 2456 C VAL A 151 4.764 -2.328 -3.587 1.00 42.14 C ATOM 2457 O VAL A 151 5.341 -1.437 -2.961 1.00 41.14 O ATOM 2458 CB VAL A 151 2.368 -2.067 -4.358 1.00 42.22 C ATOM 2459 CG1 VAL A 151 2.159 -1.556 -2.932 1.00 54.24 C ATOM 2460 CG2 VAL A 151 1.478 -1.306 -5.339 1.00 43.03 C ATOM 0 H VAL A 151 3.305 -3.200 -6.392 1.00 64.01 H new ATOM 0 HA VAL A 151 4.085 -0.930 -5.063 1.00 42.12 H new ATOM 0 HB VAL A 151 2.088 -3.120 -4.377 1.00 42.22 H new ATOM 0 HG11 VAL A 151 1.106 -1.645 -2.664 1.00 54.24 H new ATOM 0 HG12 VAL A 151 2.760 -2.148 -2.242 1.00 54.24 H new ATOM 0 HG13 VAL A 151 2.461 -0.511 -2.872 1.00 54.24 H new ATOM 0 HG21 VAL A 151 0.437 -1.391 -5.027 1.00 43.03 H new ATOM 0 HG22 VAL A 151 1.768 -0.255 -5.353 1.00 43.03 H new ATOM 0 HG23 VAL A 151 1.593 -1.728 -6.337 1.00 43.03 H new ATOM 2470 N PRO A 152 4.897 -3.630 -3.231 1.00 64.43 N ATOM 2471 CA PRO A 152 5.747 -4.052 -2.101 1.00 53.34 C ATOM 2472 C PRO A 152 7.177 -3.490 -2.187 1.00 12.14 C ATOM 2473 O PRO A 152 7.786 -3.173 -1.167 1.00 41.55 O ATOM 2474 CB PRO A 152 5.753 -5.592 -2.197 1.00 52.43 C ATOM 2475 CG PRO A 152 5.185 -5.911 -3.543 1.00 2.13 C ATOM 2476 CD PRO A 152 4.240 -4.789 -3.863 1.00 44.24 C ATOM 0 HA PRO A 152 5.363 -3.679 -1.151 1.00 53.34 H new ATOM 0 HB2 PRO A 152 6.763 -5.988 -2.094 1.00 52.43 H new ATOM 0 HB3 PRO A 152 5.154 -6.037 -1.403 1.00 52.43 H new ATOM 0 HG2 PRO A 152 5.973 -5.985 -4.293 1.00 2.13 H new ATOM 0 HG3 PRO A 152 4.665 -6.869 -3.531 1.00 2.13 H new ATOM 0 HD2 PRO A 152 4.121 -4.652 -4.938 1.00 44.24 H new ATOM 0 HD3 PRO A 152 3.246 -4.966 -3.453 1.00 44.24 H new ATOM 2484 N ASP A 153 7.693 -3.347 -3.409 1.00 5.35 N ATOM 2485 CA ASP A 153 9.041 -2.810 -3.629 1.00 23.12 C ATOM 2486 C ASP A 153 9.081 -1.285 -3.431 1.00 11.21 C ATOM 2487 O ASP A 153 9.948 -0.762 -2.725 1.00 23.52 O ATOM 2488 CB ASP A 153 9.523 -3.175 -5.036 1.00 74.34 C ATOM 2489 CG ASP A 153 10.877 -2.569 -5.364 1.00 30.55 C ATOM 2490 OD1 ASP A 153 11.903 -3.078 -4.863 1.00 51.20 O ATOM 2491 OD2 ASP A 153 10.920 -1.583 -6.133 1.00 44.45 O ATOM 0 H ASP A 153 7.198 -3.596 -4.265 1.00 5.35 H new ATOM 0 HA ASP A 153 9.707 -3.256 -2.891 1.00 23.12 H new ATOM 0 HB2 ASP A 153 9.583 -4.260 -5.126 1.00 74.34 H new ATOM 0 HB3 ASP A 153 8.790 -2.835 -5.767 1.00 74.34 