USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 GLN : amide:sc= -0.986 K(o=-0.32,f=0.62) USER MOD Set 1.2: A 100 CYS SG : rot 22:sc= 0.661 USER MOD Set 2.1: A 92 ASN : amide:sc= -3.95 K(o=-4.2,f=-14!) USER MOD Set 2.2: A 95 ASN : amide:sc= -0.297 X(o=-4.2,f=-4.5) USER MOD Set 3.1: A 65 GLN : amide:sc= 0.342 K(o=0.093,f=-0.9) USER MOD Set 3.2: A 86 GLN : amide:sc= -0.239 K(o=0.093,f=-2.3!) USER MOD Set 3.3: A 88 THR OG1 : rot 180:sc=-0.00991 USER MOD Set 4.1: A 10 SER OG : rot -27:sc= 0.0757 USER MOD Set 4.2: A 71 TYR OH : rot -131:sc= 1.2 USER MOD Set 4.3: A 85 THR OG1 : rot -103:sc= 1.44 USER MOD Set 4.4: A 105 ASN : amide:sc= 2 K(o=4.7,f=2.9) USER MOD Set 5.1: A 12 HIS : no HE2:sc= -3.91! C(o=-12!,f=-8.8!) USER MOD Set 5.2: A 16 MET CE :methyl 179:sc= -5.72! (180deg=-5.48!) USER MOD Set 5.3: A 45 TYR OH : rot 180:sc= -0.733 USER MOD Set 5.4: A 53 MET CE :methyl -167:sc= -0.0351 (180deg=-0.316) USER MOD Set 5.5: A 57 HIS : no HD1:sc= 0.264 K(o=-12,f=-9.7!) USER MOD Set 5.6: A 103 CYS SG : rot -140:sc= -1.71 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0343 (180deg=-0.231) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -179:sc= -0.0521 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 137:sc= 0.921 (180deg=0.639) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -24:sc= -3.33! USER MOD Single : A 26 THR OG1 : rot -88:sc= 1.31 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-11!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.527 K(o=-0.53,f=-3.1!) USER MOD Single : A 54 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= -0.0447 (180deg=-0.446) USER MOD Single : A 56 SER OG : rot 66:sc= 1.27 USER MOD Single : A 58 GLN : amide:sc= -0.507 K(o=-0.51,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.13) USER MOD Single : A 61 CYS SG : rot -26:sc= 0.0583 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0625) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 70 GLN : amide:sc= -2.64! K(o=-2.6!,f=0) USER MOD Single : A 73 MET CE :methyl 151:sc= 0 (180deg=-0.17) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.18) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -3.77! K(o=-3.8!,f=-1.1) USER MOD Single : A 102 MET CE :methyl 170:sc= -2.84! (180deg=-3.87) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -9.285 5.031 -9.622 1.00 0.74 N ATOM 61 CA LYS A 6 -8.825 5.767 -8.459 1.00 0.49 C ATOM 62 C LYS A 6 -7.434 5.273 -8.086 1.00 0.39 C ATOM 63 O LYS A 6 -7.261 4.131 -7.679 1.00 0.48 O ATOM 64 CB LYS A 6 -9.788 5.567 -7.289 1.00 0.68 C ATOM 65 CG LYS A 6 -11.247 5.799 -7.650 1.00 0.95 C ATOM 66 CD LYS A 6 -11.493 7.226 -8.110 1.00 1.62 C ATOM 67 CE LYS A 6 -12.938 7.427 -8.539 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.887 7.135 -7.434 1.00 2.61 N ATOM 0 HA LYS A 6 -8.788 6.832 -8.690 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.675 4.553 -6.906 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.511 6.245 -6.482 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.541 5.107 -8.439 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.875 5.582 -6.786 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -11.252 7.917 -7.303 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -10.828 7.462 -8.941 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -13.078 8.454 -8.876 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -13.158 6.780 -9.388 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -14.832 7.488 -7.686 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -13.932 6.108 -7.277 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -13.562 7.604 -6.564 1.00 2.61 H new ATOM 82 N THR A 7 -6.440 6.119 -8.259 1.00 0.30 N ATOM 83 CA THR A 7 -5.062 5.710 -8.064 1.00 0.27 C ATOM 84 C THR A 7 -4.313 6.720 -7.206 1.00 0.21 C ATOM 85 O THR A 7 -4.294 7.915 -7.510 1.00 0.22 O ATOM 86 CB THR A 7 -4.352 5.554 -9.426 1.00 0.33 C ATOM 87 OG1 THR A 7 -5.071 4.613 -10.235 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.914 5.088 -9.255 1.00 0.34 C ATOM 0 H THR A 7 -6.559 7.094 -8.534 1.00 0.30 H new ATOM 0 HA THR A 7 -5.064 4.749 -7.549 1.00 0.27 H new ATOM 0 HB THR A 7 -4.334 6.529 -9.913 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.622 4.515 -11.100 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.445 4.989 -10.234 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.363 5.817 -8.661 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.902 4.123 -8.748 1.00 0.34 H new ATOM 96 N PHE A 8 -3.698 6.243 -6.132 1.00 0.19 N ATOM 97 CA PHE A 8 -2.916 7.115 -5.270 1.00 0.18 C ATOM 98 C PHE A 8 -1.530 6.530 -5.033 1.00 0.19 C ATOM 99 O PHE A 8 -1.373 5.325 -4.806 1.00 0.22 O ATOM 100 CB PHE A 8 -3.650 7.383 -3.941 1.00 0.21 C ATOM 101 CG PHE A 8 -3.326 6.447 -2.806 1.00 0.23 C ATOM 102 CD1 PHE A 8 -3.941 5.208 -2.731 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.398 6.786 -1.834 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.645 4.328 -1.711 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.094 5.907 -0.810 1.00 0.36 C ATOM 106 CZ PHE A 8 -2.737 4.761 -0.673 1.00 0.40 C ATOM 0 H PHE A 8 -3.725 5.266 -5.840 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.793 8.074 -5.773 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.423 8.400 -3.622 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.723 7.339 -4.127 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.663 4.927 -3.483 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -1.907 7.747 -1.876 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.081 3.340 -1.688 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.315 6.163 -0.108 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.586 4.153 0.207 1.00 0.40 H new ATOM 116 N LEU A 9 -0.528 7.388 -5.136 1.00 0.18 N ATOM 117 CA LEU A 9 0.853 6.995 -4.909 1.00 0.20 C ATOM 118 C LEU A 9 1.106 6.862 -3.409 1.00 0.20 C ATOM 119 O LEU A 9 0.570 7.624 -2.608 1.00 0.33 O ATOM 120 CB LEU A 9 1.790 8.042 -5.546 1.00 0.22 C ATOM 121 CG LEU A 9 3.262 7.633 -5.744 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.037 7.686 -4.437 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.353 6.243 -6.359 1.00 0.37 C ATOM 0 H LEU A 9 -0.648 8.372 -5.378 1.00 0.18 H new ATOM 0 HA LEU A 9 1.051 6.029 -5.372 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.381 