USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 52 GLN : amide:sc= -0.366 K(o=1.7,f=0.68) USER MOD Set 1.2: A 96 GLN : amide:sc= 1.01 X(o=1.7,f=1.2) USER MOD Set 1.3: A 106 SER OG : rot 101:sc= 1.01 USER MOD Set 2.1: A 90 GLN : amide:sc= -0.324 X(o=-2.5,f=-2.4) USER MOD Set 2.2: A 111 ASN : amide:sc= -2.19 K(o=-2.5,f=-4.6!) USER MOD Set 3.1: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 91 TYR OH : rot 60:sc= 0.84 USER MOD Set 4.1: A 30 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Set 4.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 154:sc= -1.49 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 70:sc= -1.25 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.065 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.54 K(o=0.54,f=0) USER MOD Single : A 45 ASN : amide:sc= 1.17 K(o=1.2,f=-1.7!) USER MOD Single : A 51 TYR OH : rot 90:sc= -2.14 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.136 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -149:sc= -1.66 (180deg=-2.81!) USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= -2.66! (180deg=-5.33!) USER MOD Single : A 74 THR OG1 : rot -87:sc= 1.08 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -173:sc= -0.212 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc=-0.00757 X(o=-0.0076,f=-0.027) USER MOD Single : A 99 ASN : amide:sc= -4.36 K(o=-4.4,f=-15!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 51:sc= -4.31! USER MOD Single : A 108 SER OG : rot 81:sc= 0.101 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -159:sc= 1.71 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 12.035 11.970 -3.312 1.00 0.00 N ATOM 151 CA ALA A 14 10.861 11.116 -3.358 1.00 0.00 C ATOM 152 C ALA A 14 11.003 10.122 -4.513 1.00 0.00 C ATOM 153 O ALA A 14 11.744 10.371 -5.463 1.00 0.00 O ATOM 154 CB ALA A 14 9.605 11.981 -3.486 1.00 0.00 C ATOM 0 HA ALA A 14 10.769 10.541 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.724 11.340 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.534 12.649 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.661 12.571 -4.401 1.00 0.00 H new ATOM 160 N PRO A 15 10.263 8.988 -4.390 1.00 0.00 N ATOM 161 CA PRO A 15 10.300 7.955 -5.411 1.00 0.00 C ATOM 162 C PRO A 15 9.507 8.380 -6.649 1.00 0.00 C ATOM 163 O PRO A 15 8.481 9.049 -6.534 1.00 0.00 O ATOM 164 CB PRO A 15 9.732 6.716 -4.739 1.00 0.00 C ATOM 165 CG PRO A 15 8.972 7.214 -3.521 1.00 0.00 C ATOM 166 CD PRO A 15 9.374 8.660 -3.279 1.00 0.00 C ATOM 0 HA PRO A 15 11.308 7.765 -5.780 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.072 6.172 -5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.527 6.029 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.897 7.139 -3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.205 6.602 -2.649 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.503 9.316 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.879 8.775 -2.320 1.00 0.00 H new ATOM 174 N ASP A 16 10.013 7.974 -7.805 1.00 0.00 N ATOM 175 CA ASP A 16 9.365 8.304 -9.062 1.00 0.00 C ATOM 176 C ASP A 16 8.864 7.020 -9.726 1.00 0.00 C ATOM 177 O ASP A 16 8.932 6.880 -10.946 1.00 0.00 O ATOM 178 CB ASP A 16 10.342 8.983 -10.024 1.00 0.00 C ATOM 179 CG ASP A 16 10.493 10.494 -9.832 1.00 0.00 C ATOM 180 OD1 ASP A 16 9.976 10.991 -8.809 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.123 11.117 -10.714 1.00 0.00 O ATOM 0 H ASP A 16 10.864 7.420 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 16 8.540 8.983 -8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.321 8.518 -9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.014 8.793 -11.046 1.00 0.00 H new ATOM 186 N GLY A 17 8.374 6.114 -8.893 1.00 0.00 N ATOM 187 CA GLY A 17 7.862 4.845 -9.383 1.00 0.00 C ATOM 188 C GLY A 17 7.220 4.039 -8.253 1.00 0.00 C ATOM 189 O GLY A 17 7.733 4.011 -7.136 1.00 0.00 O ATOM 0 H GLY A 17 8.321 6.233 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.128 5.024 -10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.673 4.270 -9.829 1.00 0.00 H new ATOM 193 N PRO A 18 6.076 3.386 -8.591 1.00 0.00 N ATOM 194 CA PRO A 18 5.357 2.581 -7.617 1.00 0.00 C ATOM 195 C PRO A 18 6.079 1.257 -7.361 1.00 0.00 C ATOM 196 O PRO A 18 7.062 0.942 -8.030 1.00 0.00 O ATOM 197 CB PRO A 18 3.969 2.397 -8.207 1.00 0.00 C ATOM 198 CG PRO A 18 4.101 2.706 -9.689 1.00 0.00 C ATOM 199 CD PRO A 18 5.438 3.396 -9.904 1.00 0.00 C ATOM 0 HA PRO A 18 5.299 3.057 -6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.610 1.380 -8.051 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.251 3.065 -7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.046 1.789 -10.276 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.283 3.346 -10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.042 2.868 -10.642 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.304 4.413 -10.271 1.00 0.00 H new ATOM 207 N PRO A 19 5.549 0.496 -6.366 1.00 0.00 N ATOM 208 CA PRO A 19 6.132 -0.787 -6.014 1.00 0.00 C ATOM 209 C PRO A 19 5.787 -1.851 -7.058 1.00 0.00 C ATOM 210 O PRO A 19 4.945 -1.625 -7.926 1.00 0.00 O ATOM 211 CB PRO A 19 5.577 -1.106 -4.635 1.00 0.00 C ATOM 212 CG PRO A 19 4.351 -0.224 -4.465 1.00 0.00 C ATOM 213 CD PRO A 19 4.385 0.837 -5.553 1.00 0.00 C ATOM 0 HA PRO A 19 7.222 -0.763 -5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.314 -2.161 -4.554 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.316 -0.902 -3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.440 -0.818 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.349 0.240 -3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.471 0.826 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.477 1.837 -5.129 1.00 0.00 H new ATOM 221 N MET A 20 6.455 -2.989 -6.939 1.00 0.00 N ATOM 222 CA MET A 20 6.229 -4.089 -7.862 1.00 0.00 C ATOM 223 C MET A 20 5.492 -5.240 -7.173 1.00 0.00 C ATOM 224 O MET A 20 5.283 -5.211 -5.962 1.00 0.00 O ATOM 225 CB MET A 20 7.572 -4.590 -8.397 1.00 0.00 C ATOM 226 CG MET A 20 8.457 -3.422 -8.838 1.00 0.00 C ATOM 227 SD MET A 20 9.374 -3.871 -10.302 1.00 0.00 S ATOM 228 CE MET A 20 8.191 -3.417 -11.560 1.00 0.00 C ATOM 0 H MET A 20 7.153 -3.173 -6.218 1.00 0.00 H new ATOM 0 HA MET A 20 5.612 -3.728 -8.685 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.082 -5.167 -7.626 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.404 -5.262 -9.239 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.842 -2.545 -9.039 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.145 -3.153 -8.036 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.606 -3.633 -12.545 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.273 -3.988 -11.420 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.971 -2.352 -11.485 1.00 0.00 H new ATOM 238 N ASP A 21 5.119 -6.225 -7.977 1.00 0.00 N ATOM 239 CA ASP A 21 4.409 -7.384 -7.460 1.00 0.00 C ATOM 240 C ASP A 21 3.233 -6.915 -6.601 1.00 0.00 C ATOM 241 O ASP A 21 2.963 -7.487 -5.547 1.00 0.00 O ATOM 242 CB ASP A 21 5.322 -8.242 -6.583 1.00 0.00 C ATOM 243 CG ASP A 21 4.692 -9.537 -6.066 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.300 -10.359 -6.922 1.00 0.00 O ATOM 245 OD2 ASP A 21 4.615 -9.675 -4.826 1.00 0.00 O ATOM 0 H ASP A 21 5.295 -6.245 -8.982 1.00 0.00 H new ATOM 0 HA ASP A 21 4.064 -7.975 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.217 -8.493 -7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.645 -7.647 -5.729 1.00 0.00 H new ATOM 250 N VAL A 22 2.565 -5.878 -7.085 1.00 0.00 N ATOM 251 CA VAL A 22 1.424 -5.326 -6.375 1.00 0.00 C ATOM 252 C VAL A 22 0.185 -6.175 -6.670 1.00 0.00 C ATOM 253 O VAL A 22 -0.369 -6.111 -7.766 1.00 0.00 O ATOM 254 CB VAL A 22 1.240 -3.853 -6.745 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.133 -3.211 -5.907 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.554 -3.083 -6.600 1.00 0.00 C ATOM 0 H VAL A 22 2.792 -5.406 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 22 1.592 -5.359 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 22 0.938 -3.806 -7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.023 -2.164 -6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.807 -3.735 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.393 -3.276 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.395 -2.039 -6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.899 -3.143 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.305 -3.518 -7.260 1.00 0.00 H new ATOM 266 N THR A 23 -0.212 -6.951 -5.672 1.00 0.00 N ATOM 267 CA THR A 23 -1.374 -7.812 -5.810 1.00 0.00 C ATOM 268 C THR A 23 -2.046 -8.024 -4.452 1.00 0.00 C ATOM 269 O THR A 23 -1.399 -7.914 -3.412 1.00 0.00 O ATOM 270 CB THR A 23 -0.922 -9.114 -6.474 1.00 0.00 C ATOM 271 OG1 THR A 23 -2.090 -9.591 -7.136 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.597 -10.208 -5.456 1.00 0.00 C ATOM 0 H THR A 23 0.251 -7.001 -4.764 1.00 0.00 H new ATOM 0 HA THR A 23 -2.132 -7.353 -6.444 1.00 0.00 H new ATOM 0 HB THR A 23 -0.045 -8.921 -7.091 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.885 -10.432 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.282 -11.110 -5.980 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.206 -9.869 -4.801 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.483 -10.426 -4.860 1.00 0.00 H new ATOM 280 N LEU A 24 -3.335 -8.324 -4.506 1.00 0.00 N ATOM 281 CA LEU A 24 -4.101 -8.552 -3.292 1.00 0.00 C ATOM 282 C LEU A 24 -4.370 -10.050 -3.138 1.00 0.00 C ATOM 283 O LEU A 24 -4.190 -10.817 -4.083 1.00 0.00 O ATOM 284 CB LEU A 24 -5.370 -7.696 -3.291 1.00 0.00 C ATOM 285 CG LEU A 24 -5.161 -6.187 -3.433 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.499 -5.460 -3.585 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.338 -5.635 -2.268 1.00 0.00 C ATOM 0 H LEU A 24 -3.868 -8.415 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.531 -8.238 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.012 -8.032 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.909 -7.882 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.591 -6.006 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.322 -4.389 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.013 -5.827 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.116 -5.646 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.204 -4.561 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.859 -5.828 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.363 -6.122 -2.248 1.00 0.00 H new ATOM 299 N GLN A 25 -4.797 -10.422 -1.940 1.00 0.00 N ATOM 300 CA GLN A 25 -5.092 -11.815 -1.651 1.00 0.00 C ATOM 301 C GLN A 25 -5.913 -11.927 -0.365 1.00 0.00 C ATOM 302 O GLN A 25 -5.453 -11.533 0.706 1.00 0.00 O ATOM 303 CB GLN A 25 -3.807 -12.640 -1.554 1.00 0.00 C ATOM 304 CG GLN A 25 -4.065 -14.102 -1.923 1.00 0.00 C ATOM 305 CD GLN A 25 -2.904 -14.675 -2.738 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.965 -14.801 -3.950 1.00 0.00 O ATOM 307 NE2 GLN A 25 -1.845 -15.013 -2.008 1.00 0.00 N ATOM 0 H GLN A 25 -4.946 -9.783 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.682 -12.219 -2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.051 -12.222 -2.218 