H new ATOM 2496 N ASP A 154 8.145 -0.574 -4.059 1.00 63.32 N ATOM 2497 CA ASP A 154 8.059 0.883 -3.921 1.00 24.01 C ATOM 2498 C ASP A 154 7.803 1.301 -2.461 1.00 71.01 C ATOM 2499 O ASP A 154 8.338 2.304 -1.986 1.00 2.31 O ATOM 2500 CB ASP A 154 6.964 1.441 -4.835 1.00 1.51 C ATOM 2501 CG ASP A 154 7.309 1.276 -6.306 1.00 1.32 C ATOM 2502 OD1 ASP A 154 8.142 2.055 -6.815 1.00 43.21 O ATOM 2503 OD2 ASP A 154 6.756 0.368 -6.961 1.00 12.13 O ATOM 0 H ASP A 154 7.435 -0.981 -4.668 1.00 63.32 H new ATOM 0 HA ASP A 154 9.020 1.301 -4.221 1.00 24.01 H new ATOM 0 HB2 ASP A 154 6.023 0.933 -4.625 1.00 1.51 H new ATOM 0 HB3 ASP A 154 6.812 2.498 -4.615 1.00 1.51 H new ATOM 2508 N ALA A 155 6.985 0.526 -1.755 1.00 62.43 N ATOM 2509 CA ALA A 155 6.709 0.776 -0.336 1.00 44.31 C ATOM 2510 C ALA A 155 7.918 0.411 0.540 1.00 71.43 C ATOM 2511 O ALA A 155 8.238 1.107 1.504 1.00 71.31 O ATOM 2512 CB ALA A 155 5.477 -0.007 0.105 1.00 11.43 C ATOM 0 H ALA A 155 6.498 -0.284 -2.140 1.00 62.43 H new ATOM 0 HA ALA A 155 6.516 1.841 -0.211 1.00 44.31 H new ATOM 0 HB1 ALA A 155 5.282 0.186 1.160 1.00 11.43 H new ATOM 0 HB2 ALA A 155 4.616 0.305 -0.487 1.00 11.43 H new ATOM 0 HB3 ALA A 155 5.651 -1.073 -0.043 1.00 11.43 H new ATOM 2518 N LYS A 156 8.600 -0.678 0.177 1.00 4.44 N ATOM 2519 CA LYS A 156 9.780 -1.151 0.914 1.00 44.10 C ATOM 2520 C LYS A 156 10.859 -0.058 1.025 1.00 20.12 C ATOM 2521 O LYS A 156 11.723 -0.109 1.900 1.00 53.34 O ATOM 2522 CB LYS A 156 10.347 -2.404 0.228 1.00 32.12 C ATOM 2523 CG LYS A 156 11.445 -3.116 1.013 1.00 62.35 C ATOM 2524 CD LYS A 156 11.806 -4.457 0.375 1.00 2.12 C ATOM 2525 CE LYS A 156 12.910 -5.181 1.139 1.00 74.31 C ATOM 2526 NZ LYS A 156 14.231 -4.510 0.995 1.00 1.53 N ATOM 0 H LYS A 156 8.355 -1.254 -0.628 1.00 4.44 H new ATOM 0 HA LYS A 156 9.471 -1.402 1.929 1.00 44.10 H new ATOM 0 HB2 LYS A 156 9.532 -3.106 0.051 1.00 32.12 H new ATOM 0 HB3 LYS A 156 10.741 -2.121 -0.748 1.00 32.12 H new ATOM 0 HG2 LYS A 156 12.331 -2.483 1.059 1.00 62.35 H new ATOM 0 HG3 LYS A 156 11.115 -3.277 2.039 1.00 62.35 H new ATOM 0 HD2 LYS A 156 10.919 -5.089 0.336 1.00 2.12 H new ATOM 0 HD3 LYS A 156 12.126 -4.293 -0.654 1.00 2.12 H new ATOM 0 HE2 LYS A 156 12.644 -5.232 2.195 1.00 74.31 H new ATOM 0 HE3 LYS A 156 