USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1017 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: B 67 GLN : amide:sc= -0.369 K(o=0.88,f=-7.8!) USER MOD Set 1.2: B 70 LYS NZ :NH3+ 172:sc= 1.25 (180deg=0) USER MOD Set 2.1: B 9 ASN : amide:sc= -0.0329 X(o=-0.033,f=-0.35) USER MOD Set 2.2: B 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 70 LYS NZ :NH3+ -118:sc= 1.62 (180deg=0.0157) USER MOD Set 3.2: B 55 GLN : amide:sc= -0.418 K(o=1.2,f=-5.1!) USER MOD Set 4.1: A 48 LYS NZ :NH3+ -175:sc= 0.364 (180deg=-0.0143) USER MOD Set 4.2: B 33 SER OG : rot 71:sc= 1.58 USER MOD Set 5.1: A 30 THR OG1 : rot 180:sc= 1.1 USER MOD Set 5.2: B 48 LYS NZ :NH3+ -152:sc= 1.12 (180deg=-0.435) USER MOD Single : A 8 SER OG : rot -104:sc= 0.146 USER MOD Single : A 9 ASN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1.3!) USER MOD Single : A 14 SER OG : rot 56:sc= 1.2 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.533 K(o=0.53,f=-4.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 0:sc= 0.207 USER MOD Single : A 35 MET CE :methyl 141:sc= -0.255 (180deg=-0.928) USER MOD Single : A 39 ASN : amide:sc= -0.0122 K(o=-0.012,f=-0.82) USER MOD Single : A 40 CYS SG : rot 170:sc= -1.74 USER MOD Single : A 42 THR OG1 : rot 78:sc= 1.09 USER MOD Single : A 43 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00928 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.081) USER MOD Single : A 60 GLN : amide:sc= -0.899 K(o=-0.9,f=-0.094) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 1.2 (180deg=0.625) USER MOD Single : A 67 GLN : amide:sc= -1.2 K(o=-1.2,f=-6.2!) USER MOD Single : A 68 SER OG : rot 73:sc= 1.24 USER MOD Single : B 8 SER OG : rot 180:sc= 0.00211 USER MOD Single : B 11 GLN : amide:sc= -0.0333 K(o=-0.033,f=-0.58) USER MOD Single : B 14 SER OG : rot 80:sc= 1.28 USER MOD Single : B 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0657) USER MOD Single : B 26 HIS : no HD1:sc= 1.07 K(o=1.1,f=-5.3!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.0868 USER MOD Single : B 35 MET CE :methyl -160:sc= -0.223 (180deg=-0.945) USER MOD Single : B 39 ASN : amide:sc= -1 X(o=-1,f=-1.2) USER MOD Single : B 40 CYS SG : rot 170:sc= -0.644 USER MOD Single : B 42 THR OG1 : rot 82:sc= 0.546 USER MOD Single : B 43 HIS : no HE2:sc= 0.48 K(o=0.48,f=-2.7!) USER MOD Single : B 51 SER OG : rot 180:sc=0.000556 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.989 K(o=-0.99,f=-0.001) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 SER OG : rot 180:sc= -0.28 USER MOD Single : B 71 SER OG : rot -86:sc= 0.342 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -2.078 19.823 -2.939 1.00 0.00 N ATOM 121 CA SER A 8 -0.789 19.896 -3.614 1.00 0.00 C ATOM 122 C SER A 8 0.249 19.008 -2.925 1.00 0.00 C ATOM 123 O SER A 8 -0.058 18.302 -1.956 1.00 0.00 O ATOM 124 CB SER A 8 -0.311 21.352 -3.670 1.00 0.00 C ATOM 125 OG SER A 8 0.848 21.494 -4.480 1.00 0.00 O ATOM 0 HA SER A 8 -0.911 19.526 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.109 21.982 -4.063 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.095 21.703 -2.661 1.00 0.00 H new ATOM 0 HG SER A 8 1.636 21.605 -3.908 1.00 0.00 H new ATOM 131 N ASN A 9 1.477 19.058 -3.439 1.00 0.00 N ATOM 132 CA ASN A 9 2.562 18.197 -2.979 1.00 0.00 C ATOM 133 C ASN A 9 2.737 18.267 -1.472 1.00 0.00 C ATOM 134 O ASN A 9 2.883 17.242 -0.827 1.00 0.00 O ATOM 135 CB ASN A 9 3.879 18.573 -3.669 1.00 0.00 C ATOM 136 CG ASN A 9 5.027 17.657 -3.270 1.00 0.00 C ATOM 137 OD1 ASN A 9 5.235 16.606 -3.873 1.00 0.00 O ATOM 138 ND2 ASN A 9 5.788 18.053 -2.261 1.00 0.00 N ATOM 0 H ASN A 9 1.746 19.698 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 9 2.294 17.174 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.744 18.532 -4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.136 19.602 -3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.577 17.480 -1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.586 18.931 -1.784 1.00 0.00 H new ATOM 145 N THR A 10 2.703 19.471 -0.916 1.00 0.00 N ATOM 146 CA THR A 10 2.922 19.663 0.511 1.00 0.00 C ATOM 147 C THR A 10 1.936 18.848 1.350 1.00 0.00 C ATOM 148 O THR A 10 2.334 18.172 2.300 1.00 0.00 O ATOM 149 CB THR A 10 2.799 21.147 0.890 1.00 0.00 C ATOM 150 OG1 THR A 10 3.580 21.941 -0.009 1.00 0.00 O ATOM 151 CG2 THR A 10 3.268 21.388 2.316 1.00 0.00 C ATOM 0 H THR A 10 2.525 20.332 -1.434 1.00 0.00 H new ATOM 0 HA THR A 10 3.933 19.315 0.724 1.00 0.00 H new ATOM 0 HB THR A 10 1.749 21.431 0.819 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.498 22.887 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.170 22.446 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.659 20.801 3.003 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.312 21.089 2.411 1.00 0.00 H new ATOM 159 N GLN A 11 0.661 18.895 0.980 1.00 0.00 N ATOM 160 CA GLN A 11 -0.382 18.211 1.736 1.00 0.00 C ATOM 161 C GLN A 11 -0.174 16.697 1.711 1.00 0.00 C ATOM 162 O GLN A 11 -0.266 16.028 2.744 1.00 0.00 O ATOM 163 CB GLN A 11 -1.763 18.576 1.179 1.00 0.00 C ATOM 164 CG GLN A 11 -2.917 17.881 1.889 1.00 0.00 C ATOM 165 CD GLN A 11 -4.259 18.527 1.601 1.00 0.00 C ATOM 166 OE1 GLN A 11 -4.344 19.730 1.354 1.00 0.00 O ATOM 167 NE2 GLN A 11 -5.322 17.738 1.641 1.00 0.00 N ATOM 0 H GLN A 11 0.324 19.400 0.160 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.325 18.539 2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.900 19.655 1.253 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.795 18.322 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.949 16.835 1.583 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.736 17.893 2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.213 16.745 1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.250 18.123 1.464 1.00 0.00 H new ATOM 176 N VAL A 12 0.128 16.166 0.537 1.00 0.00 N ATOM 177 CA VAL A 12 0.340 14.733 0.382 1.00 0.00 C ATOM 178 C VAL A 12 1.663 14.314 1.025 1.00 0.00 C ATOM 179 O VAL A 12 1.735 13.296 1.711 1.00 0.00 O ATOM 180 CB VAL A 12 0.340 14.324 -1.107 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.416 12.811 -1.256 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.891 14.872 -1.817 1.00 0.00 C ATOM 0 H VAL A 12 0.232 16.704 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.484 14.224 0.883 1.00 0.00 H new ATOM 0 HB VAL A 12 1.225 14.755 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.414 12.549 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.333 12.445 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.445 12.354 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.871 14.572 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.790 14.477 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.895 15.960 -1.751 1.00 0.00 H new ATOM 192 N GLU A 13 2.698 15.119 0.809 1.00 0.00 N ATOM 193 CA GLU A 13 4.021 14.867 1.370 1.00 0.00 C ATOM 194 C GLU A 13 3.952 14.799 2.888 1.00 0.00 C ATOM 195 O GLU A 13 4.555 13.923 3.500 1.00 0.00 O ATOM 196 CB GLU A 13 5.000 15.964 0.940 1.00 0.00 C ATOM 197 CG GLU A 13 6.408 15.781 1.479 1.00 0.00 C ATOM 198 CD GLU A 13 7.333 16.912 1.080 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.337 17.954 1.772 1.00 0.00 O ATOM 200 OE2 GLU A 13 8.064 16.761 0.081 1.00 0.00 O ATOM 0 H GLU A 13 2.644 15.964 0.240 1.00 0.00 H new ATOM 0 HA GLU A 13 4.377 13.908 0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.040 15.995 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.617 16.929 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.371 15.712 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.814 14.838 1.113 1.00 0.00 H new ATOM 207 N SER A 14 3.206 15.722 3.486 1.00 0.00 N ATOM 208 CA SER A 14 3.008 15.728 4.929 1.00 0.00 C ATOM 209 C SER A 14 2.379 14.415 5.381 1.00 0.00 C ATOM 210 O SER A 14 2.837 13.792 6.334 1.00 0.00 O ATOM 211 CB SER A 14 2.120 16.904 5.344 1.00 0.00 C ATOM 212 OG SER A 14 2.683 18.139 4.933 1.00 0.00 O ATOM 0 H SER A 14 2.728 16.476 2.992 1.00 0.00 H new ATOM 0 HA SER A 14 3.980 15.838 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.129 16.788 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.991 16.902 6.426 1.00 0.00 H new ATOM 0 HG SER A 14 2.845 18.119 3.967 1.00 0.00 H new ATOM 218 N LEU A 15 1.347 13.990 4.661 1.00 0.00 N ATOM 219 CA LEU A 15 0.645 12.755 4.975 1.00 0.00 C ATOM 220 C LEU A 15 1.589 11.556 4.878 1.00 0.00 C ATOM 221 O LEU A 15 1.653 10.728 5.791 1.00 0.00 O ATOM 222 CB LEU A 15 -0.545 12.584 4.027 1.00 0.00 C ATOM 223 CG LEU A 15 -1.507 11.453 4.380 1.00 0.00 C ATOM 224 CD1 LEU A 15 -2.095 11.672 5.764 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.615 11.356 3.342 1.00 0.00 C ATOM 0 H LEU A 15 0.977 14.488 3.851 1.00 0.00 H new ATOM 0 HA LEU A 15 0.277 12.809 6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.104 13.519 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.164 12.413 3.020 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.953 10.514 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.779 10.857 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.292 11.698 6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.636 12.618 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.293 10.545 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.168 12.295 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.180 11.159 2.362 1.00 0.00 H new ATOM 237 N ILE A 16 2.335 11.482 3.779 1.00 0.00 N ATOM 238 CA ILE A 16 3.286 10.393 3.561 1.00 0.00 C ATOM 239 C ILE A 16 4.402 10.431 4.601 1.00 0.00 C ATOM 240 O ILE A 16 4.819 9.397 5.120 1.00 0.00 O ATOM 241 CB ILE A 16 3.903 10.458 2.145 1.00 0.00 C ATOM 242 CG1 ILE A 16 2.806 10.389 1.082 1.00 0.00 C ATOM 243 CG2 ILE A 16 4.907 9.332 1.943 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.314 10.605 -0.327 1.00 0.00 C ATOM 0 H ILE A 16 2.300 12.165 3.022 1.00 0.00 H new ATOM 0 HA ILE A 16 2.733 9.459 3.659 1.00 0.00 H new ATOM 0 HB ILE A 16 4.428 11.408 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.318 9.416 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.048 11.140 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.329 9.396 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.706 9.420 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.406 8.372 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.481 10.542 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.776 11.589 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.051 9.839 -0.570 1.00 0.00 H new ATOM 256 N ALA A 17 4.878 11.628 4.909 1.00 0.00 N ATOM 257 CA ALA A 17 5.930 11.792 5.898 1.00 0.00 C ATOM 258 C ALA A 17 5.468 11.308 7.266 1.00 0.00 C ATOM 259 O ALA A 17 6.219 10.651 7.982 1.00 0.00 O ATOM 260 CB ALA A 17 6.374 13.245 5.973 1.00 0.00 C ATOM 0 H ALA A 17 4.552 12.498 4.488 1.00 0.00 H new ATOM 0 HA ALA A 17 6.781 11.185 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.162 13.347 6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.752 13.561 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.526 13.870 6.253 1.00 0.00 H new ATOM 266 N GLU A 18 4.218 11.603 7.605 1.00 0.00 N ATOM 267 CA GLU A 18 3.687 11.267 8.919 1.00 0.00 C ATOM 268 C GLU A 18 3.537 9.762 9.087 1.00 0.00 C ATOM 269 O GLU A 18 3.921 9.208 10.119 1.00 0.00 O ATOM 270 CB GLU A 18 2.346 11.964 9.157 1.00 0.00 C ATOM 271 CG GLU A 18 2.470 13.460 9.386 1.00 0.00 C ATOM 272 CD GLU A 18 1.131 14.132 9.596 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.518 13.924 10.665 1.00 0.00 O ATOM 274 OE2 GLU A 18 0.684 14.874 8.699 1.00 0.00 O ATOM 0 H GLU A 18 3.555 12.073 6.989 1.00 0.00 H new ATOM 0 HA GLU A 18 4.401 11.621 9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.698 11.789 8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.859 11.512 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.102 13.639 10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.969 13.914 8.530 1.00 0.00 H new ATOM 281 N ILE A 19 2.998 9.099 8.072 1.00 0.00 N ATOM 282 CA ILE A 19 2.813 7.654 8.128 1.00 0.00 C ATOM 283 C ILE A 19 4.163 6.936 8.168 1.00 0.00 C ATOM 284 O ILE A 19 4.292 5.878 8.783 1.00 0.00 O ATOM 285 CB ILE A 19 1.962 7.134 6.946 1.00 0.00 C ATOM 286 CG1 ILE A 19 2.618 7.479 5.606 1.00 0.00 C ATOM 287 CG2 ILE A 19 0.554 7.711 7.018 1.00 0.00 C ATOM 288 CD1 ILE A 19 1.755 7.173 4.402 1.00 0.00 C ATOM 0 H ILE A 19 2.683 9.535 7.205 1.00 0.00 H new ATOM 0 HA ILE A 19 2.270 7.434 9.047 1.00 0.00 H new ATOM 0 HB ILE A 19 1.899 6.048 7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.871 8.539 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.554 6.928 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.035 7.338 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.085 7.410 7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.604 8.799 6.970 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.290 7.445 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.523 6.108 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.829 7.745 4.463 1.00 0.00 H new ATOM 300 N LEU A 20 5.172 7.530 7.531 1.00 0.00 N ATOM 301 CA LEU A 20 6.527 6.995 7.591 1.00 0.00 C ATOM 302 C LEU A 20 7.108 7.172 8.988 1.00 0.00 C ATOM 303 O LEU A 20 7.732 6.263 9.530 1.00 0.00 O ATOM 304 CB LEU A 20 7.430 7.684 6.563 1.00 0.00 C ATOM 305 CG LEU A 20 7.126 7.359 5.099 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.037 8.162 4.183 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.287 5.869 4.838 1.00 0.00 C ATOM 0 H LEU A 20 5.075 8.377 6.971 1.00 0.00 H new ATOM 0 HA LEU A 20 6.480 5.931 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.352 8.762 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.464 7.409 6.771 1.00 0.00 H new ATOM 0 HG LEU A 20 6.092 7.633 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.811 7.922 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.877 9.227 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.077 7.913 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.067 5.657 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.311 5.569 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.599 5.312 5.474 1.00 0.00 H new ATOM 319 N VAL A 21 6.886 8.346 9.574 1.00 0.00 N ATOM 320 CA VAL A 21 7.356 8.622 10.927 1.00 0.00 C ATOM 321 C VAL A 21 6.746 7.630 11.914 1.00 0.00 C ATOM 322 O VAL A 21 7.419 7.167 12.833 1.00 0.00 O ATOM 323 CB VAL A 21 7.031 10.069 11.369 1.00 0.00 C ATOM 324 CG1 VAL A 21 7.384 10.281 12.834 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.778 11.073 10.506 1.00 0.00 C ATOM 0 H VAL A 21 6.385 9.118 9.134 1.00 0.00 H new ATOM 0 HA VAL A 21 8.440 8.510 10.922 1.00 0.00 H new ATOM 0 HB VAL A 21 5.959 10.224 11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.147 11.305 13.121 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.810 9.589 13.450 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.449 10.101 12.981 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.536 12.084 10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.851 10.908 10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.483 10.948 9.464 1.00 0.00 H new ATOM 335 N VAL A 22 5.476 7.292 11.709 1.00 0.00 N ATOM 336 CA VAL A 22 4.813 6.287 12.530 1.00 0.00 C ATOM 337 C VAL A 22 5.551 4.956 12.444 1.00 0.00 C ATOM 338 O VAL A 22 5.839 4.327 13.468 1.00 0.00 O ATOM 339 CB VAL A 22 3.341 6.090 