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.409 -12.582 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.203 -14.691 -1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.989 -14.179 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.860 -14.881 -0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.018 -15.404 -2.459 1.00 0.00 H new ATOM 316 N PRO A 26 -7.147 -12.480 -0.516 1.00 0.00 N ATOM 317 CA PRO A 26 -8.036 -12.649 0.620 1.00 0.00 C ATOM 318 C PRO A 26 -7.584 -13.814 1.502 1.00 0.00 C ATOM 319 O PRO A 26 -7.607 -14.967 1.073 1.00 0.00 O ATOM 320 CB PRO A 26 -9.413 -12.862 0.013 1.00 0.00 C ATOM 321 CG PRO A 26 -9.174 -13.268 -1.432 1.00 0.00 C ATOM 322 CD PRO A 26 -7.725 -12.957 -1.769 1.00 0.00 C ATOM 0 HA PRO A 26 -8.038 -11.785 1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.961 -13.636 0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.010 -11.951 0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.379 -14.330 -1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.846 -12.725 -2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.204 -13.843 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.654 -12.201 -2.551 1.00 0.00 H new ATOM 330 N VAL A 27 -7.183 -13.474 2.718 1.00 0.00 N ATOM 331 CA VAL A 27 -6.727 -14.478 3.664 1.00 0.00 C ATOM 332 C VAL A 27 -7.900 -14.914 4.544 1.00 0.00 C ATOM 333 O VAL A 27 -8.021 -16.090 4.885 1.00 0.00 O ATOM 334 CB VAL A 27 -5.543 -13.938 4.470 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.267 -13.922 3.626 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.849 -12.546 5.028 1.00 0.00 C ATOM 0 H VAL A 27 -7.164 -12.517 3.070 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.369 -15.363 3.138 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.378 -14.608 5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.441 -13.534 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.034 -14.936 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.415 -13.285 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.992 -12.185 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.053 -11.861 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.721 -12.599 5.680 1.00 0.00 H new ATOM 346 N THR A 28 -8.734 -13.944 4.886 1.00 0.00 N ATOM 347 CA THR A 28 -9.894 -14.213 5.720 1.00 0.00 C ATOM 348 C THR A 28 -11.167 -13.702 5.043 1.00 0.00 C ATOM 349 O THR A 28 -11.290 -13.756 3.821 1.00 0.00 O ATOM 350 CB THR A 28 -9.643 -13.589 7.094 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.747 -12.187 6.863 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.202 -13.782 7.571 1.00 0.00 C ATOM 0 H THR A 28 -8.630 -12.970 4.601 1.00 0.00 H new ATOM 0 HA THR A 28 -10.044 -15.284 5.856 1.00 0.00 H new ATOM 0 HB THR A 28 -10.327 -14.026 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.014 -11.738 7.692 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.078 -13.320 8.551 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.982 -14.847 7.641 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.518 -13.316 6.861 1.00 0.00 H new ATOM 360 N SER A 29 -12.083 -13.217 5.869 1.00 0.00 N ATOM 361 CA SER A 29 -13.343 -12.696 5.366 1.00 0.00 C ATOM 362 C SER A 29 -13.414 -11.185 5.594 1.00 0.00 C ATOM 363 O SER A 29 -14.142 -10.482 4.896 1.00 0.00 O ATOM 364 CB SER A 29 -14.532 -13.390 6.034 1.00 0.00 C ATOM 365 OG SER A 29 -14.144 -14.585 6.707 1.00 0.00 O ATOM 0 H SER A 29 -11.978 -13.174 6.883 1.00 0.00 H new ATOM 0 HA SER A 29 -13.393 -12.898 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.997 -12.708 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.284 -13.626 5.281 1.00 0.00 H new ATOM 0 HG SER A 29 -14.931 -14.997 7.122 1.00 0.00 H new ATOM 371 N GLN A 30 -12.647 -10.731 6.574 1.00 0.00 N ATOM 372 CA GLN A 30 -12.613 -9.316 6.904 1.00 0.00 C ATOM 373 C GLN A 30 -11.172 -8.802 6.891 1.00 0.00 C ATOM 374 O GLN A 30 -10.794 -7.982 7.726 1.00 0.00 O ATOM 375 CB GLN A 30 -13.278 -9.052 8.256 1.00 0.00 C ATOM 376 CG GLN A 30 -14.770 -8.762 8.086 1.00 0.00 C ATOM 377 CD GLN A 30 -15.423 -8.441 9.432 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.217 -9.116 10.428 1.00 0.00 O ATOM 379 NE2 GLN A 30 -16.220 -7.377 9.407 1.00 0.00 N ATOM 0 H GLN A 30 -12.044 -11.318 7.151 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.178 -8.773 6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.144 -9.916 8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -12.793 -8.207 8.745 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.906 -7.924 7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.263 -9.623 7.635 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.349 -6.856 8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.703 -7.081 10.255 1.00 0.00 H new ATOM 388 N SER A 31 -10.406 -9.307 5.935 1.00 0.00 N ATOM 389 CA SER A 31 -9.014 -8.909 5.803 1.00 0.00 C ATOM 390 C SER A 31 -8.448 -9.419 4.476 1.00 0.00 C ATOM 391 O SER A 31 -8.956 -10.387 3.912 1.00 0.00 O ATOM 392 CB SER A 31 -8.179 -9.432 6.973 1.00 0.00 C ATOM 393 OG SER A 31 -6.781 -9.349 6.710 1.00 0.00 O ATOM 0 H SER A 31 -10.722 -9.988 5.245 1.00 0.00 H new ATOM 0 HA SER A 31 -8.966 -7.820 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.414 -8.860 7.870 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.449 -10.468 7.176 1.00 0.00 H new ATOM 0 HG SER A 31 -6.504 -8.409 6.708 1.00 0.00 H new ATOM 399 N ILE A 32 -7.403 -8.746 4.017 1.00 0.00 N ATOM 400 CA ILE A 32 -6.763 -9.119 2.768 1.00 0.00 C ATOM 401 C ILE A 32 -5.250 -8.932 2.900 1.00 0.00 C ATOM 402 O ILE A 32 -4.791 -8.052 3.626 1.00 0.00 O ATOM 403 CB ILE A 32 -7.378 -8.347 1.599 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.878 -8.626 1.487 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.640 -8.650 0.293 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.496 -7.845 0.325 1.00 0.00 C ATOM 0 H ILE A 32 -6.984 -7.944 4.488 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.937 -10.173 2.551 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.262 -7.281 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.043 -9.693 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.373 -8.351 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.097 -8.089 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.594 -8.361 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.703 -9.717 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.563 -8.061 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.351 -6.777 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.015 -8.140 -0.608 1.00 0.00 H new ATOM 418 N GLN A 33 -4.517 -9.774 2.186 1.00 0.00 N ATOM 419 CA GLN A 33 -3.066 -9.713 2.214 1.00 0.00 C ATOM 420 C GLN A 33 -2.544 -8.934 1.005 1.00 0.00 C ATOM 421 O GLN A 33 -2.754 -9.339 -0.137 1.00 0.00 O ATOM 422 CB GLN A 33 -2.459 -11.116 2.266 1.00 0.00 C ATOM 423 CG GLN A 33 -0.931 -11.056 2.196 1.00 0.00 C ATOM 424 CD GLN A 33 -0.302 -12.268 2.885 1.00 0.00 C ATOM 425 OE1 GLN A 33 -0.225 -13.356 2.338 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.141 -12.021 4.115 1.00 0.00 N ATOM 0 H GLN A 33 -4.902 -10.502 1.584 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.761 -9.188 3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.765 -11.615 3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.841 -11.712 1.438 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.612 -11.020 1.154 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.578 -10.140 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.045 -11.087 4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.576 -12.766 4.659 1.00 0.00 H new ATOM 435 N VAL A 34 -1.873 -7.829 1.298 1.00 0.00 N ATOM 436 CA VAL A 34 -1.319 -6.990 0.250 1.00 0.00 C ATOM 437 C VAL A 34 0.201 -7.156 0.219 1.00 0.00 C ATOM 438 O VAL A 34 0.904 -6.632 1.082 1.00 0.00 O ATOM 439 CB VAL A 34 -1.758 -5.538 0.455 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.170 -4.630 -0.627 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.284 -5.427 0.495 1.00 0.00 C ATOM 0 H VAL A 34 -1.701 -7.496 2.247 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.699 -7.296 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.373 -5.204 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.497 -3.604 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.082 -4.675 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.512 -4.963 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.569 -4.385 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.700 -5.788 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.671 -6.028 1.318 1.00 0.00 H new ATOM 451 N THR A 35 0.665 -7.886 -0.785 1.00 0.00 N ATOM 452 CA THR A 35 2.089 -8.128 -0.939 1.00 0.00 C ATOM 453 C THR A 35 2.630 -7.369 -2.153 1.00 0.00 C ATOM 454 O THR A 35 1.982 -7.318 -3.197 1.00 0.00 O ATOM 455 CB THR A 35 2.306 -9.640 -1.022 1.00 0.00 C ATOM 456 OG1 THR A 35 1.165 -10.116 -1.732 1.00 0.00 O ATOM 457 CG2 THR A 35 2.206 -10.322 0.344 1.00 0.00 C ATOM 0 H THR A 35 0.079 -8.318 -1.500 1.00 0.00 H new ATOM 0 HA THR A 35 2.649 -7.752 -0.083 1.00 0.00 H new ATOM 0 HB THR A 35 3.284 -9.843 -1.458 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.225 -11.089 -1.833 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.368 -11.394 0.228 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.963 -9.911 1.012 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.216 -10.148 0.766 1.00 0.00 H new ATOM 465 N TRP A 36 3.813 -6.799 -1.975 1.00 0.00 N ATOM 466 CA TRP A 36 4.448 -6.045 -3.042 1.00 0.00 C ATOM 467 C TRP A 36 5.963 -6.190 -2.886 1.00 0.00 C ATOM 468 O TRP A 36 6.451 -6.513 -1.804 1.00 0.00 O ATOM 469 CB TRP A 36 3.983 -4.588 -3.036 1.00 0.00 C ATOM 470 CG TRP A 36 4.404 -3.805 -1.791 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.566 -3.177 -1.564 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.614 -3.591 -0.602 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.583 -2.577 -0.322 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.358 -2.836 0.282 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.314 -4.021 -0.284 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.888 -2.445 1.541 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.858 -3.622 0.978 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.595 -2.862 1.880 1.00 0.00 C ATOM 0 H TRP A 36 4.348 -6.844 -1.108 1.00 0.00 H new ATOM 0 HA TRP A 36 4.159 -6.438 -4.017 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.380 -4.087 -3.919 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.896 -4.564 -3.117 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.386 -3.145 -2.266 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.353 -2.042 0.079 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.714 -4.613 -0.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.490 -1.854 2.