12.985 -6.207 0.779 1.00 74.31 H new ATOM 0 HZ1 LYS A 156 14.958 -5.066 1.489 1.00 1.53 H new ATOM 0 HZ2 LYS A 156 14.476 -4.438 -0.013 1.00 1.53 H new ATOM 0 HZ3 LYS A 156 14.183 -3.557 1.409 1.00 1.53 H new ATOM 2540 N GLN A 157 10.797 0.932 0.133 1.00 14.23 N ATOM 2541 CA GLN A 157 11.695 2.090 0.198 1.00 73.10 C ATOM 2542 C GLN A 157 11.438 2.901 1.480 1.00 20.34 C ATOM 2543 O GLN A 157 12.357 3.179 2.254 1.00 14.14 O ATOM 2544 CB GLN A 157 11.503 2.989 -1.037 1.00 61.20 C ATOM 2545 CG GLN A 157 11.554 2.240 -2.364 1.00 12.42 C ATOM 2546 CD GLN A 157 12.868 1.512 -2.590 1.00 60.00 C ATOM 2547 OE1 GLN A 157 13.921 1.940 -2.132 1.00 51.04 O ATOM 2548 NE2 GLN A 157 12.809 0.401 -3.289 1.00 73.24 N ATOM 0 H GLN A 157 10.135 0.957 -0.643 1.00 14.23 H new ATOM 0 HA GLN A 157 12.722 1.725 0.213 1.00 73.10 H new ATOM 0 HB2 GLN A 157 10.543 3.499 -0.956 1.00 61.20 H new ATOM 0 HB3 GLN A 157 12.274 3.759 -1.036 1.00 61.20 H new ATOM 0 HG2 GLN A 157 10.736 1.520 -2.399 1.00 12.42 H new ATOM 0 HG3 GLN A 157 11.392 2.946 -3.179 1.00 12.42 H new ATOM 0 HE21 GLN A 157 11.914 0.075 -3.655 1.00 73.24 H new ATOM 0 HE22 GLN A 157 13.658 -0.136 -3.466 1.00 73.24 H new ATOM 2557 N LEU A 158 10.171 3.253 1.709 1.00 61.25 N ATOM 2558 CA LEU A 158 9.773 4.002 2.907 1.00 73.21 C ATOM 2559 C LEU A 158 10.000 3.168 4.173 1.00 25.32 C ATOM 2560 O LEU A 158 10.475 3.679 5.193 1.00 44.24 O ATOM 2561 CB LEU A 158 8.294 4.426 2.826 1.00 4.12 C ATOM 2562 CG LEU A 158 7.963 5.529 1.807 1.00 14.45 C ATOM 2563 CD1 LEU A 158 8.803 6.773 2.078 1.00 54.11 C ATOM 2564 CD2 LEU A 158 8.161 5.033 0.376 1.00 73.34 C ATOM 0 H LEU A 158 9.400 3.031 1.080 1.00 61.25 H new ATOM 0 HA LEU A 158 10.394 4.897 2.956 1.00 73.21 H new ATOM 0 HB2 LEU A 158 7.697 3.546 2.586 1.00 4.12 H new ATOM 0 HB3 LEU A 158 7.979 4.765 3.813 1.00 4.12 H new ATOM 0 HG LEU A 158 6.912 5.795 1.920 1.00 14.45 H new ATOM 0 HD11 LEU A 158 8.557 7.544 1.348 1.00 54.11 H new ATOM 0 HD12 LEU A 158 8.593 7.143 3.082 1.00 54.11 H new ATOM 0 HD13 LEU A 158 9.861 6.522 1.998 1.00 54.11 H new ATOM 0 HD21 LEU A 158 7.920 5.834 -0.323 1.00 73.34 H new ATOM 0 HD22 LEU A 158 9.199 4.730 0.236 1.00 73.34 H new ATOM 0 HD23 LEU A 158 7.506 4.181 0.192 1.00 73.34 H new ATOM 2576 N THR A 159 9.656 1.883 4.090 