8.316 -6.518 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.768 8.938 -4.926 1.00 0.22 H new ATOM 0 HG LEU A 9 3.714 8.351 -6.429 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.071 7.391 -4.615 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.012 8.701 -4.040 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.584 7.004 -3.718 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.400 5.972 -6.491 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.872 5.521 -5.699 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.852 6.240 -7.327 1.00 0.37 H new ATOM 135 N SER A 10 1.916 5.894 -3.029 1.00 0.32 N ATOM 136 CA SER A 10 2.223 5.682 -1.631 1.00 0.32 C ATOM 137 C SER A 10 3.690 5.327 -1.471 1.00 0.28 C ATOM 138 O SER A 10 4.351 4.923 -2.432 1.00 0.29 O ATOM 139 CB SER A 10 1.341 4.579 -1.047 1.00 0.41 C ATOM 140 OG SER A 10 1.472 3.378 -1.784 1.00 1.10 O ATOM 0 H SER A 10 2.372 5.243 -3.668 1.00 0.32 H new ATOM 0 HA SER A 10 2.021 6.604 -1.086 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.615 4.403 -0.007 1.00 0.41 H new ATOM 0 HB3 SER A 10 0.300 4.901 -1.052 1.00 0.41 H new ATOM 0 HG SER A 10 1.725 3.587 -2.708 1.00 1.10 H new ATOM 146 N ARG A 11 4.193 5.475 -0.262 1.00 0.28 N ATOM 147 CA ARG A 11 5.586 5.178 0.011 1.00 0.30 C ATOM 148 C ARG A 11 5.697 4.336 1.263 1.00 0.21 C ATOM 149 O ARG A 11 5.092 4.647 2.292 1.00 0.21 O ATOM 150 CB ARG A 11 6.403 6.453 0.189 1.00 0.51 C ATOM 151 CG ARG A 11 6.261 7.453 -0.945 1.00 0.99 C ATOM 152 CD ARG A 11 7.007 7.029 -2.192 1.00 1.00 C ATOM 153 NE ARG A 11 7.619 8.182 -2.847 1.00 1.28 N ATOM 154 CZ ARG A 11 7.807 8.300 -4.159 1.00 1.70 C ATOM 155 NH1 ARG A 11 7.374 7.358 -4.989 1.00 1.99 N ATOM 156 NH2 ARG A 11 8.428 9.368 -4.640 1.00 2.46 N ATOM 0 H ARG A 11 3.660 5.798 0.546 1.00 0.28 H new ATOM 0 HA ARG A 11 5.983 4.630 -0.844 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.105 6.934 1.121 1.00 0.51 H new ATOM 0 HB3 ARG A 11 7.455 6.185 0.291 1.00 0.51 H new ATOM 0 HG2 ARG A 11 5.205 7.579 -1.183 1.00 0.99 H new ATOM 0 HG3 ARG A 11 6.632 8.424 -0.617 1.00 0.99 H new ATOM 0 HD2 ARG A 11 7.776 6.302 -1.932 1.00 1.00 H new ATOM 0 HD3 ARG A 11 6.322 6.535 -2.881 1.00 1.00 H new ATOM 0 HE ARG A 11 7.925 8.954 -2.255 1.00 1.28 H new ATOM 0 HH11 ARG A 11 6.893 6.537 -4.622 1.00 1.99 H new ATOM 0 HH12 ARG A 11 7.522 7.456 -5.993 1.00 1.99 H new ATOM 0 HH21 ARG A 11 8.759 10.094 -4.005 1.00 2.46 H new ATOM 0 HH22 ARG A 11 8.575 9.463 -5.645 1.00 2.46 H new ATOM 170 N HIS A 12 6.433 3.250 1.161 1.00 0.25 N ATOM 171 CA HIS A 12 6.700 2.400 2.304 1.00 0.32 C ATOM 172 C HIS A 12 8.181 2.492 2.641 1.00 0.32 C ATOM 173 O HIS A 12 8.985 2.854 1.792 1.00 0.36 O ATOM 174 CB HIS A 12 6.336 0.936 2.007 1.00 0.36 C ATOM 175 CG HIS A 12 4.922 0.697 1.547 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.458 -0.549 1.186 1.00 0.89 N ATOM 177 CD2 HIS A 12 3.873 1.542 1.380 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.197 -0.462 0.817 1.00 0.86 C ATOM 179 NE2 HIS A 12 2.813 0.796 0.927 1.00 0.51 N ATOM 0 H HIS A 12 6.861 2.932 0.291 1.00 0.25 H new ATOM 0 HA HIS A 12 6.091 2.737 3.143 1.00 0.32 H new ATOM 0 HB2 HIS A 12 7.016 0.559 1.243 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.510 0.347 2.908 1.00 0.36 H new ATOM 0 HD1 HIS A 12 5.008 -1.408 1.202 1.00 0.89 H new ATOM 0 HD2 HIS A 12 3.872 2.605 1.569 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.580 -1.282 0.481 1.00 0.86 H new ATOM 188 N SER A 13 8.537 2.201 3.873 1.00 0.32 N ATOM 189 CA SER A 13 9.934 2.115 4.258 1.00 0.35 C ATOM 190 C SER A 13 10.437 0.684 4.078 1.00 0.43 C ATOM 191 O SER A 13 9.685 -0.177 3.622 1.00 0.91 O ATOM 192 CB SER A 13 10.074 2.567 5.710 1.00 0.68 C ATOM 193 OG SER A 13 9.051 1.992 6.511 1.00 1.70 O ATOM 0 H SER A 13 7.878 2.019 4.630 1.00 0.32 H new ATOM 0 HA SER A 13 10.538 2.764 3.624 1.00 0.35 H new ATOM 0 HB2 SER A 13 11.052 2.277 6.095 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.020 3.654 5.765 1.00 0.68 H new ATOM 0 HG SER A 13 9.146 2.303 7.436 1.00 1.70 H new ATOM 199 N MET A 14 11.704 0.443 4.408 1.00 0.27 N ATOM 200 CA MET A 14 12.269 -0.910 4.424 1.00 0.36 C ATOM 201 C MET A 14 11.378 -1.867 5.212 1.00 0.33 C ATOM 202 O MET A 14 11.065 -2.970 4.753 1.00 0.40 O ATOM 203 CB MET A 14 13.670 -0.884 5.045 1.00 0.56 C ATOM 204 CG MET A 14 14.295 -2.262 5.210 1.00 1.35 C ATOM 205 SD MET A 14 15.881 -2.201 6.063 1.00 1.76 S ATOM 206 CE MET A 14 16.340 -3.932 6.054 1.00 2.75 C ATOM 0 H MET A 14 12.366 1.173 4.671 1.00 0.27 H new ATOM 0 HA MET A 14 12.331 -1.264 3.395 1.00 0.36 H new ATOM 0 HB2 MET A 14 14.322 -0.272 4.422 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.616 -0.401 6.021 1.00 0.56 H new ATOM 0 HG2 MET A 14 13.611 -2.904 5.766 1.00 1.35 H new ATOM 0 HG3 MET A 14 14.431 -2.716 4.228 1.00 1.35 H new ATOM 0 HE1 MET A 14 17.303 -4.056 6.549 1.00 2.75 H new ATOM 0 HE2 MET A 14 15.584 -4.512 6.583 1.00 2.75 H new ATOM 0 HE3 MET A 14 16.413 -4.284 5.025 1.00 2.75 H new ATOM 216 N ASP A 15 10.954 -1.419 6.388 1.00 0.36 N ATOM 217 CA ASP A 15 10.083 -2.197 7.262 1.00 0.41 C ATOM 218 C ASP A 15 8.665 -2.219 6.709 1.00 0.34 C ATOM 219 O ASP A 15 7.861 -3.080 7.067 1.00 0.41 O ATOM 220 CB ASP A 15 10.083 -1.595 8.671 1.00 0.56 C ATOM 221 CG ASP A 15 9.767 -0.108 8.663 1.00 1.18 C ATOM 222 OD1 ASP A 15 10.645 0.687 8.263 1.00 2.07 O ATOM 223 OD2 ASP A 15 8.644 0.280 9.036 1.00 1.49 O ATOM 0 H ASP A 15 11.205 -0.504 6.763 1.00 0.36 H new ATOM 0 HA ASP A 15 10.458 -3.219 7.310 1.00 0.41 H new ATOM 0 HB2 ASP A 15 9.350 -2.117 9.287 1.00 0.56 H new ATOM 0 HB3 ASP A 15 11.058 -1.755 9.132 1.00 0.56 H new ATOM 228 N MET A 16 8.383 -1.260 5.827 1.00 0.29 N ATOM 229 CA MET A 16 7.106 -1.167 5.137 1.00 0.35 C ATOM 230 C MET A 16 5.946 -0.924 6.092 1.00 0.37 C ATOM 231 O MET A 16 5.072 -1.777 6.245 1.00 0.69 O ATOM 232 CB MET A 16 6.850 -2.431 4.309 1.00 0.49 C ATOM 233 CG MET A 16 5.609 -2.353 3.437 1.00 0.67 C ATOM 234 SD MET A 16 5.581 -3.604 2.143 1.00 0.73 S ATOM 235 CE MET A 16 7.079 -3.188 1.257 1.00 0.48 C ATOM 0 H MET A 16 9.041 -0.524 5.573 1.00 0.29 H new ATOM 0 HA MET A 16 7.167 -0.305 4.473 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.716 -2.620 3.675 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.756 -3.282 4.983 