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.864 -3.926 1.272 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.172 -2.595 2.837 1.00 0.00 H new ATOM 489 N LYS A 37 6.666 -5.943 -3.982 1.00 0.00 N ATOM 490 CA LYS A 37 8.115 -6.042 -3.980 1.00 0.00 C ATOM 491 C LYS A 37 8.717 -4.652 -4.196 1.00 0.00 C ATOM 492 O LYS A 37 8.087 -3.786 -4.802 1.00 0.00 O ATOM 493 CB LYS A 37 8.583 -7.080 -5.002 1.00 0.00 C ATOM 494 CG LYS A 37 8.302 -8.501 -4.508 1.00 0.00 C ATOM 495 CD LYS A 37 8.697 -9.536 -5.563 1.00 0.00 C ATOM 496 CE LYS A 37 9.665 -10.569 -4.983 1.00 0.00 C ATOM 497 NZ LYS A 37 9.634 -11.815 -5.781 1.00 0.00 N ATOM 0 H LYS A 37 6.258 -5.674 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 37 8.471 -6.398 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.076 -6.914 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.651 -6.959 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.855 -8.686 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.243 -8.605 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.805 -10.038 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.160 -9.035 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.676 -10.162 -4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.398 -10.786 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.297 -12.505 -5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.672 -12.211 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.911 -11.606 -6.761 1.00 0.00 H new ATOM 511 N ALA A 38 9.929 -4.481 -3.688 1.00 0.00 N ATOM 512 CA ALA A 38 10.623 -3.211 -3.817 1.00 0.00 C ATOM 513 C ALA A 38 10.375 -2.640 -5.215 1.00 0.00 C ATOM 514 O ALA A 38 10.317 -3.385 -6.192 1.00 0.00 O ATOM 515 CB ALA A 38 12.111 -3.410 -3.524 1.00 0.00 C ATOM 0 H ALA A 38 10.448 -5.201 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 38 10.242 -2.490 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.631 -2.457 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.235 -3.790 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.529 -4.125 -4.232 1.00 0.00 H new ATOM 521 N PRO A 39 10.232 -1.289 -5.266 1.00 0.00 N ATOM 522 CA PRO A 39 9.992 -0.609 -6.528 1.00 0.00 C ATOM 523 C PRO A 39 11.271 -0.541 -7.366 1.00 0.00 C ATOM 524 O PRO A 39 12.340 -0.939 -6.907 1.00 0.00 O ATOM 525 CB PRO A 39 9.462 0.762 -6.142 1.00 0.00 C ATOM 526 CG PRO A 39 9.860 0.969 -4.690 1.00 0.00 C ATOM 527 CD PRO A 39 10.295 -0.375 -4.129 1.00 0.00 C ATOM 0 HA PRO A 39 9.276 -1.135 -7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.887 1.538 -6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.380 0.810 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.671 1.694 -4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.022 1.368 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.303 -0.325 -3.717 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.637 -0.700 -3.323 1.00 0.00 H new ATOM 535 N LYS A 40 11.118 -0.033 -8.580 1.00 0.00 N ATOM 536 CA LYS A 40 12.247 0.093 -9.486 1.00 0.00 C ATOM 537 C LYS A 40 13.481 0.538 -8.698 1.00 0.00 C ATOM 538 O LYS A 40 13.362 1.255 -7.706 1.00 0.00 O ATOM 539 CB LYS A 40 11.897 1.017 -10.654 1.00 0.00 C ATOM 540 CG LYS A 40 11.742 0.223 -11.953 1.00 0.00 C ATOM 541 CD LYS A 40 10.267 -0.042 -12.261 1.00 0.00 C ATOM 542 CE LYS A 40 10.101 -0.674 -13.645 1.00 0.00 C ATOM 543 NZ LYS A 40 9.785 0.362 -14.653 1.00 0.00 N ATOM 0 H LYS A 40 10.229 0.296 -8.957 1.00 0.00 H new ATOM 0 HA LYS A 40 12.485 -0.872 -9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.971 1.550 -10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.677 1.769 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.196 0.774 -12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.276 -0.724 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.846 -0.703 -11.503 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.708 0.893 -12.215 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.016 -1.195 -13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.305 -1.419 -13.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.676 -0.084 -15.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.900 0.841 -14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.557 1.057 -14.690 1.00 0.00 H new ATOM 557 N LYS A 41 14.637 0.095 -9.170 1.00 0.00 N ATOM 558 CA LYS A 41 15.891 0.439 -8.522 1.00 0.00 C ATOM 559 C LYS A 41 16.279 1.870 -8.899 1.00 0.00 C ATOM 560 O LYS A 41 16.664 2.660 -8.039 1.00 0.00 O ATOM 561 CB LYS A 41 16.967 -0.598 -8.853 1.00 0.00 C ATOM 562 CG LYS A 41 18.350 -0.109 -8.421 1.00 0.00 C ATOM 563 CD LYS A 41 18.800 -0.802 -7.133 1.00 0.00 C ATOM 564 CE LYS A 41 19.964 -0.051 -6.483 1.00 0.00 C ATOM 565 NZ LYS A 41 21.256 -0.533 -7.020 1.00 0.00 N ATOM 0 H LYS A 41 14.731 -0.499 -9.994 1.00 0.00 H new ATOM 0 HA LYS A 41 15.779 0.414 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.737 -1.539 -8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.966 -0.799 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.072 -0.303 -9.214 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.327 0.970 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.964 -0.858 -6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.101 -1.826 -7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.863 1.018 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.937 -0.192 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.035 -0.013 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.357 -1.549 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.285 -0.376 -8.048 1.00 0.00 H new ATOM 579 N GLU A 42 16.164 2.160 -10.187 1.00 0.00 N ATOM 580 CA GLU A 42 16.498 3.482 -10.689 1.00 0.00 C ATOM 581 C GLU A 42 15.417 4.490 -10.291 1.00 0.00 C ATOM 582 O GLU A 42 15.604 5.696 -10.438 1.00 0.00 O ATOM 583 CB GLU A 42 16.695 3.459 -12.206 1.00 0.00 C ATOM 584 CG GLU A 42 15.393 3.093 -12.922 1.00 0.00 C ATOM 585 CD GLU A 42 15.624 2.923 -14.425 1.00 0.00 C ATOM 586 OE1 GLU A 42 16.077 1.823 -14.809 1.00 0.00 O ATOM 587 OE2 GLU A 42 15.341 3.896 -15.157 1.00 0.00 O ATOM 0 H GLU A 42 15.844 1.502 -10.898 1.00 0.00 H new ATOM 0 HA GLU A 42 17.440 3.793 -10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.039 4.435 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.471 2.739 -12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.992 2.169 -12.505 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.648 3.870 -12.750 1.00 0.00 H new ATOM 594 N LEU A 43 14.310 3.957 -9.795 1.00 0.00 N ATOM 595 CA LEU A 43 13.200 4.794 -9.375 1.00 0.00 C ATOM 596 C LEU A 43 13.161 4.853 -7.847 1.00 0.00 C ATOM 597 O LEU A 43 12.473 5.695 -7.272 1.00 0.00 O ATOM 598 CB LEU A 43 11.893 4.307 -10.005 1.00 0.00 C ATOM 599 CG LEU A 43 11.846 4.307 -11.535 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.439 3.979 -12.039 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.363 5.632 -12.099 1.00 0.00 C ATOM 0 H LEU A 43 14.158 2.956 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 43 13.337 5.815 -9.731 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.700 3.293 -9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.080 4.932 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 43 12.510 3.522 -11.898 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.432 3.985 -13.129 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.145 2.993 -11.680 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.736 4.725 -11.668 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.319 5.606 -13.188 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.745 6.450 -11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.394 5.785 -11.781 1.00 0.00 H new ATOM 613 N GLN A 44 13.908 3.948 -7.232 1.00 0.00 N ATOM 614 CA GLN A 44 13.967 3.886 -5.782 1.00 0.00 C ATOM 615 C GLN A 44 14.311 5.261 -5.206 1.00 0.00 C ATOM 616 O GLN A 44 13.680 5.714 -4.252 1.00 0.00 O ATOM 617 CB GLN A 44 14.972 2.830 -5.318 1.00 0.00 C ATOM 618 CG GLN A 44 14.264 1.667 -4.621 1.00 0.00 C ATOM 619 CD GLN A 44 15.168 0.435 -4.556 1.00 0.00 C ATOM 620 OE1 GLN A 44 16.182 0.412 -3.878 1.00 0.00 O ATOM 621 NE2 GLN A 44 14.746 -0.586 -5.296 1.00 0.00 N ATOM 0 H GLN A 44 14.478 3.251 -7.712 1.00 0.00 H new ATOM 0 HA GLN A 44 12.985 3.593 -5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.534 2.457 -6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.692 3.283 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.975 1.964 -3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.347 1.422 -5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.888 -0.501 -5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.280 -1.454 -5.319 1.00 0.00 H new ATOM 630 N ASN A 45 15.310 5.887 -5.809 1.00 0.00 N ATOM 631 CA ASN A 45 15.746 7.201 -5.368 1.00 0.00 C ATOM 632 C ASN A 45 16.064 7.153 -3.873 1.00 0.00 C ATOM 633 O ASN A 45 15.624 8.014 -3.113 1.00 0.00 O ATOM 634 CB ASN A 45 14.649 8.246 -5.585 1.00 0.00 C ATOM 635 CG ASN A 45 14.567 8.658 -7.056 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.438 8.366 -7.859 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.474 9.351 -7.364 1.00 0.00 N ATOM 0 H ASN A 45 15.831 5.508 -6.600 1.00 0.00 H new ATOM 0 HA ASN A 45 16.627 7.477 -5.948 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.689 7.843 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.850 9.122 -4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.326 9.672 -8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.784 9.561 -6.643 1.00 0.00 H new ATOM 644 N GLY A 46 16.826 6.137 -3.495 1.00 0.00 N ATOM 645 CA GLY A 46 17.209 5.965 -2.104 1.00 0.00 C ATOM 646 C GLY A 46 16.314 4.935 -1.412 1.00 0.00 C ATOM 647 O GLY A 46 15.209 4.656 -1.876 1.00 0.00 O ATOM 0 H GLY A 46 17.189 5.424 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.249 5.645 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.140 6.920 -1.583 1.00 0.00 H new ATOM 651 N VAL A 47 16.824 4.397 -0.314 1.00 0.00 N ATOM 652 CA VAL A 47 16.085 3.403 0.446 1.00 0.00 C ATOM 653 C VAL A 47 14.660 3.906 0.684 1.00 0.00 C ATOM 654 O VAL A 47 14.354 5.067 0.414 1.00 0.00 O ATOM 655 CB VAL A 47 16.828 3.076 1.742 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.854 4.286 2.679 1.00 0.00 C ATOM 657 CG2 VAL A 47 16.213 1.859 2.435 1.00 0.00 C ATOM 0 H VAL A 47 17.741 4.631 0.068 1.00 0.00 H new ATOM 0 HA VAL A 47 16.012 2.471 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 47 17.858 2.829 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.388 4.027 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.359 5.117 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.833 4.577 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.760 1.648 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.169 2.065 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 47 16.270 0.995 1.772 1.00 0.00 H new ATOM 667 N ILE A 48 13.826 3.009 1.189 1.00 0.00 N ATOM 668 CA ILE A 48 12.441 3.347 1.467 1.00 0.00 C ATOM 669 C ILE A 48 12.185 3.236 2.971 1.00 0.00 C ATOM 670 O ILE A 48 12.646 2.295 3.615 1.00 0.00 O ATOM 671 CB ILE A 48 11.499 2.490 0.619 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.106 2.205 -0.757 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.116 3.136 0.512 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.205 3.485 -1.588 1.00 0.00 C ATOM 0 H ILE A 48 14.083 2.048 1.413 1.00 0.00 H new ATOM 0 HA ILE A 48 12.238 4.380 1.184 1.00 0.00 H new ATOM 0 HB ILE A 48 11.368 1.530 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.097 