12.114 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.710 4.944 12.887 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.555 7.370 12.335 1.00 0.00 C ATOM 0 H VAL A 22 4.887 7.699 10.982 1.00 0.00 H new ATOM 0 HA VAL A 22 4.831 6.647 13.559 1.00 0.00 H new ATOM 0 HB VAL A 22 3.316 5.841 11.053 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.672 4.824 12.577 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.258 4.024 12.685 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.747 5.161 13.954 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.518 7.216 12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.593 7.643 13.390 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.989 8.171 11.737 1.00 0.00 H new ATOM 351 N LEU A 23 5.853 4.532 11.222 1.00 0.00 N ATOM 352 CA LEU A 23 6.663 3.338 11.004 1.00 0.00 C ATOM 353 C LEU A 23 8.000 3.434 11.746 1.00 0.00 C ATOM 354 O LEU A 23 8.376 2.511 12.469 1.00 0.00 O ATOM 355 CB LEU A 23 6.909 3.125 9.508 1.00 0.00 C ATOM 356 CG LEU A 23 5.654 2.897 8.662 1.00 0.00 C ATOM 357 CD1 LEU A 23 6.022 2.773 7.193 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.912 1.655 9.132 1.00 0.00 C ATOM 0 H LEU A 23 5.549 4.997 10.367 1.00 0.00 H new ATOM 0 HA LEU A 23 6.113 2.484 11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.437 3.994 9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.571 2.268 9.384 1.00 0.00 H new ATOM 0 HG LEU A 23 4.995 3.757 8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.119 2.611 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.512 3.689 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.699 1.930 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.023 1.509 8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.563 0.786 9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.618 1.779 10.174 1.00 0.00 H new ATOM 370 N GLU A 24 8.699 4.555 11.584 1.00 0.00 N ATOM 371 CA GLU A 24 9.989 4.758 12.242 1.00 0.00 C ATOM 372 C GLU A 24 9.867 4.779 13.768 1.00 0.00 C ATOM 373 O GLU A 24 10.775 4.331 14.469 1.00 0.00 O ATOM 374 CB GLU A 24 10.656 6.050 11.769 1.00 0.00 C ATOM 375 CG GLU A 24 11.614 5.865 10.599 1.00 0.00 C ATOM 376 CD GLU A 24 10.921 5.741 9.256 1.00 0.00 C ATOM 377 OE1 GLU A 24 10.571 4.613 8.859 1.00 0.00 O ATOM 378 OE2 GLU A 24 10.764 6.780 8.573 1.00 0.00 O ATOM 0 H GLU A 24 8.395 5.337 11.003 1.00 0.00 H new ATOM 0 HA GLU A 24 10.610 3.907 11.961 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.882 6.761 11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.200 6.492 12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.301 6.711 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.215 4.972 10.771 1.00 0.00 H new ATOM 385 N LYS A 25 8.757 5.306 14.283 1.00 0.00 N ATOM 386 CA LYS A 25 8.533 5.358 15.729 1.00 0.00 C ATOM 387 C LYS A 25 8.458 3.960 16.326 1.00 0.00 C ATOM 388 O LYS A 25 8.922 3.721 17.441 1.00 0.00 O ATOM 389 CB LYS A 25 7.252 6.125 16.066 1.00 0.00 C ATOM 390 CG LYS A 25 7.378 7.631 15.907 1.00 0.00 C ATOM 391 CD LYS A 25 6.116 8.349 16.361 1.00 0.00 C ATOM 392 CE LYS A 25 6.268 9.855 16.236 1.00 0.00 C ATOM 393 NZ LYS A 25 5.069 10.585 16.720 1.00 0.00 N ATOM 0 H LYS A 25 8.001 5.702 13.724 1.00 0.00 H new ATOM 0 HA LYS A 25 9.383 5.883 16.164 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.446 5.768 15.425 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.965 5.900 17.093 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.229 7.989 16.486 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.579 7.872 14.863 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.269 8.015 15.762 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.898 8.087 17.396 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.141 10.178 16.803 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.452 10.114 15.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.220 11.609 16.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.239 10.298 16.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.907 10.360 17.722 1.00 0.00 H new ATOM 407 N HIS A 26 7.874 3.038 15.578 1.00 0.00 N ATOM 408 CA HIS A 26 7.779 1.653 16.020 1.00 0.00 C ATOM 409 C HIS A 26 9.016 0.877 15.584 1.00 0.00 C ATOM 410 O HIS A 26 9.294 -0.205 16.100 1.00 0.00 O ATOM 411 CB HIS A 26 6.518 0.985 15.460 1.00 0.00 C ATOM 412 CG HIS A 26 5.238 1.500 16.049 1.00 0.00 C ATOM 413 ND1 HIS A 26 4.615 0.911 17.130 1.00 0.00 N ATOM 414 CD2 HIS A 26 4.450 2.543 15.690 1.00 0.00 C ATOM 415 CE1 HIS A 26 3.506 1.567 17.409 1.00 0.00 C ATOM 416 NE2 HIS A 26 3.383 2.558 16.553 1.00 0.00 N ATOM 0 H HIS A 26 7.459 3.221 14.664 1.00 0.00 H new ATOM 0 HA HIS A 26 7.717 1.647 17.108 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.492 1.130 14.380 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.580 -0.089 15.636 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.628 3.232 14.878 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.816 1.331 18.205 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.617 3.231 16.534 1.00 0.00 H new ATOM 425 N LYS A 27 9.752 1.466 14.643 1.00 0.00 N ATOM 426 CA LYS A 27 10.932 0.856 14.040 1.00 0.00 C ATOM 427 C LYS A 27 10.622 -0.561 13.567 1.00 0.00 C ATOM 428 O LYS A 27 10.904 -1.549 14.252 1.00 0.00 O ATOM 429 CB LYS A 27 12.129 0.882 15.000 1.00 0.00 C ATOM 430 CG LYS A 27 13.438 0.458 14.348 1.00 0.00 C ATOM 431 CD LYS A 27 14.645 0.933 15.142 1.00 0.00 C ATOM 432 CE LYS A 27 14.708 0.300 16.522 1.00 0.00 C ATOM 433 NZ LYS A 27 15.830 0.854 17.327 1.00 0.00 N ATOM 0 H LYS A 27 9.541 2.393 14.274 1.00 0.00 H new ATOM 0 HA LYS A 27 11.210 1.447 13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.241 1.889 15.401 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.922 0.224 15.844 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.465 -0.628 14.260 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.487 0.861 13.336 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.556 0.695 14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.608 2.018 15.243 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.766 0.469 17.044 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.828 -0.779 16.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.843 0.400 18.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.730 0.670 16.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.702 1.880 17.442 1.00 0.00 H new ATOM 447 N ALA A 28 10.001 -0.641 12.402 1.00 0.00 N ATOM 448 CA ALA A 28 9.565 -1.911 11.856 1.00 0.00 C ATOM 449 C ALA A 28 10.471 -2.360 10.715 1.00 0.00 C ATOM 450 O ALA A 28 10.851 -1.554 9.859 1.00 0.00 O ATOM 451 CB ALA A 28 8.125 -1.805 11.377 1.00 0.00 C ATOM 0 H ALA A 28 9.787 0.165 11.815 1.00 0.00 H new ATOM 0 HA ALA A 28 9.624 -2.660 12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.806 -2.764 10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.482 -1.535 12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.054 -1.040 10.604 1.00 0.00 H new ATOM 457 N PRO A 29 10.845 -3.649 10.703 1.00 0.00 N ATOM 458 CA PRO A 29 11.617 -4.237 9.608 1.00 0.00 C ATOM 459 C PRO A 29 10.817 -4.264 8.310 1.00 0.00 C ATOM 460 O PRO A 29 9.598 -4.077 8.321 1.00 0.00 O ATOM 461 CB PRO A 29 11.906 -5.663 10.091 1.00 0.00 C ATOM 462 CG PRO A 29 10.857 -5.945 11.110 1.00 0.00 C ATOM 463 CD PRO A 29 10.554 -4.628 11.765 1.00 0.00 C ATOM 0 HA PRO A 29 12.519 -3.667 9.386 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.858 -6.376 9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.905 -5.739 10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.965 -6.365 10.646 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.208 -6.673 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.516 -4.570 12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.175 -4.464 12.645 1.00 0.00 H new ATOM 471 N THR A 30 11.503 -4.515 7.199 1.00 0.00 N ATOM 472 CA THR A 30 10.881 -4.479 5.879 1.00 0.00 C ATOM 473 C THR A 30 9.678 -5.419 5.812 1.00 0.00 C ATOM 474 O THR A 30 8.602 -5.033 5.352 1.00 0.00 O ATOM 475 CB THR A 30 11.894 -4.875 4.791 1.00 0.00 C ATOM 476 OG1 THR A 30 13.188 -4.358 5.133 1.00 0.00 O ATOM 477 CG2 THR A 30 11.473 -4.337 3.430 1.00 0.00 C ATOM 0 H THR A 30 12.496 -4.747 7.187 1.00 0.00 H new ATOM 0 HA THR A 30 10.542 -3.458 5.705 1.00 0.00 H new ATOM 0 HB THR A 30 11.931 -5.963 4.733 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.835 -4.611 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.207 -4.631 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.498 -4.744 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.413 -3.249 3.471 1.00 0.00 H new ATOM 485 N ASP A 31 9.869 -6.641 6.305 1.00 0.00 N ATOM 486 CA ASP A 31 8.813 -7.652 6.325 1.00 0.00 C ATOM 487 C ASP A 31 7.574 -7.132 7.042 1.00 0.00 C ATOM 488 O ASP A 31 6.447 -7.299 6.573 1.00 0.00 O ATOM 489 CB ASP A 31 9.310 -8.918 7.030 1.00 0.00 C ATOM 490 CG ASP A 31 10.540 -9.515 6.380 1.00 0.00 C ATOM 491 OD1 ASP A 31 11.661 -9.027 6.656 1.00 0.00 O ATOM 492 OD2 ASP A 31 10.403 -10.477 5.598 1.00 0.00 O ATOM 0 H ASP A 31 10.755 -6.957 6.700 1.00 0.00 H new ATOM 0 HA ASP A 31 8.551 -7.884 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.534 -8.683 8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.512 -9.661 7.035 1.00 0.00 H new ATOM 497 N LEU A 32 7.795 -6.477 8.173 1.00 0.00 N ATOM 498 CA LEU A 32 6.704 -5.987 9.001 1.00 0.00 C ATOM 499 C LEU A 32 6.040 -4.769 8.365 1.00 0.00 C ATOM 500 O LEU A 32 4.813 -4.666 8.342 1.00 0.00 O ATOM 501 CB LEU A 32 7.224 -5.642 10.401 1.00 0.00 C ATOM 502 CG LEU A 32 6.150 -5.265 11.425 1.00 0.00 C ATOM 503 CD1 LEU A 32 5.154 -6.400 11.589 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.787 -4.922 12.762 1.00 0.00 C ATOM 0 H LEU A 32 8.725 -6.272 8.539 1.00 0.00 H new ATOM 0 HA LEU A 32 5.954 -6.774 9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.783 -6.496 10.783 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.927 -4.814 10.315 1.00 0.00 H new ATOM 0 HG LEU A 32 5.618 -4.386 11.060 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.397 -6.117 12.320 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.675 -6.605 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.674 -7.294 11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.009 -4.656 13.478 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.342 -5.784 13.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.467 -4.079 12.636 1.00 0.00 H new ATOM 516 N SER A 33 6.852 -3.855 7.841 1.00 0.00 N ATOM 517 CA SER A 33 6.334 -2.639 7.223 1.00 0.00 C ATOM 518 C SER A 33 5.465 -2.958 6.003 1.00 0.00 C ATOM 519 O SER A 33 4.360 -2.434 5.871 1.00 0.00 O ATOM 520 CB SER A 33 7.484 -1.698 6.841 1.00 0.00 C ATOM 521 OG SER A 33 8.494 -2.375 6.111 1.00 0.00 O ATOM 0 H SER A 33 7.869 -3.933 7.832 1.00 0.00 H new ATOM 0 HA SER A 33 5.702 -2.135 7.955 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.096 -0.872 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.915 -1.265 7.744 1.00 0.00 H new ATOM 0 HG SER A 33 8.243 -3.316 6.002 1.00 0.00 H new ATOM 527 N LEU A 34 5.950 -3.840 5.131 1.00 0.00 N ATOM 528 CA LEU A 34 5.212 -4.205 3.925 1.00 0.00 C ATOM 529 C LEU A 34 3.919 -4.934 4.286 1.00 0.00 C ATOM 530 O LEU A 34 2.891 -4.747 3.638 1.00 0.00 O ATOM 531 CB LEU A 34 6.074 -5.082 3.013 1.00 0.00 C ATOM 532 CG LEU A 34 7.338 -4.414 2.471 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.142 -5.400 1.635 1.00 0.00 C ATOM 534 CD2 LEU A 34 6.982 -3.187 1.647 1.00 0.00 C ATOM 0 H LEU A 34 6.847 -4.313 5.237 1.00 0.00 H new ATOM 0 HA LEU A 34 4.958 -3.289 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.363 -5.977 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.466 -5.409 2.170 1.00 0.00 H new ATOM 0 HG LEU A 34 7.949 -4.096 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.039 -4.909 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.428 -6.252 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.536 -5.745 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.894 -2.725 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.351 -3.482 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.445 -2.473 2.271 1.00 0.00 H new ATOM 546 N MET A 35 3.980 -5.751 5.333 1.00 0.00 N ATOM 547 CA MET A 35 2.810 -6.480 5.814 1.00 0.00 C ATOM 548 C MET A 35 1.727 -5.507 6.272 1.00 0.00 C ATOM 549 O MET A 35 0.567 -5.615 5.870 1.00 0.00 O ATOM 550 CB MET A 35 3.201 -7.404 6.970 1.00 0.00 C ATOM 551 CG MET A 35 2.051 -8.244 7.509 1.00 0.00 C ATOM 552 SD MET A 35 1.464 -9.474 6.329 1.00 0.00 S ATOM 553 CE MET A 35 2.949 -10.452 6.100 1.00 0.00 C ATOM 0 H MET A 35 4.831 -5.926 5.867 1.00 0.00 H new ATOM 0 HA MET A 35 2.418 -7.082 4.994 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.998 -8.069 6.636 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.608 -6.801 7.782 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.372 -8.748 8.421 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.225 -7.587 7.782 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.683 -11.507 6.030 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.451 -10.142 5.183 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.618 -10.302 6.948 1.00 0.00 H new ATOM 563 N ALA A 36 2.119 -4.549 7.107 1.00 0.00 N ATOM 564 CA ALA A 36 1.190 -3.553 7.624 1.00 0.00 C ATOM 565 C ALA A 36 0.615 -2.711 6.492 1.00 0.00 C ATOM 566 O ALA A 36 -0.595 -2.493 6.421 1.00 0.00 O ATOM 567 CB ALA A 36 1.880 -2.668 8.650 1.00 0.00 C ATOM 0 H ALA A 36 3.077 -4.443 7.440 1.00 0.00 H new ATOM 0 HA ALA A 36 0.366 -4.073 8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.173 -1.929 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.239 -3.281 9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.723 -2.159 8.183 1.00 0.00 H new ATOM 573 N LEU A 37 1.490 -2.256 5.601 1.00 0.00 N ATOM 574 CA LEU A 37 1.082 -1.438 4.464 1.00 0.00 C ATOM 575 C LEU A 37 0.114 -2.191 3.554 1.00 0.00 C ATOM 576 O LEU A 37 -0.913 -1.649 3.151 1.00 0.00 O ATOM 577 CB LEU A 37 2.308 -0.978 3.665 1.00 0.00 C ATOM 578 CG LEU A 37 2.899 0.381 4.069 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.936 1.501 3.722 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.232 0.415 5.552 1.00 0.00 C ATOM 0 H LEU A 37 2.492 -2.441 5.645 1.00 0.00 H new ATOM 0 HA LEU A 37 0.565 -0.562 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.086 -1.735 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.036 -0.935 2.610 1.00 0.00 H new ATOM 0 HG LEU A 37 3.824 0.525 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.370 2.457 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.749 1.501 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.996 1.351 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.649 1.389 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.326 0.243 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.961 -0.363 5.779 1.00 0.00 H new ATOM 592 N GLY A 38 0.441 -3.441 3.248 1.00 0.00 N ATOM 593 CA GLY A 38 -0.400 -4.243 2.375 1.00 0.00 C ATOM 594 C GLY A 38 -1.804 -4.421 2.917 1.00 0.00 C ATOM 595 O GLY A 38 -2.789 -4.256 2.193 1.00 0.00 O ATOM 0 H GLY A 38 1.276 -3.916 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.451 -3.772 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.058 -5.222 2.235 1.00 0.00 H new ATOM 599 N ASN A 39 -1.897 -4.743 4.197 1.00 0.00 N ATOM 600 CA ASN A 39 -3.190 -4.926 4.841 1.00 0.00 C ATOM 601 C ASN A 39 -3.911 -3.592 4.993 1.00 0.00 C ATOM 602 O ASN A 39 -5.137 -3.539 4.991 1.00 0.00 O ATOM 603 CB ASN A 39 -3.023 -5.599 6.204 1.00 0.00 C ATOM 604 CG ASN A 39 -2.569 -7.042 6.091 1.00 0.00 C ATOM 605 OD1 ASN A 39 -2.915 -7.746 5.141 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.783 -7.490 7.059 1.00 0.00 N ATOM 0 H ASN A 39 -1.095 -4.883 4.811 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.795 -5.574 4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.298 -5.039 6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.970 -5.561 6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.441 -8.451 7.035 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.520 -6.874 7.828 1.00 0.00 H new ATOM 613 N CYS A 40 -3.142 -2.515 5.108 1.00 0.00 N ATOM 614 CA CYS A 40 -3.709 -1.179 5.224 1.00 0.00 C ATOM 615 C CYS A 40 -4.363 -0.754 3.910 1.00 0.00 C ATOM 616 O CYS A 40 -5.485 -0.244 3.905 1.00 0.00 O ATOM 617 CB CYS A 40 -2.628 -0.175 5.630 1.00 0.00 C ATOM 618 SG CYS A 40 -3.239 1.505 5.902 1.00 0.00 S ATOM 0 H CYS A 40 -2.122 -2.543 5.123 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.476 -1.198 5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.146 -0.526 6.543 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.862 -0.150 4.855 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.302 2.225 6.444 1.00 0.00 H new ATOM 624 N VAL A 41 -3.668 -0.977 2.795 1.00 0.00 N ATOM 625 CA VAL A 41 -4.210 -0.647 1.479 1.00 0.00 C ATOM 626 C VAL A 41 -5.461 -1.480 1.201 1.00 0.00 C ATOM 627 O VAL A 41 -6.470 -0.969 0.711 1.00 0.00 O ATOM 628 CB VAL A 41 -3.172 -0.876 0.354 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.736 -0.479 -1.004 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.892 -0.104 0.635 1.00 0.00 C ATOM 0 H VAL A 41 -2.732 -1.383 2.777 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.467 0.412 1.488 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.940 -1.941 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.984 -0.651 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.621 -1.078 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.007 0.577 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.177 -0.280 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.115 0.961 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.465 -0.439 1.580 1.00 0.00 H new ATOM 640 N THR A 42 -5.397 -2.760 1.550 1.00 0.00 N ATOM 641 CA THR A 42 -6.534 -3.656 1.396 1.00 0.00 C ATOM 642 C THR A 42 -7.694 -3.212 2.292 1.00 0.00 C ATOM 643 O THR A 42 -8.859 -3.250 1.891 1.00 0.00 O ATOM 644 CB THR A 42 -6.135 -5.105 1.738 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.986 -5.485 0.967 1.00 0.00 O ATOM 646 CG2 THR A 42 -7.278 -6.072 1.458 1.00 0.00 C ATOM 0 H THR A 42 -4.565 -3.201 1.943 1.00 0.00 H new ATOM 0 HA THR A 42 -6.856 -3.616 0.355 1.00 0.00 H new ATOM 0 HB THR A 42 -5.900 -5.151 2.801 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.181 -5.091 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.966 -7.086 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.143 -5.798 2.062 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.544 -6.025 0.402 1.00 0.00 H new ATOM 654 N HIS A 43 -7.353 -2.769 3.501 1.00 0.00 N ATOM 655 CA HIS A 43 -8.336 -2.257 4.456 1.00 0.00 C ATOM 656 C HIS A 43 -9.105 -1.079 3.857 1.00 0.00 C ATOM 657 O HIS A 43 -10.292 -0.902 4.122 1.00 0.00 O ATOM 658 CB HIS A 43 -7.628 -1.835 5.754 1.00 0.00 C ATOM 659 CG HIS A 43 -8.539 -1.363 6.853 1.00 0.00 C ATOM 660 ND1 HIS A 43 -8.904 -2.153 7.926 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.143 -0.164 7.055 1.00 0.00 C ATOM 662 CE1 HIS A 43 -9.689 -1.463 8.732 1.00 0.00 C ATOM 663 NE2 HIS A 43 -9.848 -0.256 8.227 1.00 0.00 N ATOM 0 H HIS A 43 -6.393 -2.754 3.845 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.052 -3.047 4.684 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.046 -2.679 6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.921 -1.038 5.522 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.080 0.701 6.412 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.127 -1.826 9.650 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.406 0.490 8.642 1.00 0.00 H new ATOM 672 N LEU A 44 -8.422 -0.276 3.051 1.00 0.00 N ATOM 673 CA LEU A 44 -9.047 0.870 2.400 1.00 0.00 C ATOM 674 C LEU A 44 -9.987 0.416 1.290 1.00 0.00 C ATOM 675 O LEU A 44 -11.110 0.902 1.184 1.00 0.00 O ATOM 676 CB LEU A 44 -7.980 1.803 1.828 1.00 0.00 C ATOM 677 CG LEU A 44 -7.033 2.425 2.857 1.00 0.00 C ATOM 678 CD1 LEU A 44 -5.935 3.209 2.160 1.00 0.00 C ATOM 679 CD2 LEU A 44 -7.803 3.323 3.814 1.00 0.00 C ATOM 0 H LEU A 44 -7.433 -0.397 2.832 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.628 1.409 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.386 1.247 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.477 2.606 1.285 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.572 1.622 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.270 3.645 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.366 2.542 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.380 4.004 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.115 3.757 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.289 4.121 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.557 2.735 4.337 1.00 0.00 H new ATOM 691 N LEU A 45 -9.522 -0.527 0.478 1.00 0.00 N ATOM 692 CA LEU A 45 -10.289 -1.018 -0.663 1.00 0.00 C ATOM 693 C LEU A 45 -11.633 -1.605 -0.244 1.00 0.00 C ATOM 694 O LEU A 45 -12.681 -1.201 -0.746 1.00 0.00 O ATOM 695 CB LEU A 45 -9.484 -2.073 -1.428 1.00 0.00 C ATOM 696 CG LEU A 45 -8.325 -1.533 -2.264 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.482 -2.676 -2.806 1.00 0.00 C ATOM 698 CD2 LEU A 45 -8.858 -0.678 -3.403 1.00 0.00 C ATOM 0 H LEU A 45 -8.610 -0.970 0.590 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.486 -0.163 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.089 -2.794 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.162 -2.617 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.693 -0.914 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.661 -2.273 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.079 -3.256 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.100 -3.319 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.024 -0.298 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.507 -1.281 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.425 0.159 -2.995 1.00 0.00 H new ATOM 710 N GLU A 46 -11.600 -2.541 0.690 1.00 0.00 N ATOM 711 CA GLU A 46 -12.795 -3.291 1.063 1.00 0.00 C ATOM 712 C GLU A 46 -13.815 -2.413 1.800 1.00 0.00 C ATOM 713 O GLU A 46 -15.001 -2.740 1.858 1.00 0.00 O ATOM 714 CB GLU A 46 -12.406 -4.482 1.946 1.00 0.00 C ATOM 715 CG GLU A 46 -13.470 -5.565 2.019 1.00 0.00 C ATOM 716 CD GLU A 46 -13.375 -6.560 0.876 1.00 0.00 C ATOM 717 OE1 GLU A 46 -12.665 -7.577 1.036 1.00 0.00 O ATOM 718 OE2 GLU A 46 -14.018 -6.337 -0.170 1.00 0.00 O ATOM 0 H GLU A 46 -10.760 -2.802 1.206 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.263 -3.646 0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.482 -4.918 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.197 -4.122 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.377 -6.096 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.456 -5.101 2.010 1.00 0.00 H new ATOM 725 N ARG A 47 -13.367 -1.298 2.366 1.00 0.00 N ATOM 726 CA ARG A 47 -14.248 -0.464 3.177 1.00 0.00 C ATOM 727 C ARG A 47 -14.633 0.840 2.475 1.00 0.00 C ATOM 728 O ARG A 47 -15.814 1.170 2.363 1.00 0.00 O ATOM 729 CB ARG A 47 -13.603 -0.151 4.529 1.00 0.00 C ATOM 730 CG ARG A 47 -13.194 -1.380 5.328 1.00 0.00 C ATOM 731 CD ARG A 47 -14.351 -2.350 5.537 1.00 0.00 C ATOM 732 NE ARG A 47 -15.501 -1.718 6.182 1.00 0.00 N ATOM 733 CZ ARG A 47 -15.816 -1.872 7.467 1.00 0.00 C ATOM 734 NH1 ARG A 47 -15.033 -2.583 8.274 1.00 0.00 N ATOM 735 NH2 ARG A 47 -16.915 -1.301 7.944 1.00 0.00 N ATOM 0 H ARG A 47 -12.411 -0.953 2.281 1.00 0.00 H new ATOM 0 HA ARG A 47 -15.162 -1.037 3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.722 0.470 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.301 0.439 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.383 -1.893 4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.806 -1.067 6.298 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.657 -2.758 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.013 -3.189 6.145 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.100 -1.121 5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.184 -3.015 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.282 -2.696 9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.512 -0.749 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.163 -1.414 8.927 1.00 0.00 H new ATOM 749 N LYS A 48 -13.637 1.578 2.003 1.00 0.00 N ATOM 750 CA LYS A 48 -13.863 2.929 1.494 1.00 0.00 C ATOM 751 C LYS A 48 -14.089 2.925 -0.021 1.00 0.00 C ATOM 752 O LYS A 48 -14.447 3.948 -0.610 1.00 0.00 O ATOM 753 CB LYS A 48 -12.674 3.830 1.865 1.00 0.00 C ATOM 754 CG LYS A 48 -12.911 5.310 1.591 1.00 0.00 C ATOM 755 CD LYS A 48 -11.723 6.177 1.990 1.00 0.00 C ATOM 756 CE LYS A 48 -11.488 6.170 3.493 1.00 0.00 C ATOM 757 NZ LYS A 48 -10.528 7.230 3.911 1.00 0.00 N ATOM 0 H LYS A 48 -12.666 1.267 1.961 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.767 3.324 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.447 3.698 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.796 3.504 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.119 5.451 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.796 5.639 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.827 5.820 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.893 7.200 1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.437 6.316 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.107 5.195 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.330 7.138 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.643 7.127 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.940 8.166 3.722 1.00 0.00 H new ATOM 771 N VAL A 49 -13.890 1.774 -0.650 1.00 0.00 N ATOM 772 CA VAL A 49 -14.051 1.657 -2.095 1.00 0.00 C ATOM 773 C VAL A 49 -15.266 0.793 -2.439 1.00 0.00 C ATOM 774 O VAL A 49 -15.470 -0.272 -1.846 1.00 0.00 O ATOM 775 CB VAL A 49 -12.778 1.066 -2.749 1.00 0.00 C ATOM 776 CG1 VAL A 49 -12.933 0.944 -4.259 1.00 0.00 C ATOM 777 CG2 VAL A 49 -11.559 1.911 -2.409 1.00 0.00 C ATOM 0 H VAL A 49 -13.617 0.909 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.211 2.659 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.634 0.064 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.021 0.526 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.774 0.289 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.115 1.930 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.675 1.479 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.706 2.926 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.422 1.934 -1.328 1.00 0.00 H new ATOM 787 N PRO A 50 -16.110 1.261 -3.380 1.00 0.00 N ATOM 788 CA PRO A 50 -17.282 0.511 -3.852 1.00 0.00 C ATOM 789 C PRO A 50 -16.940 -0.920 -4.259 1.00 0.00 C ATOM 790 O PRO A 50 -15.864 -1.179 -4.805 1.00 0.00 O ATOM 791 CB PRO A 50 -17.747 1.314 -5.065 1.00 0.00 C ATOM 792 CG PRO A 50 -17.305 2.705 -4.781 1.00 0.00 C ATOM 793 CD PRO A 50 -15.999 2.575 -4.044 1.00 0.00 C ATOM 0 HA PRO A 50 -18.037 0.407 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -17.302 0.936 -5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -18.829 1.258 -5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -17.179 3.272 -5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.043 3.235 -4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.148 2.611 -4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.863 3.380 -3.322 1.00 0.00 H new ATOM 801 N SER A 51 -17.874 -1.830 -4.013 1.00 0.00 N ATOM 802 CA SER A 51 -17.666 -3.260 -4.226 1.00 0.00 C ATOM 803 C SER A 51 -17.162 -3.559 -5.638 1.00 0.00 C ATOM 804 O SER A 51 -16.218 -4.327 -5.819 1.00 0.00 O ATOM 805 CB SER A 51 -18.978 -4.002 -3.979 1.00 0.00 C ATOM 806 OG SER A 51 -19.592 -3.550 -2.782 1.00 0.00 O ATOM 0 H SER A 51 -18.802 -1.598 -3.659 1.00 0.00 H new ATOM 0 HA SER A 51 -16.902 -3.598 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.653 -3.847 -4.821 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.789 -5.074 -3.915 1.00 0.00 H new ATOM 0 HG SER A 51 -20.432 -4.035 -2.642 1.00 0.00 H new ATOM 812 N GLU A 52 -17.781 -2.929 -6.628 1.00 0.00 N ATOM 813 CA GLU A 52 -17.462 -3.185 -8.028 1.00 0.00 C ATOM 814 C GLU A 52 -16.087 -2.628 -8.381 1.00 0.00 C ATOM 815 O GLU A 52 -15.430 -3.099 -9.311 1.00 0.00 O ATOM 816 CB GLU A 52 -18.507 -2.549 -8.954 1.00 0.00 C ATOM 817 CG GLU A 52 -19.902 -2.431 -8.354 1.00 0.00 C ATOM 818 CD GLU A 52 -20.070 -1.179 -7.512 1.00 0.00 C ATOM 819 OE1 GLU A 52 -19.772 -1.227 -6.302 1.00 0.00 O ATOM 820 OE2 GLU A 52 -20.487 -0.142 -8.066 1.00 0.00 O ATOM 0 H GLU A 52 -18.512 -2.232 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.464 -4.266 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.163 -1.554 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.569 -3.138 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.640 -2.427 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.105 -3.308 -7.739 1.00 0.00 H new ATOM 827 N SER A 53 -15.650 -1.633 -7.628 1.00 0.00 N ATOM 828 CA SER A 53 -14.421 -0.929 -7.945 1.00 0.00 C ATOM 829 C SER A 53 -13.225 -1.512 -7.197 1.00 0.00 C ATOM 830 O SER A 53 -12.085 -1.248 -7.562 1.00 0.00 O ATOM 831 CB SER A 53 -14.576 0.555 -7.622 1.00 0.00 C ATOM 832 OG SER A 53 -15.704 1.098 -8.290 1.00 0.00 O ATOM 0 H SER A 53 -16.129 -1.295 -6.793 1.00 0.00 H new ATOM 0 HA SER A 53 -14.230 -1.051 -9.011 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.685 0.689 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.676 1.093 -7.920 1.00 0.00 H new ATOM 0 HG SER A 53 -15.788 2.049 -8.070 1.00 0.00 H new ATOM 838 N ARG A 54 -13.483 -2.311 -6.163 1.00 0.00 N ATOM 839 CA ARG A 54 -12.411 -2.900 -5.359 1.00 0.00 C ATOM 840 C ARG A 54 -11.437 -3.692 -6.230 1.00 0.00 C ATOM 841 O ARG A 54 -10.226 -3.636 -6.021 1.00 0.00 O ATOM 842 CB ARG A 54 -12.988 -3.791 -4.254 1.00 0.00 C ATOM 843 CG ARG A 54 -13.795 -3.016 -3.224 1.00 0.00 C ATOM 844 CD ARG A 54 -14.439 -3.923 -2.193 1.00 0.00 C ATOM 845 NE ARG A 54 -15.488 -3.220 -1.460 1.00 0.00 N ATOM 846 CZ ARG A 54 -16.448 -3.832 -0.768 1.00 0.00 C ATOM 847 NH1 ARG A 54 -16.363 -5.131 -0.510 1.00 0.00 N ATOM 848 NH2 ARG A 54 -17.458 -3.131 -0.275 1.00 0.00 N ATOM 0 H ARG A 54 -14.424 -2.566 -5.862 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.859 -2.084 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.623 -4.554 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.172 -4.311 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.145 -2.301 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.569 -2.440 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.860 -4.799 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.682 -4.283 -1.496 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.486 -2.200 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.560 -5.665 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.101 -5.595 0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.501 -2.123 -0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.193 -3.599 0.255 1.00 0.00 H new ATOM 862 N GLN A 55 -11.962 -4.407 -7.220 1.00 0.00 N ATOM 863 CA GLN A 55 -11.114 -5.136 -8.159 1.00 0.00 C ATOM 864 C GLN A 55 -10.400 -4.174 -9.102 1.00 0.00 C ATOM 865 O GLN A 55 -9.183 -4.228 -9.246 1.00 0.00 O ATOM 866 CB GLN A 55 -11.925 -6.136 -8.987 1.00 0.00 C ATOM 867 CG GLN A 55 -12.429 -7.335 -8.206 1.00 0.00 C ATOM 868 CD GLN A 55 -13.052 -8.387 -9.113 1.00 0.00 C ATOM 869 OE1 GLN A 55 -13.966 -9.103 -8.716 1.00 0.00 O ATOM 870 NE2 GLN A 55 -12.552 -8.490 -10.336 1.00 0.00 N ATOM 0 H GLN A 55 -12.963 -4.498 -7.393 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.379 -5.682 -7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.778 -5.618 -9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.308 -6.489 -9.813 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.603 -7.779 -7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.166 -7.006 -7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.792 -7.876 -10.630 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.927 -9.183 -10.984 1.00 0.00 H new ATOM 879 N ALA A 56 -11.169 -3.292 -9.728 1.00 0.00 N ATOM 880 CA ALA A 56 -10.635 -2.377 -10.733 1.00 0.00 C ATOM 881 C ALA A 56 -9.566 -1.456 -10.155 1.00 0.00 C ATOM 882 O ALA A 56 -8.520 -1.245 -10.769 1.00 0.00 O ATOM 883 CB ALA A 56 -11.759 -1.559 -11.348 1.00 0.00 C ATOM 0 H ALA A 56 -12.169 -3.190 -9.557 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.162 -2.980 -11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.348 -0.881 -12.096 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.479 -2.227 -11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.257 -0.982 -10.569 1.00 0.00 H new ATOM 889 N VAL A 57 -9.826 -0.920 -8.971 1.00 0.00 N ATOM 890 CA VAL A 57 -8.889 -0.017 -8.323 1.00 0.00 C ATOM 891 C VAL A 57 -7.615 -0.756 -7.930 1.00 0.00 C ATOM 892 O VAL A 57 -6.522 -0.218 -8.054 1.00 0.00 O ATOM 893 CB VAL A 57 -9.507 0.660 -7.079 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.469 1.500 -6.348 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.698 1.522 -7.474 1.00 0.00 C ATOM 0 H VAL A 57 -10.679 -1.096 -8.440 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.645 0.763 -9.044 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.852 -0.124 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.927 1.967 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.645 0.862 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.090 2.273 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.119 1.990 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.373 2.294 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.456 0.900 -7.950 1.00 0.00 H new ATOM 905 N ALA A 58 -7.756 -1.997 -7.472 1.00 0.00 N ATOM 906 CA ALA A 58 -6.595 -2.811 -7.123 1.00 0.00 C ATOM 907 C ALA A 58 -5.810 -3.188 -8.377 1.00 0.00 C ATOM 908 O ALA A 58 -4.579 -3.216 -8.369 1.00 0.00 O ATOM 909 CB ALA A 58 -7.020 -4.064 -6.368 1.00 0.00 C ATOM 0 H ALA A 58 -8.655 -2.458 -7.335 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.950 -2.221 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.139 -4.655 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.537 -3.779 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.689 -4.656 -6.993 1.00 0.00 H new ATOM 915 N GLU A 59 -6.543 -3.470 -9.449 1.00 0.00 N ATOM 916 CA GLU A 59 -5.953 -3.795 -10.745 1.00 0.00 C ATOM 917 C GLU A 59 -5.147 -2.601 -11.258 1.00 0.00 C ATOM 918 O GLU A 59 -4.002 -2.742 -11.700 1.00 0.00 O ATOM 919 CB GLU A 59 -7.077 -4.161 -11.727 1.00 0.00 C ATOM 920 CG GLU A 59 -6.694 -5.177 -12.796 1.00 0.00 C ATOM 921 CD GLU A 59 -5.836 -4.596 -13.900 1.00 0.00 C ATOM 922 OE1 GLU A 59 -6.358 -3.794 -14.701 1.00 0.00 O ATOM 923 OE2 GLU A 59 -4.642 -4.951 -13.979 1.00 0.00 O ATOM 0 H GLU A 59 -7.563 -3.480 -9.445 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.277 -4.645 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.921 -4.554 -11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.420 -3.251 -12.219 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.159 -6.002 -12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.602 -5.593 -13.233 1.00 0.00 H new ATOM 930 N GLN A 60 -5.747 -1.419 -11.166 1.00 0.00 N ATOM 931 CA GLN A 60 -5.087 -0.185 -11.567 1.00 0.00 C ATOM 932 C GLN A 60 -3.937 0.144 -10.618 1.00 0.00 C ATOM 933 O GLN A 60 -2.885 0.622 -11.045 1.00 0.00 O ATOM 934 CB GLN A 60 -6.090 0.970 -11.591 1.00 0.00 C ATOM 935 CG GLN A 60 -5.501 2.272 -12.105 1.00 0.00 C ATOM 936 CD GLN A 60 -5.018 2.176 -13.539 1.00 0.00 C ATOM 937 OE1 GLN A 60 -4.052 2.836 -13.923 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.699 1.383 -14.350 1.00 0.00 N ATOM 0 H GLN A 60 -6.696 -1.291 -10.814 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.682 -0.325 -12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.938 0.692 -12.217 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.475 1.127 -10.584 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.252 3.058 -12.032 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.669 2.566 -11.466 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.494 0.852 -13.995 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.429 1.303 -15.330 1.00 0.00 H new ATOM 947 N PHE A 61 -4.148 -0.116 -9.333 1.00 0.00 N ATOM 948 CA PHE A 61 -3.132 0.118 -8.317 1.00 0.00 C ATOM 949 C PHE A 61 -1.894 -0.714 -8.616 1.00 0.00 C ATOM 950 O PHE A 61 -0.774 -0.226 -8.523 1.00 0.00 O ATOM 951 CB PHE A 61 -3.678 -0.229 -6.926 1.00 0.00 C ATOM 952 CG PHE A 61 -2.730 0.075 -5.797 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.691 1.339 -5.231 1.00 0.00 C ATOM 954 CD2 PHE A 61 -1.887 -0.907 -5.295 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.826 1.621 -4.192 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.018 -0.628 -4.256 1.00 0.00 C ATOM 957 CZ PHE A 61 -0.990 0.635 -3.702 1.00 0.00 C ATOM 0 H PHE A 61 -5.023 -0.493 -8.969 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.861 1.174 -8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.605 0.321 -6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.928 -1.290 -6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.344 2.113 -5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.910 -1.899 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.803 2.612 -3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.362 -1.398 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.316 0.853 -2.887 1.00 0.00 H new ATOM 967 N ALA A 62 -2.110 -1.970 -8.989 1.00 0.00 N ATOM 968 CA ALA A 62 -1.016 -2.860 -9.351 1.00 0.00 C ATOM 969 C ALA A 62 -0.231 -2.290 -10.527 1.00 0.00 C ATOM 970 O ALA A 62 0.999 -2.328 -10.540 1.00 0.00 O ATOM 971 CB ALA A 62 -1.549 -4.247 -9.686 1.00 0.00 C ATOM 0 H ALA A 62 -3.035 -2.395 -9.048 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.343 -2.946 -8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.719 -4.901 -9.955 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.068 -4.657 -8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.242 -4.178 -10.524 1.00 0.00 H new ATOM 977 N LYS A 63 -0.955 -1.744 -11.498 1.00 0.00 N ATOM 978 CA LYS A 63 -0.338 -1.103 -12.656 1.00 0.00 C ATOM 979 C LYS A 63 0.467 0.123 -12.237 1.00 0.00 C ATOM 980 O LYS A 63 1.638 0.256 -12.588 1.00 0.00 O ATOM 981 CB LYS A 63 -1.413 -0.697 -13.668 1.00 0.00 C ATOM 982 CG LYS A 63 -2.005 -1.864 -14.433 1.00 0.00 C ATOM 983 CD LYS A 63 -3.280 -1.466 -15.153 1.00 0.00 C ATOM 984 CE LYS A 63 -3.737 -2.551 -16.110 1.00 0.00 C ATOM 985 NZ LYS A 63 -5.148 -2.359 -16.534 1.00 0.00 N ATOM 0 H LYS A 63 -1.975 -1.732 -11.507 1.00 0.00 H new ATOM 0 HA LYS A 63 0.341 -1.819 -13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.213 -0.175 -13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.982 0.010 -14.378 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.278 -2.233 -15.156 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.215 -2.683 -13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.065 -1.268 -14.423 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.115 -0.539 -15.703 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.092 -2.555 -16.988 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.631 -3.525 -15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.350 -2.966 -17.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.783 -2.613 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.300 -1.364 -16.794 1.00 0.00 H new ATOM 999 N ALA A 64 -0.169 1.006 -11.473 1.00 0.00 N ATOM 1000 CA ALA A 64 0.464 2.243 -11.029 1.00 0.00 C ATOM 1001 C ALA A 64 1.675 1.958 -10.148 1.00 0.00 C ATOM 1002 O ALA A 64 2.724 2.587 -10.298 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.540 3.108 -10.283 1.00 0.00 C ATOM 0 H ALA A 64 -1.128 0.886 -11.147 1.00 0.00 H new ATOM 0 HA ALA A 64 0.810 2.781 -11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.056 4.028 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.373 3.351 -10.943 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.912 2.566 -9.414 1.00 0.00 H new ATOM 1009 N LEU A 65 1.523 1.001 -9.240 1.00 0.00 N ATOM 1010 CA LEU A 65 2.592 0.620 -8.326 1.00 0.00 C ATOM 1011 C LEU A 65 3.775 0.065 -9.107 1.00 0.00 C ATOM 1012 O LEU A 65 4.910 0.516 -8.942 1.00 0.00 O ATOM 1013 CB LEU A 65 2.086 -0.438 -7.342 1.00 0.00 C ATOM 1014 CG LEU A 65 2.958 -0.678 -6.111 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.840 0.483 -5.141 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.568 -1.979 -5.428 1.00 0.00 C ATOM 0 H LEU A 65 0.661 0.470 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 65 2.911 1.503 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.090 -0.147 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.979 -1.382 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 65 3.996 -0.754 -6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.468 0.295 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.165 1.401 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.802 0.588 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.199 -2.134 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.524 -1.929 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.700 -2.809 -6.123 1.00 0.00 H new ATOM 1028 N ALA A 66 3.495 -0.899 -9.976 1.00 0.00 N ATOM 1029 CA ALA A 66 4.529 -1.522 -10.787 1.00 0.00 C ATOM 1030 C ALA A 66 5.207 -0.495 -11.685 1.00 0.00 C ATOM 1031 O ALA A 66 6.434 -0.462 -11.781 1.00 0.00 O ATOM 1032 CB ALA A 66 3.943 -2.646 -11.625 1.00 0.00 C ATOM 0 H ALA A 66 2.557 -1.266 -10.136 1.00 0.00 H new ATOM 0 HA ALA A 66 5.279 -1.940 -10.115 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.731 -3.101 -12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.506 -3.399 -10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.171 -2.245 -12.282 1.00 0.00 H new ATOM 1038 N GLN A 67 4.406 0.348 -12.331 1.00 0.00 N ATOM 1039 CA GLN A 67 4.932 1.386 -13.212 1.00 0.00 C ATOM 1040 C GLN A 67 5.885 2.294 -12.449 1.00 0.00 C ATOM 1041 O GLN A 67 6.958 2.638 -12.945 1.00 0.00 O ATOM 1042 CB GLN A 67 3.792 2.211 -13.819 1.00 0.00 C ATOM 1043 CG GLN A 67 4.258 3.322 -14.751 1.00 0.00 C ATOM 1044 CD GLN A 67 4.901 2.808 -16.030 1.00 0.00 C ATOM 1045 OE1 GLN A 67 5.494 1.730 -16.060 1.00 0.00 O ATOM 1046 NE2 GLN A 67 4.794 3.587 -17.096 1.00 0.00 N ATOM 0 H GLN A 67 3.389 0.332 -12.261 1.00 0.00 H new ATOM 0 HA GLN A 67 5.478 0.902 -14.022 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.128 1.544 -14.369 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.206 2.650 -13.012 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.406 3.951 -15.009 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.972 3.954 -14.223 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.294 4.474 -17.031 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.211 3.300 -17.981 1.00 0.00 H new ATOM 1055 N SER A 68 5.496 2.655 -11.233 1.00 0.00 N ATOM 1056 CA SER A 68 6.312 3.515 -10.389 1.00 0.00 C ATOM 1057 C SER A 68 7.650 2.853 -10.068 1.00 0.00 C ATOM 1058 O SER A 68 8.691 3.502 -10.093 1.00 0.00 O ATOM 1059 CB SER A 68 5.572 3.845 -9.094 1.00 0.00 C ATOM 1060 OG SER A 68 4.357 4.530 -9.351 1.00 0.00 O ATOM 0 H SER A 68 4.616 2.363 -10.808 1.00 0.00 H new ATOM 0 HA SER A 68 6.505 4.438 -10.935 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.364 2.925 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.209 4.458 -8.456 1.00 0.00 H new ATOM 0 HG SER A 68 3.700 3.903 -9.719 1.00 0.00 H new ATOM 1066 N VAL A 69 7.613 1.556 -9.781 1.00 0.00 N ATOM 1067 CA VAL A 69 8.818 0.816 -9.425 1.00 0.00 C ATOM 1068 C VAL A 69 9.709 0.582 -10.645 1.00 0.00 C ATOM 1069 O VAL A 69 10.931 0.707 -10.563 1.00 0.00 O ATOM 1070 CB VAL A 69 8.472 -0.540 -8.774 1.00 0.00 C ATOM 1071 CG1 VAL A 69 9.729 -1.341 -8.472 1.00 0.00 C ATOM 1072 CG2 VAL A 69 7.659 -0.330 -7.508 1.00 0.00 C ATOM 0 H VAL A 69 6.761 0.995 -9.788 1.00 0.00 H new ATOM 0 HA VAL A 69 9.362 1.426 -8.703 1.00 0.00 H new ATOM 0 HB VAL A 69 7.872 -1.110 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.454 -2.291 -8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.272 -1.529 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.363 -0.778 -7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.424 -1.296 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.235 0.266 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.734 0.192 -7.752 1.00 0.00 H new ATOM 1082 N LYS A 70 9.103 0.263 -11.779 1.00 0.00 N ATOM 1083 CA LYS A 70 9.863 0.006 -12.997 1.00 0.00 C ATOM 1084 C LYS A 70 10.473 1.303 -13.531 1.00 0.00 C ATOM 1085 O LYS A 70 11.563 1.300 -14.105 1.00 0.00 O ATOM 1086 CB LYS A 70 8.974 -0.653 -14.059 1.00 0.00 C ATOM 1087 CG LYS A 70 8.329 -1.946 -13.583 1.00 0.00 C ATOM 1088 CD LYS A 70 7.443 -2.568 -14.650 1.00 0.00 C ATOM 1089 CE LYS A 70 6.550 -3.651 -14.064 1.00 0.00 C ATOM 1090 NZ LYS A 70 7.331 -4.752 -13.439 1.00 0.00 N ATOM 0 H LYS A 70 8.092 0.176 -11.883 1.00 0.00 H new ATOM 0 HA LYS A 70 10.675 -0.681 -12.758 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.193 0.047 -14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.572 -0.858 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.106 -2.655 -13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.736 -1.748 -12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.827 -1.795 -15.110 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.064 -2.993 -15.439 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.889 -3.209 -13.318 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.915 -4.060 -14.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.135 -5.643 -13.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.346 -4.536 -13.