1.00 44.31 N ATOM 2577 CA THR A 159 9.854 0.942 5.199 1.00 43.00 C ATOM 2578 C THR A 159 11.313 0.938 5.683 1.00 2.11 C ATOM 2579 O THR A 159 11.590 0.709 6.857 1.00 12.53 O ATOM 2580 CB THR A 159 9.441 -0.499 4.799 1.00 44.13 C ATOM 2581 OG1 THR A 159 8.110 -0.497 4.257 1.00 21.24 O ATOM 2582 CG2 THR A 159 9.498 -1.444 5.995 1.00 35.33 C ATOM 0 H THR A 159 9.235 1.465 3.260 1.00 44.31 H new ATOM 0 HA THR A 159 9.214 1.281 6.014 1.00 43.00 H new ATOM 0 HB THR A 159 10.146 -0.851 4.046 1.00 44.13 H new ATOM 0 HG1 THR A 159 7.958 -1.328 3.760 1.00 21.24 H new ATOM 0 HG21 THR A 159 9.203 -2.445 5.682 1.00 35.33 H new ATOM 0 HG22 THR A 159 10.514 -1.471 6.389 1.00 35.33 H new ATOM 0 HG23 THR A 159 8.818 -1.091 6.770 1.00 35.33 H new ATOM 2590 N THR A 160 12.247 1.194 4.770 1.00 74.22 N ATOM 2591 CA THR A 160 13.668 1.293 5.128 1.00 25.42 C ATOM 2592 C THR A 160 14.033 2.709 5.606 1.00 12.20 C ATOM 2593 O THR A 160 14.622 2.880 6.676 1.00 71.11 O ATOM 2594 CB THR A 160 14.584 0.915 3.937 1.00 61.53 C ATOM 2595 OG1 THR A 160 14.256 -0.400 3.459 1.00 0.32 O ATOM 2596 CG2 THR A 160 16.057 0.953 4.342 1.00 15.31 C ATOM 0 H THR A 160 12.051 1.337 3.779 1.00 74.22 H new ATOM 0 HA THR A 160 13.829 0.586 5.942 1.00 25.42 H new ATOM 0 HB THR A 160 14.421 1.645 3.145 1.00 61.53 H new ATOM 0 HG1 THR A 160 13.426 -0.361 2.939 1.00 0.32 H new ATOM 0 HG21 THR A 160 16.677 0.683 3.487 1.00 15.31 H new ATOM 0 HG22 THR A 160 16.317 1.958 4.676 1.00 15.31 H new ATOM 0 HG23 THR A 160 16.230 0.245 5.153 1.00 15.31 H new ATOM 2604 N THR A 161 13.677 3.719 4.807 1.00 73.14 N ATOM 2605 CA THR A 161 13.994 5.127 5.116 1.00 32.24 C ATOM 2606 C THR A 161 13.535 5.538 6.527 1.00 33.12 C ATOM 2607 O THR A 161 14.325 6.056 7.328 1.00 42.31 O ATOM 2608 CB THR A 161 13.352 6.083 4.077 1.00 63.22 C ATOM 2609 OG1 THR A 161 13.874 5.804 2.769 1.00 14.42 O ATOM 2610 CG2 THR A 161 13.607 7.549 4.426 1.00 61.45 C ATOM 0 H THR A 161 13.165 3.592 3.934 1.00 73.14 H new ATOM 0 HA THR A 161 15.080 5.210 5.072 1.00 32.24 H new ATOM 0 HB THR A 161 12.275 5.914 4.092 1.00 63.22 H new ATOM 0 HG1 THR A 161 13.499 4.960 2.440 1.00 14.42 H new ATOM 0 HG21 THR A 161 13.142 8.188 3.675 1.00 61.45 H new ATOM 0 HG22 THR A 161 13.181 7.770 5.405 1.00 61.45 H new ATOM 0 HG23 THR