1.767 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.495 1.472 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.466 2.506 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.687 3.245 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.208 4.118 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.639 3.255 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.210 3.907 -1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.837 4.207 -1.070 1.00 0.00 H new ATOM 686 N ARG A 49 11.452 4.212 3.488 1.00 0.00 N ATOM 687 CA ARG A 49 11.130 4.236 4.905 1.00 0.00 C ATOM 688 C ARG A 49 9.859 3.427 5.174 1.00 0.00 C ATOM 689 O ARG A 49 9.714 2.828 6.238 1.00 0.00 O ATOM 690 CB ARG A 49 10.929 5.669 5.400 1.00 0.00 C ATOM 691 CG ARG A 49 12.191 6.506 5.184 1.00 0.00 C ATOM 692 CD ARG A 49 12.682 7.107 6.503 1.00 0.00 C ATOM 693 NE ARG A 49 11.736 8.146 6.969 1.00 0.00 N ATOM 694 CZ ARG A 49 11.742 8.669 8.202 1.00 0.00 C ATOM 695 NH1 ARG A 49 12.645 8.255 9.101 1.00 0.00 N ATOM 696 NH2 ARG A 49 10.846 9.607 8.537 1.00 0.00 N ATOM 0 H ARG A 49 11.072 4.992 2.951 1.00 0.00 H new ATOM 0 HA ARG A 49 11.968 3.793 5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.091 6.125 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.672 5.659 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.974 5.885 4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.985 7.304 4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.776 6.325 7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.673 7.540 6.368 1.00 0.00 H new ATOM 0 HE ARG A 49 11.036 8.485 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.328 7.541 8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.650 8.653 10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.159 9.923 7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.851 10.005 9.476 1.00 0.00 H new ATOM 710 N GLY A 50 8.971 3.436 4.191 1.00 0.00 N ATOM 711 CA GLY A 50 7.717 2.712 4.308 1.00 0.00 C ATOM 712 C GLY A 50 6.846 2.919 3.068 1.00 0.00 C ATOM 713 O GLY A 50 7.192 3.703 2.186 1.00 0.00 O ATOM 0 H GLY A 50 9.095 3.934 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.918 1.649 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.180 3.049 5.194 1.00 0.00 H new ATOM 717 N TYR A 51 5.732 2.201 3.039 1.00 0.00 N ATOM 718 CA TYR A 51 4.809 2.296 1.921 1.00 0.00 C ATOM 719 C TYR A 51 3.378 2.528 2.411 1.00 0.00 C ATOM 720 O TYR A 51 2.974 1.986 3.438 1.00 0.00 O ATOM 721 CB TYR A 51 4.877 0.948 1.202 1.00 0.00 C ATOM 722 CG TYR A 51 6.229 0.659 0.547 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.364 0.551 1.325 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.314 0.507 -0.822 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.637 0.279 0.709 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.587 0.236 -1.438 1.00 0.00 C ATOM 727 CZ TYR A 51 8.685 0.135 -0.643 1.00 0.00 C ATOM 728 OH TYR A 51 9.887 -0.121 -1.225 1.00 0.00 O ATOM 0 H TYR A 51 5.448 1.551 3.772 1.00 0.00 H new ATOM 0 HA TYR A 51 5.077 3.130 1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.654 0.155 1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.100 0.916 0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.297 0.671 2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.426 0.591 -1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.533 0.191 1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.668 0.116 -2.508 1.00 0.00 H new ATOM 0 HH TYR A 51 10.028 -1.090 -1.273 1.00 0.00 H new ATOM 738 N GLN A 52 2.651 3.335 1.652 1.00 0.00 N ATOM 739 CA GLN A 52 1.274 3.646 1.996 1.00 0.00 C ATOM 740 C GLN A 52 0.319 2.686 1.282 1.00 0.00 C ATOM 741 O GLN A 52 0.422 2.488 0.072 1.00 0.00 O ATOM 742 CB GLN A 52 0.940 5.101 1.660 1.00 0.00 C ATOM 743 CG GLN A 52 1.321 6.031 2.814 1.00 0.00 C ATOM 744 CD GLN A 52 1.004 7.488 2.472 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.898 7.873 1.319 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.859 8.274 3.535 1.00 0.00 N ATOM 0 H GLN A 52 2.990 3.783 0.800 1.00 0.00 H new ATOM 0 HA GLN A 52 1.151 3.518 3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.471 5.400 0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.125 5.194 1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.780 5.739 3.714 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.384 5.928 3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.961 7.887 4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.646 9.264 3.412 1.00 0.00 H new ATOM 755 N ILE A 53 -0.587 2.116 2.062 1.00 0.00 N ATOM 756 CA ILE A 53 -1.559 1.181 1.520 1.00 0.00 C ATOM 757 C ILE A 53 -2.962 1.777 1.652 1.00 0.00 C ATOM 758 O ILE A 53 -3.588 1.672 2.705 1.00 0.00 O ATOM 759 CB ILE A 53 -1.409 -0.191 2.180 1.00 0.00 C ATOM 760 CG1 ILE A 53 -0.033 -0.792 1.889 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.544 -1.128 1.761 1.00 0.00 C ATOM 762 CD1 ILE A 53 1.014 -0.269 2.875 1.00 0.00 C ATOM 0 H ILE A 53 -0.669 2.283 3.065 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.380 1.019 0.457 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.481 -0.060 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.086 -1.879 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.267 -0.546 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.413 -2.096 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.500 -0.699 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.528 -1.257 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.983 -0.712 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.082 0.816 2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.723 -0.538 3.891 1.00 0.00 H new ATOM 774 N GLY A 54 -3.415 2.390 0.568 1.00 0.00 N ATOM 775 CA GLY A 54 -4.732 3.003 0.549 1.00 0.00 C ATOM 776 C GLY A 54 -5.782 2.030 0.010 1.00 0.00 C ATOM 777 O GLY A 54 -5.726 1.632 -1.152 1.00 0.00 O ATOM 0 H GLY A 54 -2.893 2.475 -0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.005 3.317 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.711 3.900 -0.070 1.00 0.00 H new ATOM 781 N TYR A 55 -6.715 1.675 0.881 1.00 0.00 N ATOM 782 CA TYR A 55 -7.777 0.755 0.506 1.00 0.00 C ATOM 783 C TYR A 55 -9.152 1.347 0.823 1.00 0.00 C ATOM 784 O TYR A 55 -9.318 2.037 1.828 1.00 0.00 O ATOM 785 CB TYR A 55 -7.567 -0.499 1.356 1.00 0.00 C ATOM 786 CG TYR A 55 -7.861 -0.299 2.844 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.968 0.392 3.638 1.00 0.00 C ATOM 788 CD2 TYR A 55 -9.020 -0.810 3.393 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.246 0.580 5.038 1.00 0.00 C ATOM 790 CE2 TYR A 55 -9.297 -0.622 4.794 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.396 0.064 5.547 1.00 0.00 C ATOM 792 OH TYR A 55 -8.658 0.241 6.870 1.00 0.00 O ATOM 0 H TYR A 55 -6.758 2.007 1.844 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.745 0.546 -0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.206 -1.295 0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.536 -0.834 1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.061 0.792 3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.719 -1.351 2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.556 1.119 5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.200 -1.017 5.236 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.514 -0.180 7.093 1.00 0.00 H new ATOM 802 N ARG A 56 -10.102 1.056 -0.053 1.00 0.00 N ATOM 803 CA ARG A 56 -11.457 1.551 0.120 1.00 0.00 C ATOM 804 C ARG A 56 -12.448 0.658 -0.629 1.00 0.00 C ATOM 805 O ARG A 56 -12.200 0.269 -1.769 1.00 0.00 O ATOM 806 CB ARG A 56 -11.588 2.987 -0.391 1.00 0.00 C ATOM 807 CG ARG A 56 -11.131 3.095 -1.847 1.00 0.00 C ATOM 808 CD ARG A 56 -12.098 3.955 -2.663 1.00 0.00 C ATOM 809 NE ARG A 56 -12.102 3.512 -4.075 1.00 0.00 N ATOM 810 CZ ARG A 56 -13.089 3.773 -4.943 1.00 0.00 C ATOM 811 NH1 ARG A 56 -14.158 4.477 -4.548 1.00 0.00 N ATOM 812 NH2 ARG A 56 -13.006 3.331 -6.205 1.00 0.00 N ATOM 0 H ARG A 56 -9.960 0.483 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.682 1.535 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.624 3.314 -0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.992 3.654 0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.131 3.528 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.065 2.099 -2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.103 3.881 -2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.805 5.003 -2.603 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.303 2.974 -4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.220 4.814 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.910 4.676 -5.208 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.191 2.796 -6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.757 3.530 -6.865 1.00 0.00 H new ATOM 826 N GLU A 57 -13.550 0.359 0.043 1.00 0.00 N ATOM 827 CA GLU A 57 -14.580 -0.482 -0.544 1.00 0.00 C ATOM 828 C GLU A 57 -14.827 -0.079 -2.000 1.00 0.00 C ATOM 829 O GLU A 57 -14.998 1.101 -2.300 1.00 0.00 O ATOM 830 CB GLU A 57 -15.873 -0.415 0.270 1.00 0.00 C ATOM 831 CG GLU A 57 -16.629 -1.744 0.209 1.00 0.00 C ATOM 832 CD GLU A 57 -18.142 -1.515 0.228 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.543 -0.405 0.639 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.862 -2.456 -0.170 1.00 0.00 O ATOM 0 H GLU A 57 -13.752 0.684 0.988 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.232 -1.515 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.642 -0.171 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.506 0.386 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.351 -2.284 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.341 -2.369 1.054 1.00 0.00 H new ATOM 936 N TYR A 66 -9.725 6.950 0.612 1.00 0.00 N ATOM 937 CA TYR A 66 -8.873 5.778 0.730 1.00 0.00 C ATOM 938 C TYR A 66 -8.161 5.752 2.084 1.00 0.00 C ATOM 939 O TYR A 66 -7.434 6.684 2.425 1.00 0.00 O ATOM 940 CB TYR A 66 -7.828 5.903 -0.380 1.00 0.00 C ATOM 941 CG TYR A 66 -8.260 5.289 -1.713 1.00 0.00 C ATOM 942 CD1 TYR A 66 -9.061 6.008 -2.577 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.848 4.016 -2.052 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.467 5.430 -3.832 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.255 3.438 -3.307 1.00 0.00 C ATOM 946 CZ TYR A 66 -9.044 4.174 -4.135 1.00 0.00 C ATOM 947 OH TYR A 66 -9.428 3.628 -5.320 1.00 0.00 O ATOM 0 HA TYR A 66 -9.463 4.865 0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.601 6.958 -0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.906 5.423 -0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.383 7.004 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.221 3.453 -1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.093 5.982 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.941 2.443 -3.584 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.051 2.727 -5.403 1.00 0.00 H new ATOM 957 N SER A 67 -8.395 4.674 2.819 1.00 0.00 N ATOM 958 CA SER A 67 -7.785 4.514 4.128 1.00 0.00 C ATOM 959 C SER A 67 -6.282 4.271 3.979 1.00 0.00 C ATOM 960 O SER A 67 -5.862 3.190 3.569 1.00 0.00 O ATOM 961 CB SER A 67 -8.435 3.365 4.902 1.00 0.00 C ATOM 962 OG SER A 67 -9.762 