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.724 -2.465 4.063 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.553 -1.365 2.981 1.00 0.67 H new ATOM 0 HE1 MET A 16 7.218 -3.885 0.430 1.00 0.48 H new ATOM 0 HE2 MET A 16 7.001 -2.173 0.867 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.931 -3.253 1.933 1.00 0.48 H new ATOM 245 N LYS A 17 5.920 0.224 6.756 1.00 0.31 N ATOM 246 CA LYS A 17 4.733 0.575 7.505 1.00 0.31 C ATOM 247 C LYS A 17 3.894 1.610 6.747 1.00 0.27 C ATOM 248 O LYS A 17 2.756 1.333 6.433 1.00 0.29 O ATOM 249 CB LYS A 17 5.078 1.051 8.919 1.00 0.42 C ATOM 250 CG LYS A 17 6.118 2.148 8.999 1.00 0.59 C ATOM 251 CD LYS A 17 6.201 2.718 10.404 1.00 0.70 C ATOM 252 CE LYS A 17 7.550 3.360 10.664 1.00 0.98 C ATOM 253 NZ LYS A 17 8.635 2.347 10.705 1.00 1.40 N ATOM 0 H LYS A 17 6.680 0.903 6.790 1.00 0.31 H new ATOM 0 HA LYS A 17 4.129 -0.326 7.613 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.165 1.404 9.398 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.431 0.196 9.496 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.091 1.754 8.705 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.869 2.942 8.295 1.00 0.59 H new ATOM 0 HD2 LYS A 17 5.412 3.457 10.545 1.00 0.70 H new ATOM 0 HD3 LYS A 17 6.028 1.924 11.131 1.00 0.70 H new ATOM 0 HE2 LYS A 17 7.763 4.091 9.884 1.00 0.98 H new ATOM 0 HE3 LYS A 17 7.520 3.902 11.609 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 9.460 2.701 10.181 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 8.904 2.166 11.693 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 8.301 1.463 10.270 1.00 1.40 H new ATOM 267 N PHE A 18 4.486 2.767 6.423 1.00 0.29 N ATOM 268 CA PHE A 18 3.851 3.827 5.604 1.00 0.30 C ATOM 269 C PHE A 18 4.531 5.161 5.893 1.00 0.38 C ATOM 270 O PHE A 18 4.372 5.729 6.972 1.00 0.68 O ATOM 271 CB PHE A 18 2.331 3.979 5.846 1.00 0.27 C ATOM 272 CG PHE A 18 1.474 3.536 4.675 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.424 4.288 3.509 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.712 2.369 4.740 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.643 3.888 2.441 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.068 1.971 3.673 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.102 2.731 2.523 1.00 0.44 C ATOM 0 H PHE A 18 5.432 3.003 6.723 1.00 0.29 H new ATOM 0 HA PHE A 18 3.977 3.528 4.563 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.054 3.399 6.726 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.111 5.023 6.070 1.00 0.27 H new ATOM 0 HD1 PHE A 18 2.003 5.197 3.436 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.733 1.769 5.638 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.616 4.483 1.540 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.651 1.065 3.739 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.712 2.420 1.687 1.00 0.44 H new ATOM 287 N THR A 19 5.303 5.635 4.930 1.00 0.21 N ATOM 288 CA THR A 19 6.075 6.859 5.090 1.00 0.23 C ATOM 289 C THR A 19 5.533 8.006 4.236 1.00 0.22 C ATOM 290 O THR A 19 5.892 9.164 4.449 1.00 0.26 O ATOM 291 CB THR A 19 7.558 6.617 4.753 1.00 0.30 C ATOM 292 OG1 THR A 19 7.670 5.848 3.546 1.00 0.63 O ATOM 293 CG2 THR A 19 8.256 5.889 5.894 1.00 0.43 C ATOM 0 H THR A 19 5.413 5.187 4.020 1.00 0.21 H new ATOM 0 HA THR A 19 5.983 7.151 6.136 1.00 0.23 H new ATOM 0 HB THR A 19 8.040 7.584 4.609 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.616 5.700 3.339 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.303 5.728 5.636 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.194 6.490 6.801 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.771 4.927 6.062 1.00 0.43 H new ATOM 301 N TYR A 20 4.670 7.693 3.273 1.00 0.21 N ATOM 302 CA TYR A 20 4.000 8.733 2.492 1.00 0.23 C ATOM 303 C TYR A 20 2.693 8.211 1.909 1.00 0.21 C ATOM 304 O TYR A 20 2.587 7.042 1.527 1.00 0.22 O ATOM 305 CB TYR A 20 4.897 9.278 1.374 1.00 0.31 C ATOM 306 CG TYR A 20 4.243 10.350 0.522 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.332 11.692 0.868 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.532 10.016 -0.628 1.00 0.46 C ATOM 309 CE1 TYR A 20 3.733 12.669 0.097 1.00 0.60 C ATOM 310 CE2 TYR A 20 2.929 10.988 -1.405 1.00 0.57 C ATOM 311 CZ TYR A 20 3.033 12.314 -1.036 1.00 0.64 C ATOM 312 OH TYR A 20 2.439 13.291 -1.806 1.00 0.77 O ATOM 0 H TYR A 20 4.419 6.739 3.015 1.00 0.21 H new ATOM 0 HA TYR A 20 3.782 9.556 3.173 1.00 0.23 H new ATOM 0 HB2 TYR A 20 5.805 9.686 1.818 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.200 8.452 0.730 1.00 0.31 H new ATOM 0 HD1 TYR A 20 4.879 11.977 1.755 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.450 8.979 -0.918 1.00 0.46 H new ATOM 0 HE1 TYR A 20 3.813 13.708 0.381 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.381 10.712 -2.294 1.00 0.57 H new ATOM 0 HH TYR A 20 1.986 12.876 -2.569 1.00 0.77 H new ATOM 322 N CYS A 21 1.704 9.088 1.860 1.00 0.19 N ATOM 323 CA CYS A 21 0.403 8.770 1.309 1.00 0.19 C ATOM 324 C CYS A 21 -0.073 9.906 0.424 1.00 0.18 C ATOM 325 O CYS A 21 0.032 11.074 0.796 1.00 0.21 O ATOM 326 CB CYS A 21 -0.587 8.550 2.444 1.00 0.20 C ATOM 327 SG CYS A 21 -0.275 7.057 3.399 1.00 0.34 S ATOM 0 H CYS A 21 1.785 10.045 2.204 1.00 0.19 H new ATOM 0 HA CYS A 21 0.476 7.862 0.711 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.557 9.411 3.112 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.595 8.502 2.031 1.00 0.20 H new ATOM 0 HG CYS A 21 0.383 6.205 2.670 1.00 0.34 H new ATOM 333 N ASP A 22 -0.551 9.567 -0.758 1.00 0.17 N ATOM 334 CA ASP A 22 -1.115 10.562 -1.661 1.00 0.18 C ATOM 335 C ASP A 22 -2.426 11.088 -1.093 1.00 0.18 C ATOM 336 O ASP A 22 -3.140 10.360 -0.407 1.00 0.20 O ATOM 337 CB ASP A 22 -1.340 9.960 -3.049 1.00 0.20 C ATOM 338 CG ASP A 22 -1.733 10.994 -4.086 1.00 0.27 C ATOM 339 OD1 ASP A 22 -2.915 11.402 -4.097 1.00 0.55 O ATOM 340 OD2 ASP A 22 -0.868 11.409 -4.886 1.00 0.67 O ATOM 0 H ASP A 22 -0.562 8.613 -1.118 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.412 11.389 -1.758 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.429 9.457 -3.373 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.119 9.200 -2.988 1.00 0.20 H new ATOM 345 N ASP A 23 -2.742 12.339 -1.398 1.00 0.20 N ATOM 346 CA ASP A 23 -3.902 13.016 -0.815 1.00 0.23 C ATOM 347 C ASP A 23 -5.199 