A 161 14.681 7.737 4.447 1.00 61.45 H new ATOM 2618 N ILE A 162 12.261 5.302 6.832 1.00 13.21 N ATOM 2619 CA ILE A 162 11.699 5.655 8.140 1.00 42.12 C ATOM 2620 C ILE A 162 12.418 4.916 9.280 1.00 50.33 C ATOM 2621 O ILE A 162 12.801 5.522 10.278 1.00 24.15 O ATOM 2622 CB ILE A 162 10.178 5.351 8.192 1.00 54.51 C ATOM 2623 CG1 ILE A 162 9.436 6.204 7.149 1.00 51.44 C ATOM 2624 CG2 ILE A 162 9.613 5.594 9.594 1.00 70.24 C ATOM 2625 CD1 ILE A 162 7.939 5.978 7.118 1.00 53.22 C ATOM 0 H ILE A 162 11.595 4.868 6.193 1.00 13.21 H new ATOM 0 HA ILE A 162 11.850 6.726 8.276 1.00 42.12 H new ATOM 0 HB ILE A 162 10.029 4.297 7.955 1.00 54.51 H new ATOM 0 HG12 ILE A 162 9.630 7.257 7.352 1.00 51.44 H new ATOM 0 HG13 ILE A 162 9.846 5.989 6.162 1.00 51.44 H new ATOM 0 HG21 ILE A 162 8.546 5.373 9.600 1.00 70.24 H new ATOM 0 HG22 ILE A 162 10.122 4.947 10.308 1.00 70.24 H new ATOM 0 HG23 ILE A 162 9.769 6.636 9.874 1.00 70.24 H new ATOM 0 HD11 ILE A 162 7.490 6.616 6.357 1.00 53.22 H new ATOM 0 HD12 ILE A 162 7.733 4.934 6.883 1.00 53.22 H new ATOM 0 HD13 ILE A 162 7.514 6.221 8.092 1.00 53.22 H new ATOM 2637 N ASN A 163 12.616 3.613 9.110 1.00 54.45 N ATOM 2638 CA ASN A 163 13.291 2.783 10.116 1.00 55.51 C ATOM 2639 C ASN A 163 14.719 3.271 10.429 1.00 51.41 C ATOM 2640 O ASN A 163 15.079 3.449 11.595 1.00 43.03 O ATOM 2641 CB ASN A 163 13.309 1.324 9.649 1.00 2.24 C ATOM 2642 CG ASN A 163 11.935 0.686 9.743 1.00 25.23 C ATOM 2643 OD1 ASN A 163 10.919 1.358 9.647 1.00 13.10 O ATOM 2644 ND2 ASN A 163 11.889 -0.615 9.930 1.00 10.40 N ATOM 0 H ASN A 163 12.318 3.101 8.280 1.00 54.45 H new ATOM 0 HA ASN A 163 12.726 2.866 11.044 1.00 55.51 H new ATOM 0 HB2 ASN A 163 13.662 1.276 8.619 1.00 2.24 H new ATOM 0 HB3 ASN A 163 14.016 0.757 10.255 1.00 2.24 H new ATOM 0 HD21 ASN A 163 10.988 -1.089 9.999 1.00 10.40 H new ATOM 0 HD22 ASN A 163 12.754 -1.150 10.006 1.00 10.40 H new ATOM 2651 N THR A 164 15.532 3.493 9.394 1.00 23.21 N ATOM 2652 CA THR A 164 16.922 3.938 9.595 1.00 23.41 C ATOM 2653 C THR A 164 16.994 5.363 10.178 1.00 65.40 C ATOM 2654 O THR A 164 17.973 5.727 10.831 1.00 33.12 O ATOM 2655 CB THR A 164 17.754 3.864 8.283 1.00 51.35 C ATOM 2656 OG1 THR A 164 19.120 4.226 8.538 1.00 34.54 O ATOM 2657 CG2 THR A 164 17.182 4.775 