3.681 5.312 1.00 0.00 O ATOM 0 H SER A 67 -8.999 3.903 2.533 1.00 0.00 H new ATOM 0 HA SER A 67 -7.943 5.432 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.451 2.471 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.831 3.131 5.778 1.00 0.00 H new ATOM 0 HG SER A 67 -10.143 2.922 5.801 1.00 0.00 H new ATOM 968 N ILE A 68 -5.513 5.295 4.319 1.00 0.00 N ATOM 969 CA ILE A 68 -4.065 5.206 4.228 1.00 0.00 C ATOM 970 C ILE A 68 -3.513 4.603 5.522 1.00 0.00 C ATOM 971 O ILE A 68 -3.933 4.980 6.615 1.00 0.00 O ATOM 972 CB ILE A 68 -3.465 6.570 3.881 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.915 7.029 2.492 1.00 0.00 C ATOM 974 CG2 ILE A 68 -1.941 6.547 4.011 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.432 6.060 1.411 1.00 0.00 C ATOM 0 H ILE A 68 -5.865 6.190 4.658 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.775 4.540 3.416 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.838 7.301 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.002 7.099 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.526 8.027 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.539 7.528 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.667 6.295 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.529 5.801 3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.765 6.409 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.343 6.011 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.843 5.068 1.601 1.00 0.00 H new ATOM 987 N VAL A 69 -2.581 3.676 5.354 1.00 0.00 N ATOM 988 CA VAL A 69 -1.968 3.017 6.495 1.00 0.00 C ATOM 989 C VAL A 69 -0.446 3.127 6.384 1.00 0.00 C ATOM 990 O VAL A 69 0.148 2.632 5.427 1.00 0.00 O ATOM 991 CB VAL A 69 -2.457 1.571 6.589 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.669 1.462 7.517 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.775 1.008 5.203 1.00 0.00 C ATOM 0 H VAL A 69 -2.236 3.366 4.446 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.263 3.507 7.423 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.653 0.972 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.997 0.424 7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.395 1.804 8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.479 2.081 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.120 -0.021 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.554 1.610 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.877 1.033 4.585 1.00 0.00 H new ATOM 1003 N GLU A 70 0.142 3.780 7.376 1.00 0.00 N ATOM 1004 CA GLU A 70 1.584 3.962 7.402 1.00 0.00 C ATOM 1005 C GLU A 70 2.268 2.698 7.926 1.00 0.00 C ATOM 1006 O GLU A 70 1.787 2.073 8.870 1.00 0.00 O ATOM 1007 CB GLU A 70 1.968 5.182 8.241 1.00 0.00 C ATOM 1008 CG GLU A 70 3.419 5.086 8.716 1.00 0.00 C ATOM 1009 CD GLU A 70 4.056 6.473 8.818 1.00 0.00 C ATOM 1010 OE1 GLU A 70 3.732 7.312 7.949 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.851 6.664 9.763 1.00 0.00 O ATOM 0 H GLU A 70 -0.354 4.190 8.168 1.00 0.00 H new ATOM 0 HA GLU A 70 1.927 4.142 6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.834 6.090 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.304 5.259 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.455 4.593 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.992 4.469 8.024 1.00 0.00 H new ATOM 1018 N MET A 71 3.381 2.359 7.291 1.00 0.00 N ATOM 1019 CA MET A 71 4.137 1.181 7.681 1.00 0.00 C ATOM 1020 C MET A 71 5.635 1.391 7.455 1.00 0.00 C ATOM 1021 O MET A 71 6.053 2.446 6.980 1.00 0.00 O ATOM 1022 CB MET A 71 3.661 -0.024 6.867 1.00 0.00 C ATOM 1023 CG MET A 71 4.087 0.102 5.403 1.00 0.00 C ATOM 1024 SD MET A 71 5.698 -0.632 5.171 1.00 0.00 S ATOM 1025 CE MET A 71 5.238 -2.351 5.031 1.00 0.00 C ATOM 0 H MET A 71 3.777 2.880 6.509 1.00 0.00 H new ATOM 0 HA MET A 71 3.971 1.001 8.743 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.072 -0.940 7.292 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.576 -0.103 6.928 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.358 -0.390 4.760 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.111 1.152 5.112 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.041 -2.976 5.422 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.327 -2.531 5.602 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.065 -2.597 3.983 1.00 0.00 H new ATOM 1035 N LYS A 72 6.403 0.370 7.807 1.00 0.00 N ATOM 1036 CA LYS A 72 7.846 0.430 7.648 1.00 0.00 C ATOM 1037 C LYS A 72 8.302 -0.709 6.733 1.00 0.00 C ATOM 1038 O LYS A 72 7.710 -1.787 6.737 1.00 0.00 O ATOM 1039 CB LYS A 72 8.535 0.435 9.014 1.00 0.00 C ATOM 1040 CG LYS A 72 8.397 -0.924 9.703 1.00 0.00 C ATOM 1041 CD LYS A 72 9.769 -1.516 10.029 1.00 0.00 C ATOM 1042 CE LYS A 72 9.635 -2.753 10.919 1.00 0.00 C ATOM 1043 NZ LYS A 72 10.041 -3.970 10.180 1.00 0.00 N ATOM 0 H LYS A 72 6.053 -0.503 8.202 1.00 0.00 H new ATOM 0 HA LYS A 72 8.138 1.363 7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.590 0.679 8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.099 1.211 9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.818 -0.814 10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.846 -1.608 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.283 -1.782 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.382 -0.767 10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.254 -2.637 11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.604 -2.854 11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.322 -4.710 10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.132 -3.747 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.955 -4.309 10.544 1.00 0.00 H new ATOM 1057 N ALA A 73 9.349 -0.430 5.972 1.00 0.00 N ATOM 1058 CA ALA A 73 9.891 -1.418 5.054 1.00 0.00 C ATOM 1059 C ALA A 73 10.871 -2.322 5.805 1.00 0.00 C ATOM 1060 O ALA A 73 11.908 -1.861 6.279 1.00 0.00 O ATOM 1061 CB ALA A 73 10.546 -0.707 3.867 1.00 0.00 C ATOM 0 H ALA A 73 9.837 0.466 5.972 1.00 0.00 H new ATOM 0 HA ALA A 73 9.097 -2.050 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.953 -1.448 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.802 -0.101 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.351 -0.065 4.226 1.00 0.00 H new ATOM 1067 N THR A 74 10.506 -3.593 5.889 1.00 0.00 N ATOM 1068 CA THR A 74 11.340 -4.566 6.574 1.00 0.00 C ATOM 1069 C THR A 74 12.588 -4.877 5.746 1.00 0.00 C ATOM 1070 O THR A 74 13.682 -5.014 6.291 1.00 0.00 O ATOM 1071 CB THR A 74 10.483 -5.800 6.868 1.00 0.00 C ATOM 1072 OG1 THR A 74 10.202 -6.341 5.580 1.00 0.00 O ATOM 1073 CG2 THR A 74 9.107 -5.436 7.428 1.00 0.00 C ATOM 0 H THR A 74 9.645 -3.971 5.494 1.00 0.00 H new ATOM 0 HA THR A 74 11.707 -4.173 7.522 1.00 0.00 H new ATOM 0 HB THR A 74 11.004 -6.445 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.398 -5.916 5.215 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.539 -6.347 7.619 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.228 -4.882 8.359 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.572 -4.820 6.706 1.00 0.00 H new ATOM 1081 N GLY A 75 12.383 -4.979 4.441 1.00 0.00 N ATOM 1082 CA GLY A 75 13.478 -5.271 3.531 1.00 0.00 C ATOM 1083 C GLY A 75 13.153 -4.799 2.112 1.00 0.00 C ATOM 1084 O GLY A 75 12.772 -3.647 1.909 1.00 0.00 O ATOM 0 H GLY A 75 11.474 -4.865 3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.387 -4.782 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.675 -6.343 3.525 1.00 0.00 H new ATOM 1088 N ASP A 76 13.314 -5.714 1.168 1.00 0.00 N ATOM 1089 CA ASP A 76 13.042 -5.407 -0.226 1.00 0.00 C ATOM 1090 C ASP A 76 11.546 -5.572 -0.498 1.00 0.00 C ATOM 1091 O ASP A 76 10.952 -4.778 -1.227 1.00 0.00 O ATOM 1092 CB ASP A 76 13.800 -6.355 -1.157 1.00 0.00 C ATOM 1093 CG ASP A 76 13.078 -7.667 -1.471 1.00 0.00 C ATOM 1094 OD1 ASP A 76 13.201 -8.595 -0.642 1.00 0.00 O ATOM 1095 OD2 ASP A 76 12.419 -7.713 -2.532 1.00 0.00 O ATOM 0 H ASP A 76 13.629 -6.668 1.341 1.00 0.00 H new ATOM 0 HA ASP A 76 13.364 -4.383 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.002 -5.836 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.765 -6.588 -0.707 1.00 0.00 H new ATOM 1100 N SER A 77 10.979 -6.609 0.102 1.00 0.00 N ATOM 1101 CA SER A 77 9.563 -6.888 -0.067 1.00 0.00 C ATOM 1102 C SER A 77 8.814 -6.602 1.236 1.00 0.00 C ATOM 1103 O SER A 77 9.346 -6.823 2.323 1.00 0.00 O ATOM 1104 CB SER A 77 9.336 -8.337 -0.502 1.00 0.00 C ATOM 1105 OG SER A 77 9.157 -9.208 0.612 1.00 0.00 O ATOM 0 H SER A 77 11.474 -7.266 0.705 1.00 0.00 H new ATOM 0 HA SER A 77 9.177 -6.236 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.459 -8.389 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.187 -8.675 -1.093 1.00 0.00 H new ATOM 0 HG SER A 77 9.013 -10.123 0.292 1.00 0.00 H new ATOM 1111 N GLU A 78 7.592 -6.115 1.084 1.00 0.00 N ATOM 1112 CA GLU A 78 6.765 -5.796 2.236 1.00 0.00 C ATOM 1113 C GLU A 78 5.347 -6.334 2.036 1.00 0.00 C ATOM 1114 O GLU A 78 4.950 -6.648 0.915 1.00 0.00 O ATOM 1115 CB GLU A 78 6.747 -4.288 2.498 1.00 0.00 C ATOM 1116 CG GLU A 78 8.127 -3.674 2.258 1.00 0.00 C ATOM 1117 CD GLU A 78 9.184 -4.339 3.143 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.846 -4.626 4.312 1.00 0.00 O ATOM 1119 OE2 GLU A 78 10.306 -4.544 2.631 1.00 0.00 O ATOM 0 H GLU A 78 7.154 -5.933 0.181 1.00 0.00 H new ATOM 0 HA GLU A 78 7.196 -6.279 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.014 -3.811 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.434 -4.097 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.402 -3.787 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.094 -2.604 2.465 1.00 0.00 H new ATOM 1126 N VAL A 79 4.622 -6.426 3.141 1.00 0.00 N ATOM 1127 CA VAL A 79 3.256 -6.921 3.102 1.00 0.00 C ATOM 1128 C VAL A 79 2.447 -6.263 4.221 1.00 0.00 C ATOM 1129 O VAL A 79 3.001 -5.880 5.250 1.00 0.00 O ATOM 1130 CB VAL A 79 3.251 -8.449 3.180 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.909 -8.934 4.473 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.830 -9.000 3.047 1.00 0.00 C ATOM 0 H VAL A 79 4.955 -6.166 4.069 1.00 0.00 H new ATOM 0 HA VAL A 79 2.780 -6.655 2.158 1.00 0.00 H new ATOM 0 HB VAL A 79 3.837 -8.829 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.892 -10.023 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.941 -8.586 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.363 -8.539 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.855 -10.088 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.210 -8.607 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.411 -8.698 2.087 1.00 0.00 H new ATOM 1142 N TYR A 80 1.148 -6.151 3.982 1.00 0.00 N ATOM 1143 CA TYR A 80 0.257 -5.546 4.957 1.00 0.00 C ATOM 1144 C TYR A 80 -1.122 -6.208 4.924 1.00 0.00 C ATOM 1145 O TYR A 80 -1.771 -6.247 3.880 1.00 0.00 O ATOM 1146 CB TYR A 80 0.116 -4.079 4.546 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.319 -3.153 5.683 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.485 -3.410 6.375 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.455 -2.061 6.018 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -1.894 -2.539 7.446 1.00 0.00 C ATOM 1151 CE2 TYR A 80 0.046 -1.189 7.089 