12.309 -1.191 1.00 0.21 C ATOM 348 O ASP A 23 -6.205 12.421 -0.488 1.00 0.23 O ATOM 349 CB ASP A 23 -3.950 14.485 -1.242 1.00 0.31 C ATOM 350 CG ASP A 23 -2.863 15.316 -0.586 1.00 1.33 C ATOM 351 OD1 ASP A 23 -3.094 15.837 0.527 1.00 2.12 O ATOM 352 OD2 ASP A 23 -1.773 15.460 -1.180 1.00 1.97 O ATOM 0 H ASP A 23 -2.209 12.913 -2.051 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.796 12.977 0.269 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -3.848 14.549 -2.325 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.925 14.902 -0.989 1.00 0.31 H new ATOM 357 N ARG A 24 -5.157 11.561 -2.288 1.00 0.20 N ATOM 358 CA ARG A 24 -6.287 10.747 -2.730 1.00 0.21 C ATOM 359 C ARG A 24 -6.729 9.752 -1.654 1.00 0.19 C ATOM 360 O ARG A 24 -7.878 9.301 -1.648 1.00 0.21 O ATOM 361 CB ARG A 24 -5.926 9.985 -4.007 1.00 0.24 C ATOM 362 CG ARG A 24 -6.047 10.799 -5.286 1.00 0.66 C ATOM 363 CD ARG A 24 -7.478 11.255 -5.524 1.00 1.23 C ATOM 364 NE ARG A 24 -7.714 11.620 -6.923 1.00 1.64 N ATOM 365 CZ ARG A 24 -8.728 12.381 -7.338 1.00 2.49 C ATOM 366 NH1 ARG A 24 -9.530 12.967 -6.458 1.00 3.22 N ATOM 367 NH2 ARG A 24 -8.919 12.578 -8.639 1.00 2.98 N ATOM 0 H ARG A 24 -4.340 11.501 -2.896 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.116 11.427 -2.927 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -4.903 9.620 -3.920 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.571 9.110 -4.087 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -5.392 11.668 -5.228 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.709 10.201 -6.132 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -8.164 10.459 -5.237 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -7.697 12.110 -4.885 1.00 1.23 H new ATOM 0 HE ARG A 24 -7.061 11.270 -7.624 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -9.373 12.837 -5.459 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -10.304 13.548 -6.781 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -8.291 12.148 -9.318 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -9.694 13.160 -8.958 1.00 2.98 H new ATOM 381 N ILE A 25 -5.824 9.422 -0.736 1.00 0.17 N ATOM 382 CA ILE A 25 -6.093 8.412 0.284 1.00 0.18 C ATOM 383 C ILE A 25 -7.302 8.824 1.140 1.00 0.19 C ATOM 384 O ILE A 25 -8.071 7.974 1.583 1.00 0.21 O ATOM 385 CB ILE A 25 -4.832 8.165 1.166 1.00 0.19 C ATOM 386 CG1 ILE A 25 -4.980 6.905 2.037 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.527 9.379 2.037 1.00 0.19 C ATOM 388 CD1 ILE A 25 -5.665 7.138 3.366 1.00 0.76 C ATOM 0 H ILE A 25 -4.896 9.841 -0.678 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.336 7.473 -0.213 1.00 0.18 H new ATOM 0 HB ILE A 25 -3.994 8.004 0.487 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.543 6.157 1.479 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -3.990 6.488 2.221 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.643 9.180 2.642 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.344 10.246 1.402 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.376 9.580 2.690 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -5.726 6.197 3.913 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -5.093 7.860 3.948 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -6.670 7.524 3.195 1.00 0.76 H new ATOM 400 N THR A 26 -7.474 10.133 1.332 1.00 0.20 N ATOM 401 CA THR A 26 -8.624 10.671 2.061 1.00 0.22 C ATOM 402 C THR A 26 -9.948 10.169 1.477 1.00 0.25 C ATOM 403 O THR A 26 -10.920 9.940 2.200 1.00 0.31 O ATOM 404 CB THR A 26 -8.619 12.214 2.046 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.589 12.699 0.695 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.422 12.760 2.811 1.00 0.26 C ATOM 0 H THR A 26 -6.827 10.844 0.990 1.00 0.20 H new ATOM 0 HA THR A 26 -8.537 10.319 3.089 1.00 0.22 H new ATOM 0 HB THR A 26 -9.532 12.558 2.532 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.659 12.779 0.397 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.441 13.850 2.786 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.465 12.420 3.846 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.501 12.402 2.350 1.00 0.26 H new ATOM 414 N GLU A 27 -9.962 9.992 0.165 1.00 0.25 N ATOM 415 CA GLU A 27 -11.151 9.549 -0.549 1.00 0.30 C ATOM 416 C GLU A 27 -11.192 8.028 -0.673 1.00 0.33 C ATOM 417 O GLU A 27 -12.256 7.445 -0.886 1.00 0.43 O ATOM 418 CB GLU A 27 -11.173 10.171 -1.945 1.00 0.38 C ATOM 419 CG GLU A 27 -11.167 11.691 -1.946 1.00 0.55 C ATOM 420 CD GLU A 27 -12.433 12.281 -1.367 1.00 1.43 C ATOM 421 OE1 GLU A 27 -13.436 12.401 -2.104 1.00 1.63 O ATOM 422 OE2 GLU A 27 -12.434 12.626 -0.167 1.00 2.28 O ATOM 0 H GLU A 27 -9.152 10.151 -0.434 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.024 9.870 0.019 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.308 9.814 -2.504 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.060 9.821 -2.473 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -10.310 12.047 -1.374 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -11.039 12.049 -2.968 1.00 0.55 H new ATOM 429 N LEU A 28 -10.037 7.390 -0.543 1.00 0.27 N ATOM 430 CA LEU A 28 -9.926 5.958 -0.814 1.00 0.30 C ATOM 431 C LEU A 28 -9.967 5.120 0.465 1.00 0.31 C ATOM 432 O LEU A 28 -10.796 4.224 0.600 1.00 0.35 O ATOM 433 CB LEU A 28 -8.638 5.679 -1.591 1.00 0.30 C ATOM 434 CG LEU A 28 -8.481 6.496 -2.878 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.190 6.136 -3.595 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.678 6.284 -3.793 1.00 0.32 C ATOM 0 H LEU A 28 -9.166 7.836 -0.253 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.789 5.667 -1.413 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.786 5.881 -0.942 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.603 4.619 -1.842 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.435 7.551 -2.607 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.102 6.729 -4.505 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.342 6.344 -2.943 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.200 5.077 -3.852 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.550 6.872 -4.702 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.756 5.228 -4.052 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.587 6.600 -3.282 1.00 0.32 H new ATOM 448 N ILE A 29 -9.087 