7.203 1.00 73.41 C ATOM 0 H THR A 164 15.261 3.375 8.418 1.00 23.21 H new ATOM 0 HA THR A 164 17.357 3.247 10.318 1.00 23.41 H new ATOM 0 HB THR A 164 17.707 2.836 7.925 1.00 51.35 H new ATOM 0 HG1 THR A 164 19.633 4.174 7.705 1.00 34.54 H new ATOM 0 HG21 THR A 164 17.790 4.696 6.301 1.00 73.41 H new ATOM 0 HG22 THR A 164 16.159 4.475 6.978 1.00 73.41 H new ATOM 0 HG23 THR A 164 17.188 5.806 7.556 1.00 73.41 H new ATOM 2665 N ASN A 165 15.949 6.166 9.953 1.00 50.32 N ATOM 2666 CA ASN A 165 15.880 7.528 10.512 1.00 33.13 C ATOM 2667 C ASN A 165 14.896 7.621 11.697 1.00 20.03 C ATOM 2668 O ASN A 165 14.617 8.713 12.193 1.00 54.00 O ATOM 2669 CB ASN A 165 15.480 8.533 9.423 1.00 64.53 C ATOM 2670 CG ASN A 165 16.581 8.749 8.400 1.00 30.32 C ATOM 2671 OD1 ASN A 165 17.428 9.621 8.556 1.00 24.24 O ATOM 2672 ND2 ASN A 165 16.578 7.958 7.348 1.00 14.44 N ATOM 0 H ASN A 165 15.140 5.902 9.390 1.00 50.32 H new ATOM 0 HA ASN A 165 16.874 7.772 10.887 1.00 33.13 H new ATOM 0 HB2 ASN A 165 14.582 8.178 8.917 1.00 64.53 H new ATOM 0 HB3 ASN A 165 15.228 9.486 9.888 1.00 64.53 H new ATOM 0 HD21 ASN A 165 17.296 8.061 6.631 1.00 14.44 H new ATOM 0 HD22 ASN A 165 15.858 7.242 7.250 1.00 14.44 H new ATOM 2679 N ALA A 166 14.396 6.476 12.162 1.00 13.21 N ATOM 2680 CA ALA A 166 13.398 6.438 13.244 1.00 24.21 C ATOM 2681 C ALA A 166 13.898 7.136 14.517 1.00 21.23 C ATOM 2682 O ALA A 166 13.154 7.865 15.170 1.00 10.24 O ATOM 2683 CB ALA A 166 13.012 4.996 13.550 1.00 14.53 C ATOM 0 H ALA A 166 14.663 5.557 11.809 1.00 13.21 H new ATOM 0 HA ALA A 166 12.520 6.983 12.899 1.00 24.21 H new ATOM 0 HB1 ALA A 166 12.274 4.979 14.352 1.00 14.53 H new ATOM 0 HB2 ALA A 166 12.589 4.535 12.657 1.00 14.53 H new ATOM 0 HB3 ALA A 166 13.897 4.440 13.860 1.00 14.53 H new ATOM 2689 N GLU A 167 15.166 6.905 14.855 1.00 23.31 N ATOM 2690 CA GLU A 167 15.799 7.525 16.031 1.00 25.21 C ATOM 2691 C GLU A 167 15.829 9.062 15.936 1.00 74.41 C ATOM 2692 O GLU A 167 15.981 9.751 16.945 1.00 11.12 O ATOM 2693 CB GLU A 167 17.226 6.983 16.196 1.00 65.14 C ATOM 2694 CG GLU A 167 18.097 7.168 14.958 1.00 2.20 C ATOM 2695 CD GLU A 167 19.501 6.622 15.142 1.00 31.32 C ATOM 2696 OE1 GLU A 167 20.373 7.360 15.643 1.00 2.23 O ATOM 2697 OE2 GLU A 167 19.741 5.448 14.786 1.00 