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.108 -1.471 7.750 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.494 -0.648 8.761 1.00 0.00 O ATOM 0 H TYR A 80 0.692 -6.469 3.127 1.00 0.00 H new ATOM 0 HA TYR A 80 0.656 -5.661 5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.070 -3.730 4.152 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.609 -4.008 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.091 -4.265 6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.368 -1.860 5.477 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.804 -2.729 7.996 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.643 -0.331 7.361 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.899 0.130 8.794 1.00 0.00 H new ATOM 1163 N THR A 81 -1.529 -6.711 6.080 1.00 0.00 N ATOM 1164 CA THR A 81 -2.820 -7.369 6.196 1.00 0.00 C ATOM 1165 C THR A 81 -3.911 -6.348 6.526 1.00 0.00 C ATOM 1166 O THR A 81 -4.140 -6.034 7.692 1.00 0.00 O ATOM 1167 CB THR A 81 -2.692 -8.480 7.241 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.067 -9.549 6.536 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.049 -9.051 7.658 1.00 0.00 C ATOM 0 H THR A 81 -0.988 -6.676 6.944 1.00 0.00 H new ATOM 0 HA THR A 81 -3.119 -7.824 5.251 1.00 0.00 H new ATOM 0 HB THR A 81 -2.176 -8.094 8.120 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.944 -10.311 7.140 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.901 -9.835 8.400 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.662 -8.257 8.086 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.552 -9.468 6.785 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.555 -5.860 5.476 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.617 -4.881 5.639 1.00 0.00 C ATOM 1179 C LEU A 82 -6.877 -5.582 6.151 1.00 0.00 C ATOM 1180 O LEU A 82 -7.548 -6.287 5.399 1.00 0.00 O ATOM 1181 CB LEU A 82 -5.831 -4.102 4.340 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.606 -3.374 3.784 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.767 -3.092 2.289 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.317 -2.100 4.580 1.00 0.00 C ATOM 0 H LEU A 82 -4.362 -6.124 4.510 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.339 -4.138 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.193 -4.794 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.620 -3.369 4.505 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.741 -4.027 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.882 -2.574 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.887 -4.033 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.646 -2.468 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.441 -1.602 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.176 -1.432 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.127 -2.357 5.622 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.160 -5.364 7.427 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.327 -5.966 8.048 1.00 0.00 C ATOM 1198 C ASP A 83 -9.512 -5.005 7.936 1.00 0.00 C ATOM 1199 O ASP A 83 -9.376 -3.907 7.398 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.081 -6.241 9.533 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.244 -5.184 10.256 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -6.010 -5.202 10.055 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -7.856 -4.382 10.994 1.00 0.00 O ATOM 0 H ASP A 83 -6.601 -4.779 8.048 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.534 -6.906 7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.044 -6.326 10.036 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.584 -7.206 9.631 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.647 -5.453 8.452 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.855 -4.646 8.416 1.00 0.00 C ATOM 1210 C ASN A 84 -12.272 -4.424 6.961 1.00 0.00 C ATOM 1211 O ASN A 84 -12.194 -3.307 6.452 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.622 -3.276 9.055 1.00 0.00 C ATOM 1213 CG ASN A 84 -12.092 -3.262 10.511 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -13.264 -3.417 10.813 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -11.116 -3.069 11.393 1.00 0.00 N ATOM 0 H ASN A 84 -10.756 -6.364 8.897 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.630 -5.175 8.970 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.562 -3.025 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.155 -2.512 8.490 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.328 -3.044 12.390 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.156 -2.946 11.072 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.706 -5.506 6.331 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.136 -5.443 4.944 1.00 0.00 C ATOM 1224 C LEU A 85 -14.452 -6.207 4.788 1.00 0.00 C ATOM 1225 O LEU A 85 -14.587 -7.326 5.281 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.024 -5.937 4.017 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.601 -5.520 4.394 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.573 -6.195 3.483 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.457 -3.997 4.391 1.00 0.00 C ATOM 0 H LEU A 85 -12.769 -6.431 6.755 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.330 -4.411 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.065 -7.026 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.232 -5.577 3.009 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.403 -5.860 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.570 -5.882 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.657 -7.278 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.759 -5.907 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.436 -3.728 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.682 -3.612 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.150 -3.565 5.112 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.389 -5.572 4.100 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.690 -6.178 3.872 1.00 0.00 C ATOM 1243 C LYS A 86 -16.500 -7.603 3.349 1.00 0.00 C ATOM 1244 O LYS A 86 -15.556 -7.876 2.609 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.539 -5.295 2.955 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.797 -4.805 3.676 1.00 0.00 C ATOM 1247 CD LYS A 86 -18.501 -3.556 4.508 1.00 0.00 C ATOM 1248 CE LYS A 86 -18.545 -2.297 3.640 1.00 0.00 C ATOM 1249 NZ LYS A 86 -17.678 -1.242 4.212 1.00 0.00 N ATOM 0 H LYS A 86 -15.273 -4.644 3.693 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.244 -6.253 4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.951 -4.440 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.821 -5.856 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.576 -4.584 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.181 -5.594 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.229 -3.471 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.519 -3.648 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.219 -2.535 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.570 -1.934 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.720 -0.395 3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.007 -1.004 5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.698 -1.586 4.258 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.412 -8.474 3.754 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.357 -9.865 3.336 1.00 0.00 C ATOM 1265 C LYS A 87 -17.890 -9.985 1.907 1.00 0.00 C ATOM 1266 O LYS A 87 -18.857 -9.318 1.544 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.087 -10.757 4.342 1.00 0.00 C ATOM 1268 CG LYS A 87 -17.564 -10.525 5.761 1.00 0.00 C ATOM 1269 CD LYS A 87 -18.556 -11.047 6.803 1.00 0.00 C ATOM 1270 CE LYS A 87 -17.902 -11.143 8.183 1.00 0.00 C ATOM 1271 NZ LYS A 87 -18.418 -10.082 9.076 1.00 0.00 N ATOM 0 H LYS A 87 -18.194 -8.244 4.367 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.326 -10.218 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.157 -10.551 4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.955 -11.804 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.604 -11.026 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.391 -9.460 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.420 -10.384 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.923 -12.028 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.101 -12.122 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.820 -11.051 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.964 -10.162 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.206 -9.150 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.447 -10.188 9.182 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.235 -10.840 1.135 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.631 -11.056 -0.246 1.00 0.00 C ATOM 1287 C PHE A 88 -17.924 -9.727 -0.947 1.00 0.00 C ATOM 1288 O PHE A 88 -19.051 -9.481 -1.374 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.909 -11.896 -0.219 1.00 0.00 C ATOM 1290 CG PHE A 88 -19.307 -12.468 -1.581 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -18.357 -12.988 -2.404 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.611 -12.457 -1.969 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -18.726 -13.519 -3.668 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.980 -12.988 -3.233 1.00 0.00 C ATOM 1295 CZ PHE A 88 -20.030 -13.508 -4.056 1.00 0.00 C ATOM 0 H PHE A 88 -16.433 -11.391 1.440 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.828 -11.554 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.776 -12.718 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.727 -11.282 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.322 -12.997 -2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -21.365 -12.044 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -17.972 -13.932 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -22.015 -12.979 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 88 -20.311 -13.912 -5.017 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.889 -8.905 -1.043 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.020 -7.608 -1.684 1.00 0.00 C ATOM 1307 C ALA A 89 -15.682 -7.218 -2.315 1.00 0.00 C ATOM 1308 O ALA A 89 -14.624 -7.476 -1.744 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.505 -6.579 -0.661 1.00 0.00 C ATOM 0 H ALA A 89 -15.956 -9.112 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.761 -7.648 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.603 -5.606 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.473 -6.887 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.785 -6.509 0.154 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.773 -6.602 -3.485 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.583 -6.173 -4.199 1.00 0.00 C ATOM 1317 C GLN A 90 -13.985 -4.930 -3.537 1.00 0.00 C ATOM 1318 O GLN A 90 -14.673 -3.926 -3.359 1.00 0.00 O ATOM 1319 CB GLN A 90 -14.892 -5.913 -5.675 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.652 -5.407 -6.414 1.00 0.00 C ATOM 1321 CD GLN A 90 -13.795 -5.607 -7.925 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -14.226 -6.644 -8.402 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -13.411 -4.559 -8.648 1.00 0.00 N ATOM 0 H GLN A 90 -16.653 -6.390 -3.956 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.847 -6.975 -4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.249 -6.831 -6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.694 -5.180 -5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.500 -4.350 -6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.769 -5.936 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.059 -3.721 -8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.468 -4.593 -9.666 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.711 -5.038 -3.190 1.00 0.00 N ATOM 1333 CA TYR A 91 -12.013 -3.935 -2.552 1.00 0.00 C ATOM 1334 C TYR A 91 -10.806 -3.495 -3.383 1.00 0.00 C ATOM 1335 O TYR A 91 -9.934 -4.304 -3.694 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.522 -4.470 -1.205 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.414 -4.090 -0.022 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.227 -2.885 0.624 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.405 -4.953 0.399 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.067 -2.528 1.738 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.245 -4.596 1.513 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.035 -3.401 2.128 1.00 0.00 C ATOM 1343 OH TYR A 91 -14.828 -3.064 3.180 1.00 0.00 O ATOM 0 H TYR A 91 -12.144 -5.873 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.673 -3.074 -2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.453 -5.556 -1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.515 -4.096 -1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.451 -2.210 0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.551 -5.896 -0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.932 -1.588 2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -15.024 -5.262 1.853 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.307 -2.234 2.976 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.796 -2.213 -3.720 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.711 -1.656 -4.509 1.00 0.00 C ATOM 1355 C GLY A 92 -8.736 -0.873 -3.627 1.00 0.00 C ATOM 1356 O GLY A 92 -9.122 0.101 -2.982 1.00 0.00 O ATOM 0 H GLY A 92 -11.522 -1.545 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.180 -2.459 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.117 -1.000 -5.280 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.492 -1.329 -3.626 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.460 -0.684 -2.833 1.00 0.00 C ATOM 1362 C VAL A 93 -5.227 -0.444 -3.707 1.00 0.00 C ATOM 1363 O VAL A 93 -5.062 -1.086 -4.743 1.00 0.00 O ATOM 1364 CB VAL A 93 -6.157 -1.520 -1.588 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.405 -3.006 -1.853 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.726 -1.281 -1.102 1.00 0.00 C ATOM 0 H VAL A 93 -7.176 -2.137 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.802 0.289 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.836 -1.202 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.182 -3.578 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.448 -3.157 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.761 -3.343 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.537 -1.887 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.024 -1.558 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.597 -0.227 -0.855 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.393 0.482 -3.257 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.180 0.815 -3.985 1.00 0.00 C ATOM 1378 C VAL A 94 -1.981 0.721 -3.039 1.00 0.00 C ATOM 1379 O VAL A 94 -2.149 0.558 -1.831 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.322 2.192 -4.636 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.458 2.200 -5.660 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -3.528 3.279 -3.579 1.00 0.00 C ATOM 0 H VAL A 94 -4.533 1.012 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.012 0.104 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.394 2.410 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.537 3.191 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.251 1.465 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.396 1.950 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.626 4.248 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.433 3.066 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.672 3.298 -2.905 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.797 0.827 -3.624 1.00 0.00 N ATOM 1393 CA VAL A 95 0.430 0.757 -2.849 1.00 0.00 C ATOM 1394 C VAL A 95 1.446 1.749 -3.418 1.00 0.00 C ATOM 1395 O VAL A 95 1.572 1.885 -4.634 1.00 0.00 O ATOM 1396 CB VAL A 95 0.950 -0.682 -2.822 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.124 -0.823 -1.851 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.171 -1.664 -2.473 1.00 0.00 C ATOM 0 H VAL A 95 -0.661 0.961 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 95 0.244 1.041 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 95 1.311 -0.926 -3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.474 -1.855 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.935 -0.165 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.800 -0.550 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.225 -2.679 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.575 -1.420 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.963 -1.593 -3.219 1.00 0.00 H new ATOM 1408 N GLN A 96 2.144 2.417 -2.512 1.00 0.00 N ATOM 1409 CA GLN A 96 3.145 3.393 -2.908 1.00 0.00 C ATOM 1410 C GLN A 96 4.281 3.435 -1.884 1.00 0.00 C ATOM 1411 O GLN A 96 4.048 3.276 -0.686 1.00 0.00 O ATOM 1412 CB GLN A 96 2.519 4.777 -3.090 1.00 0.00 C ATOM 1413 CG GLN A 96 1.263 4.928 -2.231 1.00 0.00 C ATOM 1414 CD GLN A 96 0.544 6.244 -2.536 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.369 6.310 -3.342 1.00 0.00 O ATOM 1416 NE2 GLN A 96 1.007 7.285 -1.850 1.00 0.00 N ATOM 0 H GLN A 96 2.036 2.302 -1.504 1.00 0.00 H new ATOM 0 HA GLN A 96 3.560 3.089 -3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.243 5.546 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.267 4.931 -4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.590 4.091 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.534 4.894 -1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.775 7.160 -1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.594 8.208 -1.984 1.00 0.00 H new ATOM 1425 N ALA A 97 5.485 3.649 -2.392 1.00 0.00 N ATOM 1426 CA ALA A 97 6.658 3.715 -1.536 1.00 0.00 C ATOM 1427 C ALA A 97 6.893 5.165 -1.110 1.00 0.00 C ATOM 1428 O ALA A 97 7.136 6.031 -1.949 1.00 0.00 O ATOM 1429 CB ALA A 97 7.861 3.120 -2.271 1.00 0.00 C ATOM 0 H ALA A 97 5.674 3.779 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 97 6.506 3.127 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.741 3.170 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.655 2.080 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 97 8.046 3.686 -3.184 1.00 0.00 H new ATOM 1435 N PHE A 98 6.812 5.386 0.194 1.00 0.00 N ATOM 1436 CA PHE A 98 7.013 6.716 0.742 1.00 0.00 C ATOM 1437 C PHE A 98 8.287 6.774 1.588 1.00 0.00 C ATOM 1438 O PHE A 98 8.508 5.918 2.443 1.00 0.00 O ATOM 1439 CB PHE A 98 5.808 7.020 1.635 1.00 0.00 C ATOM 1440 CG PHE A 98 5.901 6.409 3.034 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.749 6.943 3.954 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.136 5.333 3.359 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.836 6.376 5.253 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.222 4.767 4.658 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.070 5.300 5.578 1.00 0.00 C ATOM 0 H PHE A 98 6.610 4.666 0.887 1.00 0.00 H new ATOM 0 HA PHE A 98 7.112 7.440 -0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.701 8.101 1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.905 6.651 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.356 7.798 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.463 4.909 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.510 6.799 5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.614 3.913 4.916 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.135 4.869 6.566 1.00 0.00 H new ATOM 1455 N ASN A 99 9.091 7.793 1.320 1.00 0.00 N ATOM 1456 CA ASN A 99 10.337 7.974 2.046 1.00 0.00 C ATOM 1457 C ASN A 99 10.358 9.368 2.674 1.00 0.00 C ATOM 1458 O ASN A 99 9.423 10.148 2.495 1.00 0.00 O ATOM 1459 CB ASN A 99 11.542 7.859 1.110 1.00 0.00 C ATOM 1460 CG ASN A 99 11.338 8.700 -0.152 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.674 9.724 -0.146 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.944 8.212 -1.230 1.00 0.00 N ATOM 0 H ASN A 99 8.904 8.501 0.610 1.00 0.00 H new ATOM 0 HA ASN A 99 10.398 7.198 2.809 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.443 8.188 1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.695 6.815 0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.869 8.700 -2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.484 7.349 -1.165 1.00 0.00 H new ATOM 1469 N ARG A 100 11.434 9.640 3.398 1.00 0.00 N ATOM 1470 CA ARG A 100 11.589 10.928 4.054 1.00 0.00 C ATOM 1471 C ARG A 100 11.718 12.042 3.013 1.00 0.00 C ATOM 1472 O ARG A 100 11.483 13.210 3.317 1.00 0.00 O ATOM 1473 CB ARG A 100 12.823 10.940 4.959 1.00 0.00 C ATOM 1474 CG ARG A 100 14.110 10.955 4.132 1.00 0.00 C ATOM 1475 CD ARG A 100 14.793 12.321 4.206 1.00 0.00 C ATOM 1476 NE ARG A 100 15.929 12.268 5.154 1.00 0.00 N ATOM 1477 CZ ARG A 100 17.038 11.542 4.958 1.00 0.00 C ATOM 1478 NH1 ARG A 100 17.167 10.804 3.848 1.00 0.00 N ATOM 1479 NH2 ARG A 100 18.017 11.555 5.873 1.00 0.00 N ATOM 0 H ARG A 100 12.207 8.991 3.545 1.00 0.00 H new ATOM 0 HA ARG A 100 10.702 11.098 4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.794 11.815 5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.812 10.063 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.790 10.184 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.882 10.714 3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.147 12.614 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.077 13.078 4.526 1.00 0.00 H new ATOM 0 HE ARG A 100 15.863 12.819 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.421 10.795 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 100 18.011 10.251 3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.918 12.117 6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.861 11.003 5.724 1.00 0.00 H new ATOM 1493 N ALA A 101 12.091 11.640 1.806 1.00 0.00 N ATOM 1494 CA ALA A 101 12.254 12.590 0.719 1.00 0.00 C ATOM 1495 C ALA A 101 10.879 12.953 0.154 1.00 0.00 C ATOM 1496 O ALA A 101 10.739 13.949 -0.555 1.00 0.00 O ATOM 1497 CB ALA A 101 13.182 11.997 -0.343 1.00 0.00 C ATOM 0 H ALA A 101 12.285 10.670 1.558 1.00 0.00 H new ATOM 0 HA ALA A 101 12.716 13.509 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.304 12.710 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.154 11.784 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.750 11.074 -0.730 1.00 0.00 H new ATOM 1503 N GLY A 102 9.900 12.127 0.490 1.00 0.00 