5.426 1.406 1.00 0.28 N ATOM 449 CA ILE A 29 -9.003 4.665 2.650 1.00 0.30 C ATOM 450 C ILE A 29 -9.637 5.478 3.777 1.00 0.29 C ATOM 451 O ILE A 29 -9.865 4.990 4.881 1.00 0.33 O ATOM 452 CB ILE A 29 -7.536 4.310 3.002 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.845 3.629 1.814 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.464 3.411 4.232 1.00 0.34 C ATOM 455 CD1 ILE A 29 -7.510 2.341 1.370 1.00 1.10 C ATOM 0 H ILE A 29 -8.420 6.195 1.335 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.543 3.727 2.521 1.00 0.30 H new ATOM 0 HB ILE A 29 -7.016 5.241 3.228 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -6.822 4.323 0.974 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -5.810 3.418 2.081 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.422 3.180 4.453 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.911 3.924 5.084 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -8.008 2.486 4.039 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -6.963 1.921 0.526 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -7.509 1.628 2.194 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -8.537 2.547 1.070 1.00 1.10 H new ATOM 467 N GLY A 30 -9.953 6.722 3.461 1.00 0.27 N ATOM 468 CA GLY A 30 -10.629 7.597 4.396 1.00 0.29 C ATOM 469 C GLY A 30 -9.715 8.324 5.370 1.00 0.28 C ATOM 470 O GLY A 30 -10.093 9.372 5.891 1.00 0.32 O ATOM 0 H GLY A 30 -9.749 7.149 2.557 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.197 8.337 3.832 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.349 7.009 4.966 1.00 0.29 H new ATOM 474 N TYR A 31 -8.519 7.802 5.625 1.00 0.28 N ATOM 475 CA TYR A 31 -7.595 8.477 6.521 1.00 0.33 C ATOM 476 C TYR A 31 -6.912 9.627 5.802 1.00 0.34 C ATOM 477 O TYR A 31 -7.183 9.892 4.634 1.00 0.43 O ATOM 478 CB TYR A 31 -6.537 7.514 7.060 1.00 0.38 C ATOM 479 CG TYR A 31 -7.080 6.404 7.932 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.489 6.661 9.234 1.00 0.45 C ATOM 481 CD2 TYR A 31 -7.165 5.101 7.460 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.971 5.651 10.041 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.648 4.084 8.260 1.00 0.43 C ATOM 484 CZ TYR A 31 -8.049 4.363 9.552 1.00 0.46 C ATOM 485 OH TYR A 31 -8.529 3.354 10.354 1.00 0.53 O ATOM 0 H TYR A 31 -8.174 6.928 5.230 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.172 8.861 7.362 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -6.007 7.070 6.218 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.805 8.083 7.633 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.429 7.667 9.621 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.848 4.879 6.452 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.286 5.868 11.051 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.712 3.076 7.877 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.519 2.509 9.858 1.00 0.53 H new ATOM 495 N HIS A 32 -6.021 10.301 6.497 1.00 0.31 N ATOM 496 CA HIS A 32 -5.240 11.362 5.889 1.00 0.34 C ATOM 497 C HIS A 32 -3.853 10.856 5.587 1.00 0.23 C ATOM 498 O HIS A 32 -3.390 9.918 6.233 1.00 0.23 O ATOM 499 CB HIS A 32 -5.132 12.568 6.823 1.00 0.52 C ATOM 500 CG HIS A 32 -6.100 13.658 6.520 1.00 0.68 C ATOM 501 ND1 HIS A 32 -5.764 14.779 5.804 1.00 1.52 N ATOM 502 CD2 HIS A 32 -7.401 13.792 6.839 1.00 1.52 C ATOM 503 CE1 HIS A 32 -6.816 15.558 5.694 1.00 1.90 C ATOM 504 NE2 HIS A 32 -7.833 14.982 6.311 1.00 1.89 N ATOM 0 H HIS A 32 -5.818 10.135 7.483 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.741 11.670 4.971 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.286 12.235 7.849 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.120 12.969 6.766 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -7.995 13.091 7.406 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -6.845 16.510 5.185 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -8.778 15.358 6.382 1.00 1.89 H new ATOM 513 N PRO A 33 -3.164 11.456 4.610 1.00 0.24 N ATOM 514 CA PRO A 33 -1.752 11.185 4.402 1.00 0.27 C ATOM 515 C PRO A 33 -1.004 11.287 5.720 1.00 0.25 C ATOM 516 O PRO A 33 -0.252 10.394 6.091 1.00 0.29 O ATOM 517 CB PRO A 33 -1.319 12.286 3.436 1.00 0.34 C ATOM 518 CG PRO A 33 -2.553 12.610 2.669 1.00 0.33 C ATOM 519 CD PRO A 33 -3.700 12.416 3.625 1.00 0.29 C ATOM 0 HA PRO A 33 -1.551 10.186 4.014 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -0.942 13.158 3.970 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.520 11.946 2.778 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.524 13.634 2.298 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.655 11.959 1.801 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -3.994 13.354 4.096 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.582 12.023 3.120 1.00 0.29 H new ATOM 527 N GLU A 34 -1.319 12.338 6.471 1.00 0.25 N ATOM 528 CA GLU A 34 -0.662 12.613 7.747 1.00 0.30 C ATOM 529 C GLU A 34 -1.041 11.574 8.785 1.00 0.28 C ATOM 530 O GLU A 34 -0.335 11.381 9.779 1.00 0.32 O ATOM 531 CB GLU A 34 -1.061 13.992 8.260 1.00 0.37 C ATOM 532 CG GLU A 34 -0.860 15.084 7.241 1.00 1.01 C ATOM 533 CD GLU A 34 0.551 15.115 6.689 1.00 1.68 C ATOM 534 OE1 GLU A 34 1.503 15.132 7.493 1.00 2.14 O ATOM 535 OE2 GLU A 34 0.711 15.105 5.451 1.00 2.13 O ATOM 0 H GLU A 34 -2.033 13.020 6.215 1.00 0.25 H new ATOM 0 HA GLU A 34 0.415 12.578 7.582 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -2.109 13.972 8.560 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.478 14.224 9.152 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -1.564 14.944 6.421 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.089 16.047 7.697 1.00 1.01 H new ATOM 542 N GLU A 35 -2.147 10.896 8.539 1.00 0.26 N ATOM 543 CA GLU A 35 -2.648 9.915 9.471 1.00 0.29 C ATOM 544 C GLU A 35 -1.874 8.614 9.344 1.00 0.29 C ATOM 545 O GLU A 35 -1.624 7.937 10.339 1.00 0.43 O ATOM 546 CB GLU A 35 -4.140 9.654 9.250 1.00 0.34 C ATOM 547 CG GLU A 35 -5.047 10.623 9.984 1.00 0.61 C ATOM 548 CD GLU A 35 -4.825 10.605 11.481 1.00 1.23 C ATOM 549 OE1 GLU A 35 -5.008 9.538 12.105 1.00 1.81 O ATOM 550 OE2 GLU A 35 -4.487 11.665 12.044 1.00 1.71 O ATOM 0 H GLU A 35 -2.713 11.010 7.698 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.512 10.314 10.476 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.354 9.708 8.183 