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.059 -4.847 -12.440 1.00 0.00 H new ATOM 1392 N SER B 8 3.743 -10.956 16.425 1.00 0.00 N ATOM 1393 CA SER B 8 2.457 -10.868 17.084 1.00 0.00 C ATOM 1394 C SER B 8 1.414 -10.333 16.112 1.00 0.00 C ATOM 1395 O SER B 8 1.611 -9.281 15.496 1.00 0.00 O ATOM 1396 CB SER B 8 2.552 -9.963 18.314 1.00 0.00 C ATOM 1397 OG SER B 8 1.283 -9.780 18.926 1.00 0.00 O ATOM 0 HA SER B 8 2.157 -11.864 17.411 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.245 -10.398 19.034 1.00 0.00 H new ATOM 0 HB3 SER B 8 2.960 -8.995 18.024 1.00 0.00 H new ATOM 0 HG SER B 8 1.378 -9.199 19.709 1.00 0.00 H new ATOM 1403 N ASN B 9 0.316 -11.063 15.972 1.00 0.00 N ATOM 1404 CA ASN B 9 -0.773 -10.647 15.094 1.00 0.00 C ATOM 1405 C ASN B 9 -1.337 -9.307 15.553 1.00 0.00 C ATOM 1406 O ASN B 9 -1.759 -8.488 14.739 1.00 0.00 O ATOM 1407 CB ASN B 9 -1.881 -11.713 15.051 1.00 0.00 C ATOM 1408 CG ASN B 9 -2.439 -12.048 16.423 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -1.901 -12.905 17.127 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -3.521 -11.388 16.810 1.00 0.00 N ATOM 0 H ASN B 9 0.154 -11.947 16.455 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.376 -10.533 14.085 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -2.691 -11.361 14.412 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.486 -12.621 14.594 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -3.938 -11.582 17.720 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.936 -10.686 16.198 1.00 0.00 H new ATOM 1417 N THR B 10 -1.311 -9.080 16.860 1.00 0.00 N ATOM 1418 CA THR B 10 -1.790 -7.833 17.426 1.00 0.00 C ATOM 1419 C THR B 10 -0.789 -6.707 17.174 1.00 0.00 C ATOM 1420 O THR B 10 -1.180 -5.566 16.930 1.00 0.00 O ATOM 1421 CB THR B 10 -2.051 -7.978 18.936 1.00 0.00 C ATOM 1422 OG1 THR B 10 -2.884 -9.124 19.166 1.00 0.00 O ATOM 1423 CG2 THR B 10 -2.730 -6.736 19.495 1.00 0.00 C ATOM 0 H THR B 10 -0.961 -9.748 17.547 1.00 0.00 H new ATOM 0 HA THR B 10 -2.731 -7.583 16.935 1.00 0.00 H new ATOM 0 HB THR B 10 -1.094 -8.103 19.442 1.00 0.00 H new ATOM 0 HG1 THR B 10 -3.050 -9.220 20.127 1.00 0.00 H new ATOM 0 HG21 THR B 10 -2.903 -6.865 20.563 1.00 0.00 H new ATOM 0 HG22 THR B 10 -2.091 -5.868 19.333 1.00 0.00 H new ATOM 0 HG23 THR B 10 -3.683 -6.584 18.989 1.00 0.00 H new ATOM 1431 N GLN B 11 0.500 -7.036 17.218 1.00 0.00 N ATOM 1432 CA GLN B 11 1.551 -6.067 16.917 1.00 0.00 C ATOM 1433 C GLN B 11 1.372 -5.527 15.501 1.00 0.00 C ATOM 1434 O GLN B 11 1.320 -4.314 15.289 1.00 0.00 O ATOM 1435 CB GLN B 11 2.932 -6.716 17.063 1.00 0.00 C ATOM 1436 CG GLN B 11 4.099 -5.780 16.774 1.00 0.00 C ATOM 1437 CD GLN B 11 4.194 -4.632 17.760 1.00 0.00 C ATOM 1438 OE1 GLN B 11 3.808 -4.758 18.921 1.00 0.00 O ATOM 1439 NE2 GLN B 11 4.731 -3.509 17.311 1.00 0.00 N ATOM 0 H GLN B 11 0.842 -7.966 17.459 1.00 0.00 H new ATOM 0 HA GLN B 11 1.479 -5.240 17.624 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.034 -7.102 18.077 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.992 -7.571 16.389 1.00 0.00 H new ATOM 0 HG2 GLN B 11 5.028 -6.349 16.796 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.995 -5.379 15.766 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.039 -3.443 16.341 1.00 0.00 H new ATOM 0 HE22 GLN B 11 4.837 -2.709 17.935 1.00 0.00 H new ATOM 1448 N VAL B 12 1.250 -6.440 14.543 1.00 0.00 N ATOM 1449 CA VAL B 12 1.053 -6.071 13.146 1.00 0.00 C ATOM 1450 C VAL B 12 -0.244 -5.277 12.972 1.00 0.00 C ATOM 1451 O VAL B 12 -0.271 -4.249 12.294 1.00 0.00 O ATOM 1452 CB VAL B 12 1.018 -7.317 12.230 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.896 -6.908 10.768 1.00 0.00 C ATOM 1454 CG2 VAL B 12 2.258 -8.178 12.442 1.00 0.00 C ATOM 0 H VAL B 12 1.284 -7.446 14.710 1.00 0.00 H new ATOM 0 HA VAL B 12 1.900 -5.449 12.855 1.00 0.00 H new ATOM 0 HB VAL B 12 0.141 -7.908 12.495 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.873 -7.800 10.141 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.023 -6.340 10.625 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.751 -6.291 10.490 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.213 -9.049 11.788 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.149 -7.596 12.209 1.00 0.00 H new ATOM 0 HG23 VAL B 12 2.300 -8.506 13.481 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.306 -5.754 13.612 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.618 -5.120 13.518 1.00 0.00 C ATOM 1466 C GLU B 13 -2.598 -3.705 14.099 1.00 0.00 C ATOM 1467 O GLU B 13 -3.163 -2.778 13.515 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.662 -5.982 14.236 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.061 -5.388 14.239 1.00 0.00 C ATOM 1470 CD GLU B 13 -6.094 -6.344 14.799 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.049 -6.637 16.013 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -6.953 -6.815 14.024 1.00 0.00 O ATOM 0 H GLU B 13 -1.284 -6.583 14.206 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.884 -5.037 12.464 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.696 -6.963 13.762 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.343 -6.137 15.267 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.062 -4.471 14.828 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.338 -5.113 13.221 1.00 0.00 H new ATOM 1479 N SER B 14 -1.936 -3.539 15.239 1.00 0.00 N ATOM 1480 CA SER B 14 -1.859 -2.237 15.892 1.00 0.00 C ATOM 1481 C SER B 14 -1.111 -1.231 15.021 1.00 0.00 C ATOM 1482 O SER B 14 -1.463 -0.053 14.987 1.00 0.00 O ATOM 1483 CB SER B 14 -1.182 -2.358 17.257 1.00 0.00 C ATOM 1484 OG SER B 14 -1.884 -3.266 18.089 1.00 0.00 O ATOM 0 H SER B 14 -1.446 -4.288 15.729 1.00 0.00 H new ATOM 0 HA SER B 14 -2.877 -1.875 16.037 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.154 -2.696 17.129 1.00 0.00 H new ATOM 0 HB3 SER B 14 -1.139 -1.379 17.735 1.00 0.00 H new ATOM 0 HG SER B 14 -1.636 -4.184 17.853 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.087 -1.701 14.309 1.00 0.00 N ATOM 1491 CA LEU B 15 0.658 -0.846 13.390 1.00 0.00 C ATOM 1492 C LEU B 15 -0.248 -0.327 12.283 1.00 0.00 C ATOM 1493 O LEU B 15 -0.183 0.845 11.917 1.00 0.00 O ATOM 1494 CB LEU B 15 1.850 -1.595 12.789 1.00 0.00 C ATOM 1495 CG LEU B 15 3.197 -1.323 13.462 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.154 -1.691 14.937 1.00 0.00 C ATOM 1497 CD2 LEU B 15 4.303 -2.087 12.753 1.00 0.00 C ATOM 0 H LEU B 15 0.243 -2.665 14.352 1.00 0.00 H new ATOM 0 HA LEU B 15 1.037 0.004 13.958 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.648 -2.665 12.837 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.929 -1.332 11.734 1.00 0.00 H new ATOM 0 HG LEU B 15 3.406 -0.256 13.389 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.124 -1.488 15.391 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.388 -1.099 15.438 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.919 -2.750 15.041 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.256 -1.885 13.242 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.093 -3.156 12.796 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.355 -1.769 11.712 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.110 -1.202 11.773 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.082 -0.818 10.756 1.00 0.00 C ATOM 1511 C ILE B 16 -2.985 0.294 11.287 1.00 0.00 C ATOM 1512 O ILE B 16 -3.218 1.299 10.613 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.955 -2.019 10.331 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -2.073 -3.175 9.857 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.932 -1.610 9.235 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.842 -4.448 9.577 1.00 0.00 C ATOM 0 H ILE B 16 -1.155 -2.183 12.048 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.529 -0.464 9.886 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.530 -2.352 11.195 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.546 -2.872 8.952 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.315 -3.377 10.614 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.538 -2.469 8.949 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.580 -0.815 9.604 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.377 -1.253 8.368 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -2.152 -5.224 9.245 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.347 -4.775 10.486 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.581 -4.262 8.798 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.464 0.112 12.513 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.328 1.092 13.157 1.00 0.00 C ATOM 1530 C ALA B 17 -3.623 2.436 13.302 1.00 0.00 C ATOM 1531 O ALA B 17 -4.248 3.485 13.188 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.784 0.580 14.515 1.00 0.00 C ATOM 0 H ALA B 17 -3.266 -0.711 13.083 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.204 1.240 12.525 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.429 1.322 14.986 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.336 -0.351 14.386 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -3.914 0.402 15.147 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.316 2.396 13.543 1.00 0.00 N ATOM 1539 CA GLU B 18 -1.519 3.612 13.673 1.00 0.00 C ATOM 1540 C GLU B 18 -1.591 4.440 12.395 1.00 0.00 C ATOM 1541 O GLU B 18 -1.848 5.649 12.426 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.059 3.264 13.970 1.00 0.00 C ATOM 1543 CG GLU B 18 0.166 2.584 15.308 1.00 0.00 C ATOM 1544 CD GLU B 18 0.077 3.539 16.477 1.00 0.00 C ATOM 1545 OE1 GLU B 18 -1.046 3.800 16.956 1.00 0.00 O ATOM 1546 OE2 GLU B 18 1.139 4.016 16.940 1.00 0.00 O ATOM 0 H GLU B 18 -1.785 1.532 13.653 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.926 4.195 14.499 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.315 2.614 13.179 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.533 4.178 13.937 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.572 1.792 15.436 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.147 2.109 15.308 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.382 3.771 11.269 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.362 4.441 9.978 1.00 0.00 C ATOM 1555 C ILE B 19 -2.760 4.947 9.630 1.00 0.00 C ATOM 1556 O ILE B 19 -2.916 6.022 9.047 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.854 3.506 8.856 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.161 2.505 9.415 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.207 4.327 7.749 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.600 1.456 8.416 1.00 0.00 C ATOM 0 H ILE B 19 -1.224 2.764 11.225 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.673 5.282 10.054 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.704 2.958 8.449 1.00 0.00 H new ATOM 0 HG12 ILE B 19 1.038 3.049 9.765 1.00 0.00 H new ATOM 0 HG13 ILE B 19 -0.273 2.008 10.282 1.00 0.00 H new ATOM 0 HG21 ILE B 19 0.148 3.661 6.962 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -0.939 5.020 7.335 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.634 4.888 8.156 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.318 0.784 8.886 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.267 0.885 8.083 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.065 1.942 7.558 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.775 4.173 10.012 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.166 4.577 9.826 1.00 0.00 C ATOM 1574 C LEU B 20 -5.467 5.857 10.599 1.00 0.00 C ATOM 1575 O LEU B 20 -6.155 6.746 10.097 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.124 3.464 10.270 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.645 2.544 9.158 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.451 3.335 8.138 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -5.505 1.807 8.476 1.00 0.00 C ATOM 0 H LEU B 20 -3.658 3.261 10.453 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.316 4.765 8.763 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -5.617 2.850 11.015 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -6.979 3.924 10.765 1.00 0.00 H new ATOM 0 HG LEU B 20 -7.299 1.804 9.619 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -7.811 2.663 7.359 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -8.301 3.806 8.632 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -6.819 4.103 7.692 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.905 1.163 7.693 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.817 2.529 8.036 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.974 1.200 9.209 1.00 0.00 H new ATOM 1591 N VAL B 21 -4.940 5.945 11.820 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.095 7.138 12.644 1.00 0.00 C ATOM 1593 C VAL B 21 -4.585 8.371 11.901 1.00 0.00 C ATOM 1594 O VAL B 21 -5.254 9.404 11.863 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.346 7.001 13.993 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -4.348 8.318 14.753 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -4.970 5.904 14.844 1.00 0.00 C ATOM 0 H VAL B 21 -4.400 5.200 12.260 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.159 7.252 12.852 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.313 6.731 13.776 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -3.816 8.195 15.696 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -3.854 9.084 14.155 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -5.376 8.621 14.953 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -4.430 5.823 15.787 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.014 6.147 15.043 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -4.914 4.954 14.312 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.408 8.245 11.297 1.00 0.00 N ATOM 1608 CA VAL B 22 -2.806 9.349 10.550 1.00 0.00 C ATOM 1609 C VAL B 22 -3.713 9.807 9.409 1.00 0.00 C ATOM 1610 O VAL B 22 -3.885 11.007 9.179 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.425 8.963 9.979 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.782 10.151 9.279 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.524 8.437 11.082 1.00 0.00 C ATOM 0 H VAL B 22 -2.851 7.391 11.309 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.677 10.170 11.255 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.565 8.171 9.243 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.191 9.858 8.884 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.422 10.481 8.461 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.653 10.967 9.991 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.446 8.169 10.663 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.391 9.207 11.842 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -0.979 7.556 11.535 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.302 8.847 8.706 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.214 9.146 7.610 1.00 0.00 C ATOM 1625 C LEU B 23 -6.433 9.907 8.118 1.00 0.00 C ATOM 1626 O LEU B 23 -6.888 10.867 7.492 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.656 7.854 6.919 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.531 7.042 6.271 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -5.079 5.751 5.686 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.837 7.859 5.192 1.00 0.00 C ATOM 0 H LEU B 23 -4.163 7.851 8.877 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.688 9.772 6.889 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -6.161 7.224 7.651 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.390 8.104 6.153 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.799 6.793 7.040 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.267 