32.34 O ATOM 0 H GLU A 167 15.785 6.288 14.329 1.00 23.31 H new ATOM 0 HA GLU A 167 15.198 7.266 16.903 1.00 25.21 H new ATOM 0 HB2 GLU A 167 17.700 7.482 17.041 1.00 65.14 H new ATOM 0 HB3 GLU A 167 17.177 5.922 16.440 1.00 65.14 H new ATOM 0 HG2 GLU A 167 17.626 6.670 14.110 1.00 2.20 H new ATOM 0 HG3 GLU A 167 18.153 8.229 14.714 1.00 2.20 H new ATOM 2704 N ALA A 168 15.706 9.588 14.718 1.00 22.34 N ATOM 2705 CA ALA A 168 15.648 11.039 14.501 1.00 42.31 C ATOM 2706 C ALA A 168 14.194 11.536 14.478 1.00 23.15 C ATOM 2707 O ALA A 168 13.882 12.610 14.992 1.00 2.43 O ATOM 2708 CB ALA A 168 16.355 11.405 13.200 1.00 51.10 C ATOM 0 H ALA A 168 15.644 9.034 13.864 1.00 22.34 H new ATOM 0 HA ALA A 168 16.158 11.528 15.331 1.00 42.31 H new ATOM 0 HB1 ALA A 168 16.305 12.483 13.050 1.00 51.10 H new ATOM 0 HB2 ALA A 168 17.398 11.094 13.253 1.00 51.10 H new ATOM 0 HB3 ALA A 168 15.867 10.900 12.366 1.00 51.10 H new ATOM 2714 N LEU A 169 13.316 10.740 13.866 1.00 5.04 N ATOM 2715 CA LEU A 169 11.883 11.057 13.792 1.00 45.20 C ATOM 2716 C LEU A 169 11.246 11.077 15.193 1.00 52.40 C ATOM 2717 O LEU A 169 10.614 12.058 15.596 1.00 73.32 O ATOM 2718 CB LEU A 169 11.162 10.018 12.914 1.00 55.11 C ATOM 2719 CG LEU A 169 11.673 9.907 11.467 1.00 13.32 C ATOM 2720 CD1 LEU A 169 11.034 8.716 10.757 1.00 13.23 C ATOM 2721 CD2 LEU A 169 11.398 11.196 10.698 1.00 5.10 C ATOM 0 H LEU A 169 13.572 9.864 13.410 1.00 5.04 H new ATOM 0 HA LEU A 169 11.778 12.048 13.351 1.00 45.20 H new ATOM 0 HB2 LEU A 169 11.252 9.041 13.389 1.00 55.11 H new ATOM 0 HB3 LEU A 169 10.100 10.263 12.888 1.00 55.11 H new ATOM 0 HG LEU A 169 12.751 9.749 11.500 1.00 13.32 H new ATOM 0 HD11 LEU A 169 11.410 8.657 9.736 1.00 13.23 H new ATOM 0 HD12 LEU A 169 11.284 7.798 11.289 1.00 13.23 H new ATOM 0 HD13 LEU A 169 9.951 8.841 10.739 1.00 13.23 H new ATOM 0 HD21 LEU A 169 11.767 11.096 9.677 1.00 5.10 H new ATOM 0 HD22 LEU A 169 10.325 11.386 10.679 1.00 5.10 H new ATOM 0 HD23 LEU A 169 11.905 12.027 11.188 1.00 5.10 H new ATOM 2733 N PHE A 170 11.425 9.984 15.928 1.00 53.25 N ATOM 2734 CA PHE A 170 10.844 9.833 17.266 1.00 11.14 C ATOM 2735 C PHE A 170 11.920 9.982 18.351 1.00 2.14 C ATOM 2736 O PHE A 170 13.103 10.129 18.047 1.00 12.44 O ATOM 2737 CB PHE A 170 10.164 