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.373 8.639 9.571 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.877 11.631 9.607 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -6.087 10.374 9.771 1.00 0.61 H new ATOM 557 N LEU A 36 -1.491 8.265 8.122 1.00 0.27 N ATOM 558 CA LEU A 36 -0.784 7.012 7.898 1.00 0.29 C ATOM 559 C LEU A 36 0.720 7.192 8.092 1.00 0.32 C ATOM 560 O LEU A 36 1.434 6.231 8.371 1.00 0.46 O ATOM 561 CB LEU A 36 -1.053 6.429 6.508 1.00 0.29 C ATOM 562 CG LEU A 36 -2.440 5.817 6.300 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.472 6.897 6.068 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.423 4.835 5.140 1.00 0.29 C ATOM 0 H LEU A 36 -1.655 8.822 7.284 1.00 0.27 H new ATOM 0 HA LEU A 36 -1.165 6.307 8.637 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.910 7.218 5.770 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.304 5.663 6.305 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.712 5.274 7.205 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.451 6.440 5.922 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.506 7.560 6.933 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -3.204 7.471 5.181 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.418 4.411 5.008 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.126 5.354 4.229 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.713 4.036 5.350 1.00 0.29 H new ATOM 576 N LEU A 37 1.185 8.427 7.906 1.00 0.41 N ATOM 577 CA LEU A 37 2.612 8.744 7.948 1.00 0.48 C ATOM 578 C LEU A 37 3.252 8.388 9.283 1.00 0.60 C ATOM 579 O LEU A 37 3.277 9.196 10.215 1.00 1.27 O ATOM 580 CB LEU A 37 2.866 10.225 7.644 1.00 0.76 C ATOM 581 CG LEU A 37 2.506 10.696 6.236 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.382 11.867 5.822 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.622 9.558 5.241 1.00 0.94 C ATOM 0 H LEU A 37 0.586 9.232 7.723 1.00 0.41 H new ATOM 0 HA LEU A 37 3.076 8.131 7.175 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.302 10.823 8.360 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.922 10.434 7.816 1.00 0.76 H new ATOM 0 HG LEU A 37 1.469 11.033 6.244 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.110 12.187 4.816 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.237 12.693 6.518 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.428 11.561 5.835 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.361 9.917 4.246 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.645 9.183 5.235 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.943 8.754 5.526 1.00 0.94 H new ATOM 595 N GLY A 38 3.741 7.164 9.367 1.00 0.31 N ATOM 596 CA GLY A 38 4.494 6.738 10.521 1.00 0.44 C ATOM 597 C GLY A 38 3.760 5.689 11.320 1.00 0.42 C ATOM 598 O GLY A 38 3.941 5.589 12.534 1.00 0.54 O ATOM 0 H GLY A 38 3.627 6.451 8.647 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.457 6.341 10.199 1.00 0.44 H new ATOM 0 HA3 GLY A 38 4.701 7.599 11.157 1.00 0.44 H new ATOM 602 N ARG A 39 2.929 4.906 10.647 1.00 0.34 N ATOM 603 CA ARG A 39 2.204 3.834 11.313 1.00 0.37 C ATOM 604 C ARG A 39 2.422 2.536 10.567 1.00 0.35 C ATOM 605 O ARG A 39 2.653 2.549 9.362 1.00 0.48 O ATOM 606 CB ARG A 39 0.707 4.135 11.386 1.00 0.48 C ATOM 607 CG ARG A 39 0.014 4.134 10.036 1.00 0.48 C ATOM 608 CD ARG A 39 -1.497 4.140 10.196 1.00 0.69 C ATOM 609 NE ARG A 39 -1.965 5.332 10.899 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.791 5.309 11.942 1.00 1.72 C ATOM 611 NH1 ARG A 39 -3.173 4.154 12.474 1.00 1.80 N ATOM 612 NH2 ARG A 39 -3.201 6.452 12.478 1.00 2.61 N ATOM 0 H ARG A 39 2.741 4.992 9.648 1.00 0.34 H new ATOM 0 HA ARG A 39 2.584 3.749 12.331 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.229 3.397 12.030 1.00 0.48 H new ATOM 0 HB3 ARG A 39 0.564 5.108 11.856 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.325 5.008 9.463 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.319 3.255 9.468 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.966 4.090 9.214 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.808 3.250 10.743 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.638 6.240 10.569 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -2.833 3.275 12.083 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -3.806 4.145 13.273 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.883 7.340 12.090 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -3.834 6.442 13.278 1.00 2.61 H new ATOM 626 N SER A 40 2.324 1.425 11.274 1.00 0.37 N ATOM 627 CA SER A 40 2.574 0.122 10.689 1.00 0.43 C ATOM 628 C SER A 40 1.393 -0.314 9.832 1.00 0.39 C ATOM 629 O SER A 40 0.316 -0.596 10.353 1.00 0.43 O ATOM 630 CB SER A 40 2.832 -0.896 11.798 1.00 0.57 C ATOM 631 OG SER A 40 3.860 -0.444 12.669 1.00 1.23 O ATOM 0 H SER A 40 2.071 1.401 12.262 1.00 0.37 H new ATOM 0 HA SER A 40 3.454 0.183 10.049 1.00 0.43 H new ATOM 0 HB2 SER A 40 1.916 -1.063 12.365 1.00 0.57 H new ATOM 0 HB3 SER A 40 3.115 -1.853 11.360 1.00 0.57 H new ATOM 0 HG SER A 40 4.008 -1.109 13.373 1.00 1.23 H new ATOM 637 N ALA A 41 1.606 -0.351 8.515 1.00 0.35 N ATOM 638 CA ALA A 41 0.572 -0.742 7.558 1.00 0.34 C ATOM 639 C ALA A 41 -0.177 -1.971 8.022 1.00 0.33 C ATOM 640 O ALA A 41 -1.398 -1.995 7.998 1.00 0.33 O ATOM 641 CB ALA A 41 1.175 -1.014 6.188 1.00 0.35 C ATOM 0 H ALA A 41 2.499 -0.111 8.084 1.00 0.35 H new ATOM 0 HA ALA A 41 -0.128 0.091 7.488 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.386 -1.303 5.494 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.668 -0.113 5.822 1.00 0.35 H new ATOM 0 HB3 ALA A 41 1.904 -1.821 6.265 1.00 0.35 H new ATOM 647 N TYR A 42 0.567 -2.970 8.479 1.00 0.37 N ATOM 648 CA TYR A 42 0.017 -4.282 8.815 1.00 0.42 C ATOM 649 C TYR A 42 -1.134 -4.239 9.833 1.00 0.47 C ATOM 650 O TYR A 42 -1.805 -5.250 10.027 1.00 0.55 O ATOM 651 CB TYR A 42 1.129 -5.206 9.311 1.00 0.47 C ATOM 652 CG TYR A 42 2.136 -5.565 8.242 1.00 0.54 C ATOM 653 CD1 TYR A 42 1.959 -6.681 7.435 1.00 0.72 C ATOM 654 CD2 TYR A 42 3.269 -4.785 8.044 1.00 0.67 C ATOM 655 CE1 TYR A 42 2.883 -7.011 6.463 1.00 0.90 C ATOM 656 CE2 TYR A 42 4.197 -5.108 7.074 1.00 0.84 C ATOM 657 CZ TYR A 42 3.977 -6.227 6.265 1.00 0.91 C ATOM 658 OH TYR A 42 4.919 -6.546 5.315 1.00 1.14 O ATOM 0 H TYR A 42 1.573 -2.895 8.629 