5.185 5.229 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.534 5.157 6.478 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.829 5.984 4.930 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -3.040 7.266 4.743 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.560 8.137 4.425 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.413 8.760 5.634 1.00 0.00 H new ATOM 1642 N GLU B 24 -6.945 9.488 9.270 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.131 10.101 9.849 1.00 0.00 C ATOM 1644 C GLU B 24 -7.836 11.501 10.383 1.00 0.00 C ATOM 1645 O GLU B 24 -8.743 12.326 10.501 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.706 9.226 10.962 1.00 0.00 C ATOM 1647 CG GLU B 24 -9.212 7.880 10.476 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.046 7.168 11.516 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.209 7.569 11.717 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -9.548 6.211 12.142 1.00 0.00 O ATOM 0 H GLU B 24 -6.555 8.724 9.821 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.870 10.191 9.053 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -7.939 9.065 11.719 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -9.524 9.759 11.446 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.806 8.023 9.573 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -8.363 7.253 10.203 1.00 0.00 H new ATOM 1657 N LYS B 25 -6.572 11.767 10.703 1.00 0.00 N ATOM 1658 CA LYS B 25 -6.168 13.089 11.176 1.00 0.00 C ATOM 1659 C LYS B 25 -6.433 14.145 10.111 1.00 0.00 C ATOM 1660 O LYS B 25 -6.900 15.243 10.411 1.00 0.00 O ATOM 1661 CB LYS B 25 -4.682 13.115 11.549 1.00 0.00 C ATOM 1662 CG LYS B 25 -4.328 12.282 12.767 1.00 0.00 C ATOM 1663 CD LYS B 25 -2.849 12.399 13.098 1.00 0.00 C ATOM 1664 CE LYS B 25 -2.471 11.562 14.311 1.00 0.00 C ATOM 1665 NZ LYS B 25 -3.111 12.057 15.559 1.00 0.00 N ATOM 0 H LYS B 25 -5.813 11.088 10.644 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.760 13.311 12.064 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -4.100 12.759 10.699 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -4.383 14.147 11.730 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -4.922 12.609 13.620 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -4.581 11.238 12.584 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -2.258 12.081 12.239 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -2.601 13.444 13.286 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -2.764 10.526 14.141 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -1.388 11.571 14.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -2.721 11.544 16.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -2.922 13.074 15.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.138 11.899 15.509 1.00 0.00 H new ATOM 1679 N HIS B 26 -6.147 13.796 8.863 1.00 0.00 N ATOM 1680 CA HIS B 26 -6.289 14.736 7.758 1.00 0.00 C ATOM 1681 C HIS B 26 -7.597 14.511 7.008 1.00 0.00 C ATOM 1682 O HIS B 26 -7.853 15.172 6.004 1.00 0.00 O ATOM 1683 CB HIS B 26 -5.110 14.621 6.788 1.00 0.00 C ATOM 1684 CG HIS B 26 -3.813 15.143 7.333 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -3.484 16.480 7.328 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -2.752 14.502 7.878 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -2.280 16.639 7.842 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -1.812 15.454 8.181 1.00 0.00 N ATOM 0 H HIS B 26 -5.816 12.870 8.591 1.00 0.00 H new ATOM 0 HA HIS B 26 -6.300 15.740 8.183 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -4.981 13.574 6.513 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -5.352 15.163 5.874 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.662 13.439 8.043 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -1.765 17.580 7.964 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -0.900 15.274 8.600 1.00 0.00 H new ATOM 1697 N LYS B 27 -8.411 13.575 7.504 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.700 13.247 6.886 1.00 0.00 C ATOM 1699 C LYS B 27 -9.505 12.814 5.434 1.00 0.00 C ATOM 1700 O LYS B 27 -10.333 13.109 4.572 1.00 0.00 O ATOM 1701 CB LYS B 27 -10.645 14.453 6.953 1.00 0.00 C ATOM 1702 CG LYS B 27 -11.983 14.152 7.611 1.00 0.00 C ATOM 1703 CD LYS B 27 -11.827 13.879 9.097 1.00 0.00 C ATOM 1704 CE LYS B 27 -13.172 13.659 9.765 1.00 0.00 C ATOM 1705 NZ LYS B 27 -13.041 13.562 11.243 1.00 0.00 N ATOM 0 H LYS B 27 -8.198 13.027 8.338 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.145 12.419 7.439 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -10.154 15.257 7.502 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -10.823 14.819 5.942 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -12.659 14.995 7.464 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.440 13.289 7.128 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -11.199 13.000 9.243 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.317 14.718 9.571 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.843 14.480 9.512 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.625 12.746 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -13.979 13.412 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.421 12.763 11.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -12.631 14.443 11.614 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.416 12.090 5.186 1.00 0.00 N ATOM 1720 CA ALA B 28 -8.022 11.711 3.831 1.00 0.00 C ATOM 1721 C ALA B 28 -9.111 10.913 3.112 1.00 0.00 C ATOM 1722 O ALA B 28 -9.461 9.808 3.530 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.728 10.914 3.870 1.00 0.00 C ATOM 0 H ALA B 28 -7.786 11.751 5.913 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.869 12.631 3.266 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.442 10.636 2.856 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.940 11.521 4.316 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.873 10.013 4.466 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.654 11.470 2.013 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.666 10.801 1.189 1.00 0.00 C ATOM 1731 C PRO B 29 -10.094 9.586 0.464 1.00 0.00 C ATOM 1732 O PRO B 29 -8.894 9.312 0.553 1.00 0.00 O ATOM 1733 CB PRO B 29 -11.086 11.876 0.171 1.00 0.00 C ATOM 1734 CG PRO B 29 -10.559 13.162 0.709 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.332 12.806 1.494 1.00 0.00 C ATOM 0 HA PRO B 29 -11.494 10.426 1.790 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.673 11.665 -0.815 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.170 11.911 0.062 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.319 13.854 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.299 13.653 1.341 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.441 12.792 0.867 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.145 13.518 2.298 1.00 0.00 H new ATOM 1743 N THR B 30 -10.953 8.872 -0.259 1.00 0.00 N ATOM 1744 CA THR B 30 -10.565 7.653 -0.965 1.00 0.00 C ATOM 1745 C THR B 30 -9.282 7.838 -1.782 1.00 0.00 C ATOM 1746 O THR B 30 -8.305 7.112 -1.583 1.00 0.00 O ATOM 1747 CB THR B 30 -11.696 7.189 -1.901 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.944 7.205 -1.195 1.00 0.00 O ATOM 1749 CG2 THR B 30 -11.425 5.785 -2.426 1.00 0.00 C ATOM 0 H THR B 30 -11.936 9.121 -0.372 1.00 0.00 H new ATOM 0 HA THR B 30 -10.377 6.896 -0.203 1.00 0.00 H new ATOM 0 HB THR B 30 -11.743 7.872 -2.749 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.662 6.911 -1.793 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.238 5.480 -3.085 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.487 5.779 -2.981 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.356 5.090 -1.589 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.283 8.822 -2.676 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.145 9.062 -3.563 1.00 0.00 C ATOM 1759 C ASP B 31 -6.876 9.368 -2.775 1.00 0.00 C ATOM 1760 O ASP B 31 -5.822 8.791 -3.035 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.444 10.220 -4.516 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.672 9.971 -5.367 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -10.787 10.311 -4.916 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -9.534 9.436 -6.488 1.00 0.00 O ATOM 0 H ASP B 31 -10.061 9.469 -2.807 1.00 0.00 H new ATOM 0 HA ASP B 31 -7.983 8.150 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.586 11.134 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -7.584 10.383 -5.165 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.988 10.264 -1.803 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.836 10.686 -1.013 1.00 0.00 C ATOM 1771 C LEU B 32 -5.312 9.529 -0.160 1.00 0.00 C ATOM 1772 O LEU B 32 -4.105 9.410 0.057 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.208 11.885 -0.133 1.00 0.00 C ATOM 1774 CG LEU B 32 -5.034 12.589 0.566 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.986 13.027 -0.444 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.536 13.788 1.356 1.00 0.00 C ATOM 0 H LEU B 32 -7.865 10.714 -1.542 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.041 10.990 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.731 12.616 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.911 11.549 0.629 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.571 11.881 1.253 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.165 13.523 0.075 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.605 12.154 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.435 13.718 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.695 14.278 1.847 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -6.022 14.491 0.680 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.251 13.455 2.108 1.00 0.00 H new ATOM 1788 N SER B 33 -6.221 8.673 0.304 1.00 0.00 N ATOM 1789 CA SER B 33 -5.839 7.493 1.070 1.00 0.00 C ATOM 1790 C SER B 33 -4.999 6.558 0.203 1.00 0.00 C ATOM 1791 O SER B 33 -3.882 6.191 0.566 1.00 0.00 O ATOM 1792 CB SER B 33 -7.082 6.747 1.579 1.00 0.00 C ATOM 1793 OG SER B 33 -7.893 7.572 2.402 1.00 0.00 O ATOM 0 H SER B 33 -7.226 8.776 0.162 1.00 0.00 H new ATOM 0 HA SER B 33 -5.252 7.818 1.929 1.00 0.00 H new ATOM 0 HB2 SER B 33 -7.667 6.394 0.730 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.772 5.866 2.141 1.00 0.00 H new ATOM 0 HG SER B 33 -8.335 8.251 1.850 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.535 6.206 -0.961 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.874 5.269 -1.862 1.00 0.00 C ATOM 1801 C LEU B 34 -3.567 5.848 -2.395 1.00 0.00 C ATOM 1802 O LEU B 34 -2.582 5.127 -2.563 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.804 4.912 -3.024 1.00 0.00 C ATOM 1804 CG LEU B 34 -7.115 4.236 -2.616 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -8.020 4.057 -3.822 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.838 2.892 -1.957 1.00 0.00 C ATOM 0 H LEU B 34 -6.429 6.557 -1.303 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.640 4.365 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.038 5.822 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.270 4.253 -3.708 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.623 4.877 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.947 3.575 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.245 5.031 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.518 3.436 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.781 2.425 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.309 2.246 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.225 3.042 -1.068 1.00 0.00 H new ATOM 1818 N MET B 35 -3.564 7.154 -2.651 1.00 0.00 N ATOM 1819 CA MET B 35 -2.376 7.838 -3.150 1.00 0.00 C ATOM 1820 C MET B 35 -1.243 7.752 -2.135 1.00 0.00 C ATOM 1821 O MET B 35 -0.161 7.258 -2.449 1.00 0.00 O ATOM 1822 CB MET B 35 -2.694 9.305 -3.456 1.00 0.00 C ATOM 1823 CG MET B 35 -1.540 10.073 -4.078 1.00 0.00 C ATOM 1824 SD MET B 35 -1.967 11.794 -4.415 1.00 0.00 S ATOM 1825 CE MET B 35 -3.385 11.591 -5.497 1.00 0.00 C ATOM 0 H MET B 35 -4.374 7.760 -2.520 1.00 0.00 H new ATOM 0 HA MET B 35 -2.059 7.346 -4.070 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.550 9.347 -4.130 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.991 9.802 -2.532 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.680 10.038 -3.409 1.00 0.00 H new ATOM 0 HG3 MET B 35 -1.241 9.586 -5.006 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.543 12.507 -6.066 1.00 0.00 H new ATOM 0 HE2 MET B 35 -3.203 10.764 -6.184 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.271 11.378 -4.899 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.506 8.209 -0.916 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.495 8.219 0.136 1.00 0.00 C ATOM 1837 C ALA B 36 0.018 6.814 0.426 1.00 0.00 C ATOM 1838 O ALA B 36 1.225 6.595 0.525 1.00 0.00 O ATOM 1839 CB ALA B 36 -1.057 8.841 1.404 1.00 0.00 C ATOM 0 H ALA B 36 -2.413 8.578 -0.631 1.00 0.00 H new ATOM 0 HA ALA B 36 0.344 8.820 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.291 8.841 2.180 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.367 9.866 1.200 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.916 8.263 1.743 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.902 5.868 0.552 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.542 4.481 0.822 1.00 0.00 C ATOM 1847 C LEU B 37 0.277 3.894 -0.322 1.00 0.00 C ATOM 1848 O LEU B 37 1.298 3.241 -0.093 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.795 3.634 1.063 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.279 3.558 2.517 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -1.249 2.854 3.381 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.574 4.943 3.073 1.00 0.00 C ATOM 0 H LEU B 37 -1.905 6.035 0.472 1.00 0.00 H new ATOM 0 HA LEU B 37 0.070 4.466 1.724 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.604 4.033 0.451 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.599 2.621 0.711 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.205 2.984 2.532 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.607 2.808 4.409 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.090 1.843 3.007 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.309 3.405 3.348 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.915 4.856 4.105 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.668 5.549 3.040 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.350 5.418 2.473 1.00 0.00 H new ATOM 1864 N GLY B 38 -0.166 4.140 -1.548 1.00 0.00 N ATOM 1865 CA GLY B 38 0.548 3.649 -2.710 1.00 0.00 C ATOM 1866 C GLY B 38 1.945 4.219 -2.808 1.00 0.00 C ATOM 1867 O GLY B 38 2.913 3.487 -3.034 1.00 0.00 O ATOM 0 H GLY B 38 -1.010 4.673 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.604 2.561 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -0.010 3.904 -3.611 1.00 0.00 H new ATOM 1871 N ASN B 39 2.055 5.528 -2.620 1.00 0.00 N ATOM 1872 CA ASN B 39 3.349 6.196 -2.662 1.00 0.00 C ATOM 1873 C ASN B 39 4.245 5.680 -1.546 1.00 0.00 C ATOM 1874 O ASN B 39 5.444 5.491 -1.741 1.00 0.00 O ATOM 1875 CB ASN B 39 3.200 7.716 -2.530 1.00 0.00 C ATOM 1876 CG ASN B 39 2.415 8.356 -3.664 1.00 0.00 C ATOM 1877 OD1 ASN B 39 1.768 9.387 -3.477 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.470 7.765 -4.848 1.00 0.00 