8.463 17.384 1.00 13.10 C ATOM 2738 CG PHE A 170 9.244 8.156 16.231 1.00 4.40 C ATOM 2739 CD1 PHE A 170 7.988 8.739 16.156 1.00 45.05 C ATOM 2740 CD2 PHE A 170 9.641 7.295 15.218 1.00 45.21 C ATOM 2741 CE1 PHE A 170 7.149 8.471 15.094 1.00 12.03 C ATOM 2742 CE2 PHE A 170 8.804 7.023 14.152 1.00 10.53 C ATOM 2743 CZ PHE A 170 7.557 7.611 14.090 1.00 75.51 C ATOM 0 H PHE A 170 11.972 9.181 15.619 1.00 53.25 H new ATOM 0 HA PHE A 170 10.103 10.619 17.412 1.00 11.14 H new ATOM 0 HB2 PHE A 170 10.929 7.689 17.446 1.00 13.10 H new ATOM 0 HB3 PHE A 170 9.596 8.425 18.314 1.00 13.10 H new ATOM 0 HD1 PHE A 170 7.663 9.410 16.937 1.00 45.05 H new ATOM 0 HD2 PHE A 170 10.616 6.832 15.263 1.00 45.21 H new ATOM 0 HE1 PHE A 170 6.174 8.933 15.046 1.00 12.03 H new ATOM 0 HE2 PHE A 170 9.125 6.352 13.369 1.00 10.53 H new ATOM 0 HZ PHE A 170 6.900 7.400 13.259 1.00 75.51 H new ATOM 2753 N ARG A 171 11.513 9.929 19.616 1.00 72.42 N ATOM 2754 CA ARG A 171 12.457 10.109 20.721 1.00 35.13 C ATOM 2755 C ARG A 171 12.105 9.191 21.907 1.00 40.30 C ATOM 2756 O ARG A 171 10.976 9.205 22.397 1.00 53.50 O ATOM 2757 CB ARG A 171 12.461 11.584 21.159 1.00 20.12 C ATOM 2758 CG ARG A 171 13.807 12.076 21.686 1.00 54.12 C ATOM 2759 CD ARG A 171 14.908 11.958 20.628 1.00 24.51 C ATOM 2760 NE ARG A 171 14.533 12.591 19.358 1.00 44.45 N ATOM 2761 CZ ARG A 171 15.382 13.016 18.464 1.00 13.22 C ATOM 2762 NH1 ARG A 171 16.658 12.919 18.657 1.00 3.34 N ATOM 2763 NH2 ARG A 171 14.949 13.536 17.364 1.00 44.24 N ATOM 0 H ARG A 171 10.548 9.765 19.902 1.00 72.42 H new ATOM 0 HA ARG A 171 13.454 9.834 20.377 1.00 35.13 H new ATOM 0 HB2 ARG A 171 12.166 12.204 20.312 1.00 20.12 H new ATOM 0 HB3 ARG A 171 11.707 11.724 21.934 1.00 20.12 H new ATOM 0 HG2 ARG A 171 13.716 13.115 22.002 1.00 54.12 H new ATOM 0 HG3 ARG A 171 14.086 11.498 22.567 1.00 54.12 H new ATOM 0 HD2 ARG A 171 15.821 12.419 21.005 1.00 24.51 H new ATOM 0 HD3 ARG A 171 15.130 10.905 20.454 1.00 24.51 H new ATOM 0 HE ARG A 171 13.539 12.707 19.161 1.00 44.45 H new ATOM 0 HH11 ARG A 171 17.013 12.505 19.519 1.00 3.34 H new ATOM 0 HH12 ARG A 171 17.308 13.256 17.947 1.00 3.34 H new ATOM 0 HH21 ARG A 171 13.946 13.613 17.197 1.00 44.24 H new ATOM 0 HH22 ARG A 171 15.610 13.869 16.663 1.00 44.24 H new