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.415 -4.673 7.894 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.647 -4.725 10.140 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.683 -6.121 9.701 1.00 0.47 H new ATOM 0 HD1 TYR A 42 1.085 -7.301 7.570 1.00 0.72 H new ATOM 0 HD2 TYR A 42 3.426 -3.911 8.659 1.00 0.67 H new ATOM 0 HE1 TYR A 42 2.737 -7.894 5.858 1.00 0.90 H new ATOM 0 HE2 TYR A 42 5.082 -4.504 6.942 1.00 0.84 H new ATOM 0 HH TYR A 42 5.628 -5.869 5.317 1.00 1.14 H new ATOM 668 N GLU A 43 -1.385 -3.095 10.476 1.00 0.48 N ATOM 669 CA GLU A 43 -2.514 -2.982 11.402 1.00 0.56 C ATOM 670 C GLU A 43 -3.839 -2.904 10.628 1.00 0.57 C ATOM 671 O GLU A 43 -4.919 -3.033 11.205 1.00 1.01 O ATOM 672 CB GLU A 43 -2.363 -1.757 12.310 1.00 0.65 C ATOM 673 CG GLU A 43 -2.496 -0.467 11.549 1.00 0.95 C ATOM 674 CD GLU A 43 -2.781 0.740 12.421 1.00 1.72 C ATOM 675 OE1 GLU A 43 -3.873 0.799 13.024 1.00 1.89 O ATOM 676 OE2 GLU A 43 -1.927 1.649 12.491 1.00 2.57 O ATOM 0 H GLU A 43 -0.830 -2.245 10.374 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.522 -3.874 12.029 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -3.118 -1.793 13.095 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -1.391 -1.789 12.801 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -1.576 -0.290 10.992 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -3.297 -0.570 10.817 1.00 0.95 H new ATOM 683 N PHE A 44 -3.737 -2.704 9.313 1.00 0.40 N ATOM 684 CA PHE A 44 -4.906 -2.609 8.438 1.00 0.38 C ATOM 685 C PHE A 44 -4.561 -3.066 7.026 1.00 0.30 C ATOM 686 O PHE A 44 -5.406 -3.046 6.127 1.00 0.40 O ATOM 687 CB PHE A 44 -5.428 -1.163 8.392 1.00 0.48 C ATOM 688 CG PHE A 44 -4.412 -0.145 7.934 1.00 0.48 C ATOM 689 CD1 PHE A 44 -4.239 0.108 6.588 1.00 0.62 C ATOM 690 CD2 PHE A 44 -3.628 0.551 8.844 1.00 0.50 C ATOM 691 CE1 PHE A 44 -3.315 1.030 6.148 1.00 0.77 C ATOM 692 CE2 PHE A 44 -2.698 1.480 8.408 1.00 0.56 C ATOM 693 CZ PHE A 44 -2.538 1.744 7.125 1.00 0.70 C ATOM 0 H PHE A 44 -2.846 -2.604 8.827 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.681 -3.259 8.843 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -6.290 -1.122 7.726 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.779 -0.885 9.386 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -4.839 -0.427 5.867 1.00 0.62 H new ATOM 0 HD2 PHE A 44 -3.744 0.366 9.902 1.00 0.50 H new ATOM 0 HE1 PHE A 44 -3.177 1.213 5.093 1.00 0.77 H new ATOM 0 HE2 PHE A 44 -2.090 2.000 9.134 1.00 0.56 H new ATOM 0 HZ PHE A 44 -1.827 2.493 6.810 1.00 0.70 H new ATOM 703 N TYR A 45 -3.306 -3.445 6.830 1.00 0.29 N ATOM 704 CA TYR A 45 -2.789 -3.889 5.544 1.00 0.28 C ATOM 705 C TYR A 45 -3.384 -5.222 5.099 1.00 0.30 C ATOM 706 O TYR A 45 -2.674 -6.223 5.003 1.00 0.37 O ATOM 707 CB TYR A 45 -1.270 -4.024 5.655 1.00 0.34 C ATOM 708 CG TYR A 45 -0.522 -3.780 4.373 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.796 -2.665 3.596 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.465 -4.655 3.944 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.108 -2.427 2.427 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.163 -4.422 2.777 1.00 0.68 C ATOM 713 CZ TYR A 45 0.872 -3.308 2.019 1.00 0.68 C ATOM 714 OH TYR A 45 1.565 -3.076 0.853 1.00 0.85 O ATOM 0 H TYR A 45 -2.607 -3.453 7.573 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.069 -3.149 4.795 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.911 -3.323 6.408 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -1.033 -5.026 6.013 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.561 -1.972 3.913 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.691 -5.532 4.532 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.335 -1.554 1.832 1.00 0.61 H new ATOM 0 HE2 TYR A 45 1.933 -5.109 2.459 1.00 0.68 H new ATOM 0 HH TYR A 45 2.220 -3.792 0.714 1.00 0.85 H new ATOM 724 N HIS A 46 -4.684 -5.207 4.823 1.00 0.28 N ATOM 725 CA HIS A 46 -5.396 -6.345 4.232 1.00 0.31 C ATOM 726 C HIS A 46 -5.445 -7.511 5.210 1.00 0.37 C ATOM 727 O HIS A 46 -4.456 -8.208 5.390 1.00 0.57 O ATOM 728 CB HIS A 46 -4.733 -6.792 2.917 1.00 0.37 C ATOM 729 CG HIS A 46 -4.095 -5.670 2.167 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.778 -5.695 1.773 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.569 -4.455 1.815 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.468 -4.541 1.221 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.535 -3.772 1.235 1.00 0.43 N ATOM 0 H HIS A 46 -5.282 -4.400 5.003 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.414 -6.022 4.012 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.979 -7.548 3.137 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.483 -7.264 2.282 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.575 -4.091 1.963 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.501 -4.271 0.824 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.584 -2.820 0.872 1.00 0.43 H new ATOM 742 N ALA A 47 -6.596 -7.726 5.829 1.00 0.39 N ATOM 743 CA ALA A 47 -6.722 -8.740 6.872 1.00 0.44 C ATOM 744 C ALA A 47 -6.253 -10.117 6.400 1.00 0.44 C ATOM 745 O ALA A 47 -5.304 -10.677 6.950 1.00 0.48 O ATOM 746 CB ALA A 47 -8.162 -8.814 7.354 1.00 0.57 C ATOM 0 H ALA A 47 -7.456 -7.215 5.630 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.074 -8.443 7.697 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.247 -9.573 8.132 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.461 -7.846 7.757 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -8.812 -9.076 6.519 1.00 0.57 H new ATOM 752 N LEU A 48 -6.909 -10.656 5.380 1.00 0.48 N ATOM 753 CA LEU A 48 -6.566 -11.979 4.862 1.00 0.53 C ATOM 754 C LEU A 48 -5.510 -11.920 3.761 1.00 0.48 C ATOM 755 O LEU A 48 -4.856 -12.921 3.473 1.00 0.52 O ATOM 756 CB LEU A 48 -7.815 -12.708 4.343 1.00 0.67 C ATOM 757 CG LEU A 48 -8.547 -12.044 3.169 1.00 0.76 C ATOM 758 CD1 LEU A 48 -9.461 -13.053 2.490 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.362 -10.846 3.638 1.00 0.99 C ATOM 0 H LEU A 48 -7.681 -10.200 4.894 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.144 -12.536 5.698 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.524 -13.714 4.041 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.518 -12.814 5.169 1.00 0.67 H new ATOM 0 HG LEU A 48 -7.799 -11.693 2.458 