N ATOM 0 H ASN B 39 1.265 6.147 -2.437 1.00 0.00 H new ATOM 0 HA ASN B 39 3.801 5.975 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN B 39 2.706 7.943 -1.585 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.192 8.167 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN B 39 1.966 8.163 -5.641 1.00 0.00 H new ATOM 0 HD22 ASN B 39 3.016 6.912 -4.967 1.00 0.00 H new ATOM 1885 N CYS B 40 3.650 5.447 -0.378 1.00 0.00 N ATOM 1886 CA CYS B 40 4.387 4.945 0.773 1.00 0.00 C ATOM 1887 C CYS B 40 5.019 3.592 0.463 1.00 0.00 C ATOM 1888 O CYS B 40 6.226 3.425 0.615 1.00 0.00 O ATOM 1889 CB CYS B 40 3.468 4.832 1.993 1.00 0.00 C ATOM 1890 SG CYS B 40 4.302 4.296 3.504 1.00 0.00 S ATOM 0 H CYS B 40 2.656 5.599 -0.206 1.00 0.00 H new ATOM 0 HA CYS B 40 5.183 5.654 1.000 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.002 5.801 2.173 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.666 4.130 1.766 1.00 0.00 H new ATOM 0 HG CYS B 40 3.498 4.436 4.516 1.00 0.00 H new ATOM 1896 N VAL B 41 4.202 2.640 0.009 1.00 0.00 N ATOM 1897 CA VAL B 41 4.689 1.305 -0.338 1.00 0.00 C ATOM 1898 C VAL B 41 5.827 1.393 -1.354 1.00 0.00 C ATOM 1899 O VAL B 41 6.878 0.773 -1.182 1.00 0.00 O ATOM 1900 CB VAL B 41 3.566 0.420 -0.920 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.107 -0.951 -1.305 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.424 0.282 0.074 1.00 0.00 C ATOM 0 H VAL B 41 3.199 2.769 -0.127 1.00 0.00 H new ATOM 0 HA VAL B 41 5.051 0.850 0.584 1.00 0.00 H new ATOM 0 HB VAL B 41 3.183 0.902 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.300 -1.559 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.889 -0.836 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.520 -1.440 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.642 -0.345 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.794 -0.175 0.992 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.016 1.267 0.299 1.00 0.00 H new ATOM 1912 N THR B 42 5.617 2.186 -2.397 1.00 0.00 N ATOM 1913 CA THR B 42 6.614 2.346 -3.445 1.00 0.00 C ATOM 1914 C THR B 42 7.901 2.957 -2.884 1.00 0.00 C ATOM 1915 O THR B 42 9.006 2.549 -3.242 1.00 0.00 O ATOM 1916 CB THR B 42 6.081 3.240 -4.583 1.00 0.00 C ATOM 1917 OG1 THR B 42 4.731 2.881 -4.895 1.00 0.00 O ATOM 1918 CG2 THR B 42 6.933 3.090 -5.833 1.00 0.00 C ATOM 0 H THR B 42 4.765 2.728 -2.539 1.00 0.00 H new ATOM 0 HA THR B 42 6.831 1.355 -3.843 1.00 0.00 H new ATOM 0 HB THR B 42 6.122 4.276 -4.246 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.123 3.306 -4.254 1.00 0.00 H new ATOM 0 HG21 THR B 42 6.538 3.730 -6.622 1.00 0.00 H new ATOM 0 HG22 THR B 42 7.960 3.380 -5.610 1.00 0.00 H new ATOM 0 HG23 THR B 42 6.913 2.052 -6.164 1.00 0.00 H new ATOM 1926 N HIS B 43 7.749 3.926 -1.987 1.00 0.00 N ATOM 1927 CA HIS B 43 8.896 4.595 -1.386 1.00 0.00 C ATOM 1928 C HIS B 43 9.589 3.681 -0.377 1.00 0.00 C ATOM 1929 O HIS B 43 10.793 3.785 -0.178 1.00 0.00 O ATOM 1930 CB HIS B 43 8.476 5.914 -0.726 1.00 0.00 C ATOM 1931 CG HIS B 43 9.618 6.692 -0.133 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.640 7.238 -0.884 1.00 0.00 N ATOM 1933 CD2 HIS B 43 9.889 7.017 1.152 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.483 7.864 -0.085 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.051 7.745 1.154 1.00 0.00 N ATOM 0 H HIS B 43 6.844 4.265 -1.661 1.00 0.00 H new ATOM 0 HA HIS B 43 9.606 4.826 -2.180 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.973 6.535 -1.467 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.749 5.701 0.058 1.00 0.00 H new ATOM 0 HD1 HIS B 43 10.729 7.168 -1.898 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.299 6.752 2.017 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.376 8.386 -0.394 1.00 0.00 H new ATOM 1944 N LEU B 44 8.833 2.789 0.253 1.00 0.00 N ATOM 1945 CA LEU B 44 9.417 1.796 1.153 1.00 0.00 C ATOM 1946 C LEU B 44 10.340 0.873 0.375 1.00 0.00 C ATOM 1947 O LEU B 44 11.486 0.647 0.768 1.00 0.00 O ATOM 1948 CB LEU B 44 8.334 0.973 1.854 1.00 0.00 C ATOM 1949 CG LEU B 44 7.520 1.730 2.902 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.446 0.830 3.491 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.430 2.262 4.002 1.00 0.00 C ATOM 0 H LEU B 44 7.819 2.731 0.159 1.00 0.00 H new ATOM 0 HA LEU B 44 9.986 2.327 1.916 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.651 0.582 1.099 1.00 0.00 H new ATOM 0 HB3 LEU B 44 8.805 0.115 2.333 1.00 0.00 H new ATOM 0 HG LEU B 44 7.034 2.577 2.416 1.00 0.00 H new ATOM 0 HD11 LEU B 44 5.875 1.384 4.236 1.00 0.00 H new ATOM 0 HD12 LEU B 44 5.778 0.494 2.698 1.00 0.00 H new ATOM 0 HD13 LEU B 44 6.914 -0.034 3.962 1.00 0.00 H new ATOM 0 HD21 LEU B 44 7.834 2.799 4.740 1.00 0.00 H new ATOM 0 HD22 LEU B 44 8.942 1.430 4.485 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.167 2.939 3.569 1.00 0.00 H new ATOM 1963 N LEU B 45 9.839 0.367 -0.744 1.00 0.00 N ATOM 1964 CA LEU B 45 10.642 -0.449 -1.651 1.00 0.00 C ATOM 1965 C LEU B 45 11.859 0.329 -2.131 1.00 0.00 C ATOM 1966 O LEU B 45 12.919 -0.237 -2.377 1.00 0.00 O ATOM 1967 CB LEU B 45 9.800 -0.882 -2.855 1.00 0.00 C ATOM 1968 CG LEU B 45 8.679 -1.872 -2.546 1.00 0.00 C ATOM 1969 CD1 LEU B 45 7.794 -2.075 -3.768 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.263 -3.201 -2.091 1.00 0.00 C ATOM 0 H LEU B 45 8.876 0.507 -1.048 1.00 0.00 H new ATOM 0 HA LEU B 45 10.979 -1.334 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.362 0.007 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.461 -1.328 -3.598 1.00 0.00 H new ATOM 0 HG LEU B 45 8.068 -1.463 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.001 -2.783 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.353 -1.122 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.393 -2.465 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.454 -3.899 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.893 -3.611 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.861 -3.047 -1.193 1.00 0.00 H new ATOM 1982 N GLU B 46 11.689 1.632 -2.246 1.00 0.00 N ATOM 1983 CA GLU B 46 12.737 2.518 -2.720 1.00 0.00 C ATOM 1984 C GLU B 46 13.803 2.760 -1.647 1.00 0.00 C ATOM 1985 O GLU B 46 15.001 2.687 -1.922 1.00 0.00 O ATOM 1986 CB GLU B 46 12.102 3.843 -3.143 1.00 0.00 C ATOM 1987 CG GLU B 46 13.070 4.838 -3.749 1.00 0.00 C ATOM 1988 CD GLU B 46 12.412 6.180 -3.990 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.273 6.959 -3.027 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.003 6.449 -5.133 1.00 0.00 O ATOM 0 H GLU B 46 10.818 2.108 -2.013 1.00 0.00 H new ATOM 0 HA GLU B 46 13.236 2.050 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU B 46 11.311 3.638 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU B 46 11.629 4.299 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU B 46 13.925 4.965 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU B 46 13.454 4.446 -4.691 1.00 0.00 H new ATOM 1997 N ARG B 47 13.370 3.024 -0.420 1.00 0.00 N ATOM 1998 CA ARG B 47 14.280 3.450 0.638 1.00 0.00 C ATOM 1999 C ARG B 47 14.924 2.266 1.340 1.00 0.00 C ATOM 2000 O ARG B 47 16.018 2.387 1.889 1.00 0.00 O ATOM 2001 CB ARG B 47 13.545 4.323 1.669 1.00 0.00 C ATOM 2002 CG ARG B 47 12.389 3.618 2.373 1.00 0.00 C ATOM 2003 CD ARG B 47 12.601 3.517 3.879 1.00 0.00 C ATOM 2004 NE ARG B 47 12.554 4.822 4.538 1.00 0.00 N ATOM 2005 CZ ARG B 47 11.952 5.047 5.709 1.00 0.00 C ATOM 2006 NH1 ARG B 47 11.355 4.059 6.364 1.00 0.00 N ATOM 2007 NH2 ARG B 47 11.960 6.264 6.233 1.00 0.00 N ATOM 0 H ARG B 47 12.394 2.951 -0.132 1.00 0.00 H new ATOM 0 HA ARG B 47 15.068 4.035 0.165 1.00 0.00 H new ATOM 0 HB2 ARG B 47 14.261 4.661 2.419 1.00 0.00 H new ATOM 0 HB3 ARG B 47 13.163 5.213 1.169 1.00 0.00 H new ATOM 0 HG2 ARG B 47 11.463 4.158 2.175 1.00 0.00 H new ATOM 0 HG3 ARG B 47 12.270 2.617 1.958 1.00 0.00 H new ATOM 0 HD2 ARG B 47 11.837 2.869 4.308 1.00 0.00 H new ATOM 0 HD3 ARG B 47 13.565 3.048 4.077 1.00 0.00 H new ATOM 0 HE ARG B 47 13.009 5.609 4.075 1.00 0.00 H new ATOM 0 HH11 ARG B 47 11.353 3.117 5.974 1.00 0.00 H new ATOM 0 HH12 ARG B 47 10.898 4.242 7.257 1.00 0.00 H new ATOM 0 HH21 ARG B 47 12.425 7.028 5.742 1.00 0.00 H new ATOM 0 HH22 ARG B 47 11.501 6.437 7.127 1.00 0.00 H new ATOM 2021 N LYS B 48 14.253 1.129 1.332 1.00 0.00 N ATOM 2022 CA LYS B 48 14.724 -0.012 2.098 1.00 0.00 C ATOM 2023 C LYS B 48 15.195 -1.154 1.199 1.00 0.00 C ATOM 2024 O LYS B 48 16.217 -1.789 1.466 1.00 0.00 O ATOM 2025 CB LYS B 48 13.613 -0.500 3.028 1.00 0.00 C ATOM 2026 CG LYS B 48 14.074 -1.509 4.065 1.00 0.00 C ATOM 2027 CD LYS B 48 15.011 -0.876 5.083 1.00 0.00 C ATOM 2028 CE LYS B 48 15.443 -1.884 6.136 1.00 0.00 C ATOM 2029 NZ LYS B 48 14.279 -2.509 6.817 1.00 0.00 N ATOM 0 H LYS B 48 13.391 0.971 0.811 1.00 0.00 H new ATOM 0 HA LYS B 48 15.583 0.313 2.685 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.178 0.359 3.540 1.00 0.00 H new ATOM 0 HB3 LYS B 48 12.821 -0.948 2.427 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.208 -1.927 4.577 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.581 -2.337 3.568 1.00 0.00 H new ATOM 0 HD2 LYS B 48 15.889 -0.479 4.574 1.00 0.00 H new ATOM 0 HD3 LYS B 48 14.513 -0.034 5.565 1.00 0.00 H new ATOM 0 HE2 LYS B 48 16.049 -2.660 5.668 1.00 0.00 H new ATOM 0 HE3 LYS B 48 16.073 -1.389 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 14.551 -2.793 7.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 13.497 -1.825 6.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 13.973 -3.347 6.282 1.00 0.00 H new ATOM 2043 N VAL B 49 14.458 -1.400 0.129 1.00 0.00 N ATOM 2044 CA VAL B 49 14.696 -2.566 -0.711 1.00 0.00 C ATOM 2045 C VAL B 49 15.625 -2.230 -1.881 1.00 0.00 C ATOM 2046 O VAL B 49 15.496 -1.176 -2.508 1.00 0.00 O ATOM 2047 CB VAL B 49 13.358 -3.132 -1.246 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.573 -4.413 -2.036 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.380 -3.370 -0.103 1.00 0.00 C ATOM 0 H VAL B 49 13.688 -0.807 -0.181 1.00 0.00 H new ATOM 0 HA VAL B 49 15.183 -3.322 -0.095 1.00 0.00 H new ATOM 0 HB VAL B 49 12.932 -2.390 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.613 -4.783 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.227 -4.212 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.033 -5.164 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.446 -3.768 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL B 49 12.809 -4.084 0.600 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.184 -2.429 0.410 1.00 0.00 H new ATOM 2059 N PRO B 50 16.605 -3.105 -2.161 1.00 0.00 N ATOM 2060 CA PRO B 50 17.479 -2.971 -3.331 1.00 0.00 C ATOM 2061 C PRO B 50 16.685 -2.987 -4.637 1.00 0.00 C ATOM 2062 O PRO B 50 15.644 -3.632 -4.723 1.00 0.00 O ATOM 2063 CB PRO B 50 18.397 -4.199 -3.245 1.00 0.00 C ATOM 2064 CG PRO B 50 17.709 -5.143 -2.318 1.00 0.00 C ATOM 2065 CD PRO B 50 16.953 -4.283 -1.349 1.00 0.00 C ATOM 0 HA PRO B 50 18.022 -2.026 -3.330 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.544 -4.649 -4.227 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.383 -3.927 -2.868 1.00 0.00 H new ATOM 0 HG2 PRO B 50 17.035 -5.805 -2.862 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.429 -5.777 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.065 -4.788 -0.967 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.562 -4.014 -0.486 1.00 0.00 H new ATOM 2073 N SER B 51 17.189 -2.283 -5.644 1.00 0.00 N ATOM 2074 CA SER B 51 16.501 -2.127 -6.923 1.00 0.00 C ATOM 2075 C SER B 51 16.122 -3.471 -7.548 1.00 0.00 C ATOM 2076 O SER B 51 15.060 -3.600 -8.155 1.00 0.00 O ATOM 2077 CB SER B 51 17.390 -1.339 -7.885 1.00 0.00 C ATOM 2078 OG SER B 51 17.831 -0.129 -7.289 1.00 0.00 O ATOM 0 H SER B 51 18.088 -1.803 -5.598 1.00 0.00 H new ATOM 0 HA SER B 51 15.574 -1.586 -6.736 1.00 0.00 H new ATOM 0 HB2 SER B 51 18.251 -1.944 -8.170 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.839 -1.119 -8.799 1.00 0.00 H new ATOM 0 HG SER B 51 18.400 0.359 -7.921 1.00 0.00 H new ATOM 2084 N GLU B 52 16.984 -4.469 -7.385 1.00 0.00 N ATOM 2085 CA GLU B 52 16.748 -5.789 -7.966 1.00 0.00 C ATOM 2086 C GLU B 52 15.508 -6.458 -7.370 1.00 0.00 C ATOM 2087 O GLU B 52 14.686 -7.022 -8.093 1.00 0.00 O ATOM 2088 CB GLU B 52 17.979 -6.681 -7.777 1.00 0.00 C ATOM 2089 CG GLU B 52 18.516 -6.704 -6.354 1.00 0.00 C ATOM 2090 CD GLU B 52 19.720 -7.609 -6.200 1.00 0.00 C ATOM 2091 OE1 GLU B 52 20.778 -7.300 -6.787 1.00 0.00 O ATOM 2092 OE2 GLU B 52 19.618 -8.624 -5.481 1.00 0.00 O ATOM 0 H GLU B 52 17.852 -4.391 -6.856 1.00 0.00 H new ATOM 0 HA GLU B 52 16.567 -5.653 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU B 52 17.726 -7.699 -8.075 1.00 0.00 H new ATOM 0 HB3 GLU B 52 18.768 -6.339 -8.446 1.00 0.00 H new ATOM 0 HG2 GLU B 52 18.787 -5.691 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU B 52 17.728 -7.036 -5.678 1.00 0.00 H new ATOM 2099 N SER B 53 15.362 -6.373 -6.057 1.00 0.00 N ATOM 2100 CA SER B 53 14.230 -6.983 -5.379 1.00 0.00 C ATOM 2101 C SER B 53 13.061 -6.009 -5.314 1.00 0.00 C ATOM 2102 O SER B 53 11.930 -6.398 -5.037 1.00 0.00 O ATOM 2103 CB SER B 53 14.638 -7.418 -3.973 1.00 0.00 C ATOM 2104 OG SER B 53 15.817 -8.201 -4.014 1.00 0.00 O ATOM 0 H SER B 53 16.013 -5.888 -5.440 1.00 0.00 H new ATOM 0 HA SER B 53 13.914 -7.861 -5.942 1.00 0.00 H new ATOM 0 HB2 SER B 53 14.800 -6.540 -3.348 1.00 0.00 H new ATOM 0 HB3 SER B 53 13.831 -7.990 -3.515 1.00 0.00 H new ATOM 0 HG SER B 53 16.064 -8.469 -3.104 1.00 0.00 H new ATOM 2110 N ARG B 54 13.352 -4.743 -5.585 1.00 0.00 N ATOM 2111 CA ARG B 54 12.355 -3.680 -5.555 1.00 0.00 C ATOM 2112 C ARG B 54 11.192 -4.016 -6.483 1.00 0.00 C ATOM 2113 O ARG B 54 10.029 -3.927 -6.089 1.00 0.00 O ATOM 2114 CB ARG B 54 13.017 -2.358 -5.960 1.00 0.00 C ATOM 2115 CG ARG B 54 12.208 -1.112 -5.642 1.00 0.00 C ATOM 2116 CD ARG B 54 13.040 0.141 -5.866 1.00 0.00 C ATOM 2117 NE ARG B 54 14.199 0.198 -4.971 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.279 0.946 -5.195 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.323 1.771 -6.234 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.313 0.884 -4.364 1.00 0.00 N ATOM 0 H ARG B 54 14.289 -4.423 -5.832 1.00 0.00 H new ATOM 0 HA ARG B 54 11.956 -3.582 -4.546 1.00 0.00 H new ATOM 0 HB2 ARG B 54 13.982 -2.284 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG B 54 13.215 -2.381 -7.032 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.318 -1.080 -6.270 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.867 -1.148 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.380 0.170 -6.901 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.418 1.022 -5.710 1.00 0.00 H new ATOM 0 HE ARG B 54 14.178 -0.370 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.526 1.836 -6.868 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.153 2.340 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.280 0.264 -3.555 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.140 1.456 -4.535 1.00 0.00 H new ATOM 2134 N GLN B 55 11.512 -4.438 -7.702 1.00 0.00 N ATOM 2135 CA GLN B 55 10.488 -4.851 -8.653 1.00 0.00 C ATOM 2136 C GLN B 55 9.903 -6.204 -8.263 1.00 0.00 C ATOM 2137 O GLN B 55 8.691 -6.399 -8.318 1.00 0.00 O ATOM 2138 CB GLN B 55 11.054 -4.914 -10.075 1.00 0.00 C ATOM 2139 CG GLN B 55 10.092 -5.537 -11.078 1.00 0.00 C ATOM 2140 CD GLN B 