N ATOM 1504 CA GLY A 102 8.541 12.349 0.026 1.00 0.00 C ATOM 1505 C GLY A 102 7.853 11.024 -0.310 1.00 0.00 C ATOM 1506 O GLY A 102 8.305 9.961 0.114 1.00 0.00 O ATOM 0 H GLY A 102 10.020 11.302 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.972 12.874 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.554 12.990 -0.856 1.00 0.00 H new ATOM 1510 N THR A 103 6.772 11.130 -1.068 1.00 0.00 N ATOM 1511 CA THR A 103 6.018 9.954 -1.466 1.00 0.00 C ATOM 1512 C THR A 103 5.979 9.835 -2.990 1.00 0.00 C ATOM 1513 O THR A 103 5.995 10.843 -3.696 1.00 0.00 O ATOM 1514 CB THR A 103 4.630 10.044 -0.827 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.897 10.251 0.557 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.879 8.712 -0.867 1.00 0.00 C ATOM 0 H THR A 103 6.400 12.013 -1.417 1.00 0.00 H new ATOM 0 HA THR A 103 6.496 9.040 -1.113 1.00 0.00 H new ATOM 0 HB THR A 103 4.044 10.806 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.051 10.322 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.901 8.832 -0.401 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.751 8.397 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.449 7.957 -0.326 1.00 0.00 H new ATOM 1524 N GLY A 104 5.927 8.595 -3.454 1.00 0.00 N ATOM 1525 CA GLY A 104 5.886 8.332 -4.883 1.00 0.00 C ATOM 1526 C GLY A 104 4.465 7.990 -5.336 1.00 0.00 C ATOM 1527 O GLY A 104 3.535 7.992 -4.531 1.00 0.00 O ATOM 0 H GLY A 104 5.912 7.762 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.245 9.205 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.557 7.508 -5.124 1.00 0.00 H new ATOM 1531 N PRO A 105 4.338 7.698 -6.658 1.00 0.00 N ATOM 1532 CA PRO A 105 3.047 7.355 -7.229 1.00 0.00 C ATOM 1533 C PRO A 105 2.635 5.934 -6.840 1.00 0.00 C ATOM 1534 O PRO A 105 3.486 5.099 -6.536 1.00 0.00 O ATOM 1535 CB PRO A 105 3.218 7.535 -8.728 1.00 0.00 C ATOM 1536 CG PRO A 105 4.717 7.519 -8.981 1.00 0.00 C ATOM 1537 CD PRO A 105 5.417 7.686 -7.642 1.00 0.00 C ATOM 0 HA PRO A 105 2.241 7.987 -6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.721 6.735 -9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.775 8.474 -9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.015 6.583 -9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.998 8.323 -9.662 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.114 6.869 -7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.993 8.611 -7.609 1.00 0.00 H new ATOM 1545 N SER A 106 1.331 5.703 -6.861 1.00 0.00 N ATOM 1546 CA SER A 106 0.796 4.397 -6.515 1.00 0.00 C ATOM 1547 C SER A 106 0.878 3.461 -7.722 1.00 0.00 C ATOM 1548 O SER A 106 1.302 3.870 -8.802 1.00 0.00 O ATOM 1549 CB SER A 106 -0.649 4.505 -6.024 1.00 0.00 C ATOM 1550 OG SER A 106 -0.759 4.246 -4.628 1.00 0.00 O ATOM 0 H SER A 106 0.629 6.399 -7.112 1.00 0.00 H new ATOM 0 HA SER A 106 1.397 3.986 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.031 5.503 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.272 3.800 -6.574 1.00 0.00 H new ATOM 0 HG SER A 106 -0.824 5.095 -4.142 1.00 0.00 H new ATOM 1556 N SER A 107 0.465 2.221 -7.499 1.00 0.00 N ATOM 1557 CA SER A 107 0.486 1.224 -8.556 1.00 0.00 C ATOM 1558 C SER A 107 -0.924 1.023 -9.113 1.00 0.00 C ATOM 1559 O SER A 107 -1.903 1.451 -8.505 1.00 0.00 O ATOM 1560 CB SER A 107 1.051 -0.104 -8.048 1.00 0.00 C ATOM 1561 OG SER A 107 0.441 -0.512 -6.826 1.00 0.00 O ATOM 0 H SER A 107 0.114 1.885 -6.602 1.00 0.00 H new ATOM 0 HA SER A 107 1.137 1.583 -9.353 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.900 -0.875 -8.804 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.127 -0.008 -7.902 1.00 0.00 H new ATOM 0 HG SER A 107 -0.534 -0.482 -6.921 1.00 0.00 H new ATOM 1567 N SER A 108 -0.983 0.370 -10.265 1.00 0.00 N ATOM 1568 CA SER A 108 -2.257 0.106 -10.911 1.00 0.00 C ATOM 1569 C SER A 108 -3.274 -0.390 -9.881 1.00 0.00 C ATOM 1570 O SER A 108 -3.045 -1.398 -9.214 1.00 0.00 O ATOM 1571 CB SER A 108 -2.102 -0.917 -12.039 1.00 0.00 C ATOM 1572 OG SER A 108 -0.747 -1.041 -12.463 1.00 0.00 O ATOM 0 H SER A 108 -0.169 0.016 -10.767 1.00 0.00 H new ATOM 0 HA SER A 108 -2.617 1.037 -11.348 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.467 -1.887 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.721 -0.620 -12.885 1.00 0.00 H new ATOM 0 HG SER A 108 -0.263 -1.629 -11.845 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.375 0.341 -9.784 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.427 -0.012 -8.847 1.00 0.00 C ATOM 1580 C GLU A 109 -5.838 -1.474 -9.036 1.00 0.00 C ATOM 1581 O GLU A 109 -6.318 -1.854 -10.103 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.631 0.920 -8.997 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.639 0.700 -7.867 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.876 1.580 -8.058 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.682 2.765 -8.407 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.988 1.048 -7.850 1.00 0.00 O ATOM 0 H GLU A 109 -4.561 1.176 -10.339 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.040 0.108 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.295 1.957 -8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.113 0.745 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.935 -0.349 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.172 0.926 -6.909 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.635 -2.254 -7.984 1.00 0.00 N ATOM 1594 CA ILE A 110 -5.979 -3.665 -8.021 1.00 0.00 C ATOM 1595 C ILE A 110 -7.256 -3.896 -7.212 1.00 0.00 C ATOM 1596 O ILE A 110 -7.849 -2.949 -6.697 1.00 0.00 O ATOM 1597 CB ILE A 110 -4.795 -4.517 -7.559 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -4.064 -3.852 -6.390 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -3.853 -4.825 -8.724 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.981 -4.773 -5.826 1.00 0.00 C ATOM 0 H ILE A 110 -5.237 -1.935 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.189 -3.979 -9.043 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.181 -5.470 -7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.614 -2.917 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.778 -3.601 -5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -3.020 -5.432 -8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.395 -5.371 -9.496 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.471 -3.892 -9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.477 -4.277 -4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.438 -5.697 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.256 -5.002 -6.607 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.643 -5.160 -7.124 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.839 -5.527 -6.386 1.00 0.00 C ATOM 1614 C ASN A 111 -8.698 -6.962 -5.875 1.00 0.00 C ATOM 1615 O ASN A 111 -7.733 -7.651 -6.206 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.079 -5.464 -7.279 1.00 0.00 C ATOM 1617 CG ASN A 111 -10.631 -4.039 -7.352 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -11.458 -3.624 -6.556 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.129 -3.314 -8.348 1.00 0.00 N ATOM 0 H ASN A 111 -7.149 -5.943 -7.552 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.953 -4.825 -5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.828 -5.812 -8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.845 -6.135 -6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.434 -2.350 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.439 -3.722 -8.979 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.672 -7.371 -5.076 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.668 -8.712 -4.516 1.00 0.00 C ATOM 1628 C ALA A 112 -10.917 -8.904 -3.653 1.00 0.00 C ATOM 1629 O ALA A 112 -10.967 -8.440 -2.515 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.376 -8.933 -3.728 1.00 0.00 C ATOM 0 H ALA A 112 -10.470 -6.797 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.698 -9.459 -5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.373 -9.939 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.520 -8.815 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.313 -8.203 -2.921 1.00 0.00 H new ATOM 1636 N THR A 113 -11.896 -9.587 -4.228 1.00 0.00 N ATOM 1637 CA THR A 113 -13.141 -9.846 -3.526 1.00 0.00 C ATOM 1638 C THR A 113 -12.900 -10.778 -2.337 1.00 0.00 C ATOM 1639 O THR A 113 -12.539 -11.940 -2.518 1.00 0.00 O ATOM 1640 CB THR A 113 -14.148 -10.398 -4.537 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.430 -9.290 -5.387 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.498 -10.730 -3.897 1.00 0.00 C ATOM 0 H THR A 113 -11.852 -9.969 -5.173 1.00 0.00 H new ATOM 0 HA THR A 113 -13.553 -8.930 -3.102 1.00 0.00 H new ATOM 0 HB THR A 113 -13.738 -11.293 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 113 -15.074 -9.560 -6.074 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.176 -11.118 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.357 -11.481 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.924 -9.828 -3.457 1.00 0.00 H new ATOM 1650 N THR A 114 -13.108 -10.234 -1.147 1.00 0.00 N ATOM 1651 CA THR A 114 -12.917 -11.002 0.071 1.00 0.00 C ATOM 1652 C THR A 114 -13.643 -12.345 -0.027 1.00 0.00 C ATOM 1653 O THR A 114 -14.586 -12.491 -0.803 1.00 0.00 O ATOM 1654 CB THR A 114 -13.383 -10.144 1.249 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.615 -9.583 0.804 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.483 -8.929 1.481 1.00 0.00 C ATOM 0 H THR A 114 -13.407 -9.270 -1.001 1.00 0.00 H new ATOM 0 HA THR A 114 -11.866 -11.246 0.224 1.00 0.00 H new ATOM 0 HB THR A 114 -13.411 -10.753 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.823 -8.786 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.858 -8.355 2.328 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.467 -9.264 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.481 -8.302 0.589 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.176 -13.294 0.772 1.00 0.00 N ATOM 1665 CA LEU A 115 -13.769 -14.620 0.786 1.00 0.00 C ATOM 1666 C LEU A 115 -15.276 -14.498 1.021 1.00 0.00 C ATOM 1667 O LEU A 115 -15.770 -13.424 1.361 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.058 -15.514 1.803 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.554 -15.703 1.596 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -10.985 -16.712 2.595 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.245 -16.092 0.149 1.00 0.00 C ATOM 0 H LEU A 115 -12.393 -13.170 1.414 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.636 -15.107 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.218 -15.097 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.533 -16.495 1.788 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.061 -14.750 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.914 -16.827 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.155 -16.354 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.479 -17.674 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.169 -16.220 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.751 -17.027 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.594 -15.307 -0.521 1.00 0.00 H new