55 10.601 -5.484 -12.504 1.00 0.00 C ATOM 2141 OE1 GLN B 55 10.311 -4.543 -13.246 1.00 0.00 O ATOM 2142 NE2 GLN B 55 11.350 -6.501 -12.901 1.00 0.00 N ATOM 0 H GLN B 55 12.468 -4.503 -8.053 1.00 0.00 H new ATOM 0 HA GLN B 55 9.693 -4.106 -8.630 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.308 -3.906 -10.403 1.00 0.00 H new ATOM 0 HB3 GLN B 55 11.980 -5.488 -10.065 1.00 0.00 H new ATOM 0 HG2 GLN B 55 9.911 -6.576 -10.802 1.00 0.00 H new ATOM 0 HG3 GLN B 55 9.134 -5.021 -11.022 1.00 0.00 H new ATOM 0 HE21 GLN B 55 11.566 -7.259 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN B 55 11.712 -6.526 -13.854 1.00 0.00 H new ATOM 2151 N ALA B 56 10.766 -7.127 -7.850 1.00 0.00 N ATOM 2152 CA ALA B 56 10.335 -8.474 -7.492 1.00 0.00 C ATOM 2153 C ALA B 56 9.264 -8.442 -6.403 1.00 0.00 C ATOM 2154 O ALA B 56 8.220 -9.088 -6.524 1.00 0.00 O ATOM 2155 CB ALA B 56 11.526 -9.307 -7.040 1.00 0.00 C ATOM 0 H ALA B 56 11.769 -6.967 -7.755 1.00 0.00 H new ATOM 0 HA ALA B 56 9.898 -8.934 -8.378 1.00 0.00 H new ATOM 0 HB1 ALA B 56 11.190 -10.310 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA B 56 12.254 -9.370 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.989 -8.839 -6.171 1.00 0.00 H new ATOM 2161 N VAL B 57 9.521 -7.673 -5.351 1.00 0.00 N ATOM 2162 CA VAL B 57 8.580 -7.549 -4.249 1.00 0.00 C ATOM 2163 C VAL B 57 7.346 -6.764 -4.683 1.00 0.00 C ATOM 2164 O VAL B 57 6.238 -7.058 -4.249 1.00 0.00 O ATOM 2165 CB VAL B 57 9.226 -6.872 -3.017 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.221 -6.730 -1.882 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.442 -7.661 -2.551 1.00 0.00 C ATOM 0 H VAL B 57 10.375 -7.126 -5.240 1.00 0.00 H new ATOM 0 HA VAL B 57 8.282 -8.558 -3.963 1.00 0.00 H new ATOM 0 HB VAL B 57 9.549 -5.874 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL B 57 8.701 -6.251 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.380 -6.121 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL B 57 7.861 -7.716 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL B 57 10.884 -7.170 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.138 -8.672 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.176 -7.706 -3.355 1.00 0.00 H new ATOM 2177 N ALA B 58 7.542 -5.782 -5.560 1.00 0.00 N ATOM 2178 CA ALA B 58 6.433 -4.981 -6.070 1.00 0.00 C ATOM 2179 C ALA B 58 5.403 -5.855 -6.775 1.00 0.00 C ATOM 2180 O ALA B 58 4.203 -5.744 -6.514 1.00 0.00 O ATOM 2181 CB ALA B 58 6.940 -3.904 -7.014 1.00 0.00 C ATOM 0 H ALA B 58 8.456 -5.523 -5.931 1.00 0.00 H new ATOM 0 HA ALA B 58 5.949 -4.502 -5.219 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.098 -3.318 -7.383 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.632 -3.250 -6.482 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.454 -4.370 -7.855 1.00 0.00 H new ATOM 2187 N GLU B 59 5.879 -6.727 -7.659 1.00 0.00 N ATOM 2188 CA GLU B 59 5.006 -7.645 -8.383 1.00 0.00 C ATOM 2189 C GLU B 59 4.244 -8.541 -7.411 1.00 0.00 C ATOM 2190 O GLU B 59 3.031 -8.730 -7.533 1.00 0.00 O ATOM 2191 CB GLU B 59 5.825 -8.516 -9.338 1.00 0.00 C ATOM 2192 CG GLU B 59 6.724 -7.731 -10.281 1.00 0.00 C ATOM 2193 CD GLU B 59 5.959 -6.907 -11.298 1.00 0.00 C ATOM 2194 OE1 GLU B 59 5.242 -7.498 -12.129 1.00 0.00 O ATOM 2195 OE2 GLU B 59 6.094 -5.668 -11.291 1.00 0.00 O ATOM 0 H GLU B 59 6.868 -6.817 -7.892 1.00 0.00 H new ATOM 0 HA GLU B 59 4.293 -7.052 -8.956 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.440 -9.199 -8.752 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.143 -9.128 -9.929 1.00 0.00 H new ATOM 0 HG2 GLU B 59 7.363 -7.070 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU B 59 7.380 -8.425 -10.807 1.00 0.00 H new ATOM 2202 N GLN B 60 4.967 -9.086 -6.436 1.00 0.00 N ATOM 2203 CA GLN B 60 4.372 -9.962 -5.432 1.00 0.00 C ATOM 2204 C GLN B 60 3.351 -9.202 -4.586 1.00 0.00 C ATOM 2205 O GLN B 60 2.265 -9.707 -4.307 1.00 0.00 O ATOM 2206 CB GLN B 60 5.462 -10.556 -4.537 1.00 0.00 C ATOM 2207 CG GLN B 60 4.941 -11.554 -3.514 1.00 0.00 C ATOM 2208 CD GLN B 60 6.041 -12.124 -2.638 1.00 0.00 C ATOM 2209 OE1 GLN B 60 5.813 -12.466 -1.478 1.00 0.00 O ATOM 2210 NE2 GLN B 60 7.241 -12.244 -3.187 1.00 0.00 N ATOM 0 H GLN B 60 5.969 -8.935 -6.320 1.00 0.00 H new ATOM 0 HA GLN B 60 3.856 -10.772 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.206 -11.048 -5.164 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.971 -9.746 -4.014 1.00 0.00 H new ATOM 0 HG2 GLN B 60 4.196 -11.067 -2.884 1.00 0.00 H new ATOM 0 HG3 GLN B 60 4.436 -12.369 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN B 60 7.392 -11.950 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.014 -12.631 -2.645 1.00 0.00 H new ATOM 2219 N PHE B 61 3.709 -7.984 -4.197 1.00 0.00 N ATOM 2220 CA PHE B 61 2.842 -7.132 -3.389 1.00 0.00 C ATOM 2221 C PHE B 61 1.548 -6.827 -4.136 1.00 0.00 C ATOM 2222 O PHE B 61 0.457 -6.895 -3.568 1.00 0.00 O ATOM 2223 CB PHE B 61 3.572 -5.830 -3.041 1.00 0.00 C ATOM 2224 CG PHE B 61 2.836 -4.946 -2.073 1.00 0.00 C ATOM 2225 CD1 PHE B 61 3.013 -5.098 -0.707 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.974 -3.960 -2.527 1.00 0.00 C ATOM 2227 CE1 PHE B 61 2.341 -4.286 0.186 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.300 -3.147 -1.639 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.484 -3.309 -0.282 1.00 0.00 C ATOM 0 H PHE B 61 4.606 -7.559 -4.432 1.00 0.00 H new ATOM 0 HA PHE B 61 2.592 -7.658 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.547 -6.076 -2.621 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.752 -5.272 -3.960 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.683 -5.859 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.828 -3.826 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.485 -4.415 1.249 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.629 -2.385 -2.006 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.958 -2.672 0.414 1.00 0.00 H new ATOM 2239 N ALA B 62 1.687 -6.503 -5.417 1.00 0.00 N ATOM 2240 CA ALA B 62 0.542 -6.215 -6.271 1.00 0.00 C ATOM 2241 C ALA B 62 -0.398 -7.417 -6.338 1.00 0.00 C ATOM 2242 O ALA B 62 -1.620 -7.274 -6.265 1.00 0.00 O ATOM 2243 CB ALA B 62 1.019 -5.830 -7.665 1.00 0.00 C ATOM 0 H ALA B 62 2.589 -6.433 -5.889 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.011 -5.378 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA B 62 0.158 -5.616 -8.298 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.652 -4.945 -7.601 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.590 -6.653 -8.095 1.00 0.00 H new ATOM 2249 N LYS B 63 0.188 -8.602 -6.461 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.584 -9.835 -6.521 1.00 0.00 C ATOM 2251 C LYS B 63 -1.227 -10.131 -5.170 1.00 0.00 C ATOM 2252 O LYS B 63 -2.373 -10.580 -5.101 1.00 0.00 O ATOM 2253 CB LYS B 63 0.313 -11.000 -6.949 1.00 0.00 C ATOM 2254 CG LYS B 63 -0.418 -12.329 -7.066 1.00 0.00 C ATOM 2255 CD LYS B 63 0.517 -13.441 -7.518 1.00 0.00 C ATOM 2256 CE LYS B 63 1.069 -13.176 -8.909 1.00 0.00 C ATOM 2257 NZ LYS B 63 1.987 -14.257 -9.351 1.00 0.00 N ATOM 0 H LYS B 63 1.198 -8.734 -6.521 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.376 -9.712 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.769 -10.761 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS B 63 1.124 -11.105 -6.229 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -0.857 -12.590 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.240 -12.232 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS B 63 1.341 -13.535 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -0.017 -14.391 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS B 63 0.245 -13.087 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS B 63 1.599 -12.224 -8.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 2.344 -14.042 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 2.787 -14.326 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.474 -15.162 -9.370 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.486 -9.863 -4.100 1.00 0.00 N ATOM 2272 CA ALA B 64 -0.968 -10.106 -2.747 1.00 0.00 C ATOM 2273 C ALA B 64 -2.243 -9.320 -2.467 1.00 0.00 C ATOM 2274 O ALA B 64 -3.214 -9.867 -1.951 1.00 0.00 O ATOM 2275 CB ALA B 64 0.105 -9.750 -1.729 1.00 0.00 C ATOM 0 H ALA B 64 0.456 -9.475 -4.146 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.199 -11.168 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.271 -9.937 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.990 -10.361 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.366 -8.696 -1.828 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.235 -8.040 -2.821 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.403 -7.185 -2.626 1.00 0.00 C ATOM 2283 C LEU B 65 -4.596 -7.697 -3.422 1.00 0.00 C ATOM 2284 O LEU B 65 -5.706 -7.793 -2.897 1.00 0.00 O ATOM 2285 CB LEU B 65 -3.089 -5.742 -3.022 1.00 0.00 C ATOM 2286 CG LEU B 65 -2.684 -4.823 -1.866 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -1.525 -5.414 -1.080 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.322 -3.446 -2.397 1.00 0.00 C ATOM 0 H LEU B 65 -1.434 -7.571 -3.244 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.659 -7.211 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -2.284 -5.751 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -3.965 -5.318 -3.513 1.00 0.00 H new ATOM 0 HG LEU B 65 -3.533 -4.728 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -1.257 -4.741 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -1.818 -6.381 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.667 -5.544 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -2.035 -2.800 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.489 -3.532 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.182 -3.017 -2.911 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.357 -8.046 -4.683 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.410 -8.574 -5.542 1.00 0.00 C ATOM 2302 C ALA B 66 -6.011 -9.839 -4.936 1.00 0.00 C ATOM 2303 O ALA B 66 -7.231 -10.005 -4.900 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.868 -8.855 -6.938 1.00 0.00 C ATOM 0 H ALA B 66 -3.444 -7.972 -5.132 1.00 0.00 H new ATOM 0 HA ALA B 66 -6.197 -7.825 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.667 -9.249 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.486 -7.931 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -4.062 -9.586 -6.875 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.146 -10.714 -4.441 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.579 -11.955 -3.813 1.00 0.00 C ATOM 2312 C GLN B 67 -6.320 -11.685 -2.507 1.00 0.00 C ATOM 2313 O GLN B 67 -7.320 -12.337 -2.212 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.380 -12.869 -3.554 1.00 0.00 C ATOM 2315 CG GLN B 67 -3.822 -13.512 -4.814 1.00 0.00 C ATOM 2316 CD GLN B 67 -4.791 -14.498 -5.437 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -4.832 -14.662 -6.656 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -5.569 -15.170 -4.602 1.00 0.00 N ATOM 0 H GLN B 67 -4.134 -10.586 -4.463 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.265 -12.452 -4.498 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.592 -12.292 -3.071 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -4.675 -13.653 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -3.582 -12.735 -5.540 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -2.890 -14.024 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -5.503 -15.004 -3.598 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -6.234 -15.854 -4.963 1.00 0.00 H new ATOM 2327 N SER B 68 -5.832 -10.712 -1.747 1.00 0.00 N ATOM 2328 CA SER B 68 -6.396 -10.387 -0.441 1.00 0.00 C ATOM 2329 C SER B 68 -7.835 -9.882 -0.567 1.00 0.00 C ATOM 2330 O SER B 68 -8.645 -10.065 0.340 1.00 0.00 O ATOM 2331 CB SER B 68 -5.519 -9.338 0.255 1.00 0.00 C ATOM 2332 OG SER B 68 -5.855 -9.205 1.627 1.00 0.00 O ATOM 0 H SER B 68 -5.039 -10.129 -2.016 1.00 0.00 H new ATOM 0 HA SER B 68 -6.416 -11.296 0.161 1.00 0.00 H new ATOM 0 HB2 SER B 68 -4.470 -9.620 0.162 1.00 0.00 H new ATOM 0 HB3 SER B 68 -5.636 -8.376 -0.244 1.00 0.00 H new ATOM 0 HG SER B 68 -5.277 -8.531 2.041 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.148 -9.246 -1.687 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.503 -8.766 -1.935 1.00 0.00 C ATOM 2340 C VAL B 69 -10.356 -9.863 -2.567 1.00 0.00 C ATOM 2341 O VAL B 69 -11.458 -10.163 -2.107 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.512 -7.531 -2.866 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.933 -7.038 -3.103 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.652 -6.416 -2.294 1.00 0.00 C ATOM 0 H VAL B 69 -7.485 -9.050 -2.437 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.919 -8.481 -0.969 1.00 0.00 H new ATOM 0 HB VAL B 69 -9.091 -7.833 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.912 -6.169 -3.761 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.520 -7.830 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.386 -6.761 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.674 -5.558 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -9.039 -6.122 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.626 -6.767 -2.187 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.819 -10.472 -3.616 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.553 -11.458 -4.401 1.00 0.00 C ATOM 2356 C LYS B 70 -10.971 -12.665 -3.558 1.00 0.00 C ATOM 2357 O LYS B 70 -12.060 -13.203 -3.743 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.698 -11.910 -5.585 1.00 0.00 C ATOM 2359 CG LYS B 70 -10.384 -12.905 -6.507 1.00 0.00 C ATOM 2360 CD LYS B 70 -9.427 -13.415 -7.569 1.00 0.00 C ATOM 2361 CE LYS B 70 -8.207 -14.068 -6.938 1.00 0.00 C ATOM 2362 NZ LYS B 70 -7.216 -14.509 -7.953 1.00 0.00 N ATOM 0 H LYS B 70 -8.869 -10.299 -3.946 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.466 -10.986 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -9.409 -11.034 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -8.780 -12.358 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -10.765 -13.743 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -11.243 -12.432 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -9.938 -14.134 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.112 -12.589 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.734 -13.364 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -8.523 -14.926 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -6.347 -14.823 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -7.612 -15.297 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -6.995 -13.717 -8.589 1.00 0.00 H new ATOM 2376 N SER B 71 -10.122 -13.074 -2.621 1.00 0.00 N ATOM 2377 CA SER B 71 -10.399 -14.249 -1.797 1.00 0.00 C ATOM 2378 C SER B 71 -11.631 -14.028 -0.923 1.00 0.00 C ATOM 2379 O SER B 71 -12.310 -14.978 -0.530 1.00 0.00 O ATOM 2380 CB SER B 71 -9.187 -14.578 -0.921 1.00 0.00 C ATOM 2381 OG SER B 71 -8.905 -13.514 -0.026 1.00 0.00 O ATOM 0 H SER B 71 -9.237 -12.611 -2.412 1.00 0.00 H new ATOM 0 HA SER B 71 -10.598 -15.089 -2.462 1.00 0.00 H new ATOM 0 HB2 SER B 71 -9.378 -15.491 -0.358 1.00 0.00 H new ATOM 0 HB3 SER B 71 -8.318 -14.768 -1.552 1.00 0.00 H new ATOM 0 HG SER B 71 -8.329 -12.857 -0.470 1.00 0.00 H new