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -9.977 -12.574 1.658 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -8.868 -13.888 2.117 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.194 -13.421 3.208 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -9.870 -10.395 2.785 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.101 -11.173 4.369 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -8.699 -10.112 4.095 1.00 0.99 H new ATOM 771 N ASP A 49 -5.318 -10.752 3.165 1.00 0.45 N ATOM 772 CA ASP A 49 -4.430 -10.632 2.006 1.00 0.45 C ATOM 773 C ASP A 49 -3.054 -10.171 2.458 1.00 0.41 C ATOM 774 O ASP A 49 -2.140 -9.992 1.649 1.00 0.49 O ATOM 775 CB ASP A 49 -4.971 -9.626 0.989 1.00 0.55 C ATOM 776 CG ASP A 49 -6.449 -9.778 0.718 1.00 0.91 C ATOM 777 OD1 ASP A 49 -7.268 -9.195 1.460 1.00 1.64 O ATOM 778 OD2 ASP A 49 -6.792 -10.521 -0.223 1.00 1.07 O ATOM 0 H ASP A 49 -5.758 -9.879 3.457 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.369 -11.612 1.534 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -4.778 -8.616 1.351 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -4.425 -9.739 0.053 1.00 0.55 H new ATOM 783 N SER A 50 -2.935 -9.935 3.756 1.00 0.36 N ATOM 784 CA SER A 50 -1.664 -9.563 4.368 1.00 0.35 C ATOM 785 C SER A 50 -0.568 -10.558 3.993 1.00 0.35 C ATOM 786 O SER A 50 0.538 -10.155 3.638 1.00 0.41 O ATOM 787 CB SER A 50 -1.811 -9.487 5.892 1.00 0.37 C ATOM 788 OG SER A 50 -0.665 -8.910 6.495 1.00 1.25 O ATOM 0 H SER A 50 -3.712 -9.995 4.414 1.00 0.36 H new ATOM 0 HA SER A 50 -1.378 -8.581 3.991 1.00 0.35 H new ATOM 0 HB2 SER A 50 -2.692 -8.898 6.145 1.00 0.37 H new ATOM 0 HB3 SER A 50 -1.970 -10.488 6.294 1.00 0.37 H new ATOM 0 HG SER A 50 -0.790 -8.874 7.466 1.00 1.25 H new ATOM 794 N GLU A 51 -0.892 -11.850 4.047 1.00 0.38 N ATOM 795 CA GLU A 51 0.054 -12.904 3.687 1.00 0.45 C ATOM 796 C GLU A 51 0.617 -12.684 2.290 1.00 0.43 C ATOM 797 O GLU A 51 1.833 -12.691 2.092 1.00 0.47 O ATOM 798 CB GLU A 51 -0.620 -14.274 3.761 1.00 0.55 C ATOM 799 CG GLU A 51 -0.564 -14.908 5.139 1.00 1.32 C ATOM 800 CD GLU A 51 0.847 -15.293 5.533 1.00 1.99 C ATOM 801 OE1 GLU A 51 1.405 -16.222 4.916 1.00 2.49 O ATOM 802 OE2 GLU A 51 1.404 -14.669 6.459 1.00 2.68 O ATOM 0 H GLU A 51 -1.808 -12.192 4.338 1.00 0.38 H new ATOM 0 HA GLU A 51 0.877 -12.869 4.401 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.663 -14.173 3.459 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -0.144 -14.942 3.044 1.00 0.55 H new ATOM 0 HG2 GLU A 51 -0.968 -14.212 5.874 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -1.199 -15.794 5.156 1.00 1.32 H new ATOM 809 N ASN A 52 -0.277 -12.460 1.337 1.00 0.43 N ATOM 810 CA ASN A 52 0.108 -12.261 -0.055 1.00 0.48 C ATOM 811 C ASN A 52 1.062 -11.081 -0.182 1.00 0.41 C ATOM 812 O ASN A 52 2.033 -11.126 -0.936 1.00 0.44 O ATOM 813 CB ASN A 52 -1.133 -12.023 -0.920 1.00 0.56 C ATOM 814 CG ASN A 52 -2.194 -13.091 -0.725 1.00 1.11 C ATOM 815 OD1 ASN A 52 -3.061 -12.962 0.137 1.00 1.96 O ATOM 816 ND2 ASN A 52 -2.130 -14.154 -1.511 1.00 1.31 N ATOM 0 H ASN A 52 -1.282 -12.411 1.504 1.00 0.43 H new ATOM 0 HA ASN A 52 0.616 -13.161 -0.402 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -1.556 -11.048 -0.681 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -0.840 -11.995 -1.969 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -2.816 -14.903 -1.413 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -1.395 -14.224 -2.215 1.00 1.31 H new ATOM 823 N MET A 53 0.799 -10.035 0.584 1.00 0.35 N ATOM 824 CA MET A 53 1.614 -8.832 0.526 1.00 0.35 C ATOM 825 C MET A 53 2.902 -8.996 1.325 1.00 0.34 C ATOM 826 O MET A 53 3.911 -8.364 1.017 1.00 0.35 O ATOM 827 CB MET A 53 0.825 -7.626 1.022 1.00 0.42 C ATOM 828 CG MET A 53 -0.432 -7.351 0.212 1.00 0.96 C ATOM 829 SD MET A 53 -0.108 -7.112 -1.548 1.00 1.28 S ATOM 830 CE MET A 53 0.973 -5.684 -1.520 1.00 0.79 C ATOM 0 H MET A 53 0.029 -9.994 1.252 1.00 0.35 H new ATOM 0 HA MET A 53 1.887 -8.664 -0.516 1.00 0.35 H new ATOM 0 HB2 MET A 53 0.549 -7.786 2.064 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.466 -6.745 0.994 1.00 0.42 H new ATOM 0 HG2 MET A 53 -1.126 -8.182 0.337 1.00 0.96 H new ATOM 0 HG3 MET A 53 -0.924 -6.463 0.608 1.00 0.96 H new ATOM 0 HE1 MET A 53 1.070 -5.281 -2.528 1.00 0.79 H new ATOM 0 HE2 MET A 53 0.553 -4.922 -0.863 1.00 0.79 H new ATOM 0 HE3 MET A 53 1.956 -5.979 -1.151 1.00 0.79 H new ATOM 840 N THR A 54 2.870 -9.847 2.343 1.00 0.37 N ATOM 841 CA THR A 54 4.071 -10.155 3.110 1.00 0.45 C ATOM 842 C THR A 54 5.057 -10.924 2.230 1.00 0.45 C ATOM 843 O THR A 54 6.265 -10.678 2.260 1.00 0.48 O ATOM 844 CB THR A 54 3.746 -10.980 4.373 1.00 0.55 C ATOM 845 OG1 THR A 54 2.721 -10.327 5.133 1.00 0.57 O ATOM 846 CG2 THR A 54 4.980 -11.151 5.244 1.00 0.72 C ATOM 0 H THR A 54 2.030 -10.334 2.656 1.00 0.37 H new ATOM 0 HA THR A 54 4.515 -9.213 3.433 1.00 0.45 H new ATOM 0 HB THR A 54 3.402 -11.964 4.054 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.858 -10.437 4.681 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.724 -11.736 6.127 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.755 -11.668 4.679 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.347 -10.172 5.551 1.00 0.72 H new ATOM 854 N LYS A 55 4.530 -11.842 1.427 1.00 0.46 N ATOM 855 CA LYS A 55 5.340 -12.561 0.449 1.00 0.52 C ATOM 856 C LYS A 55 5.834 -11.588 -0.607 1.00 0.41 C ATOM 857 O LYS A 55 6.963 -11.683 -1.078 1.00 0.42 O ATOM 858 CB LYS A 55 4.535 -13.689 -0.209 1.00 0.67 C ATOM 859 CG LYS A 55 4.523 -15.001 0.569 1.00 0.95 C ATOM 860 CD LYS A 55 4.144 -14.798 2.026 1.00 1.14 C ATOM 861 CE LYS A 55 3.808 -16.112 2.714 1.00 1.37 C ATOM 862 NZ LYS A 55 2.636 -16.795 2.101 1.00 1.49 N ATOM 0 H LYS A 55 3.545 -12.106 1.434 1.00 0.46 H new ATOM 0 HA LYS A 55 6.191 -13.010 0.961 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.507 -13.353 -0.343 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.942 -13.875 -1.203 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.819 -15.691 0.104 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.508 -15.465 0.512 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.967 -14.314 2.551 1.00 1.14 H new ATOM 0 HD3 LYS A 55 3.288 -14.127 2.088 1.00 1.14 H new ATOM 0 HE2 LYS A 55 4.674 -16.773 2.669 1.00 1.37 H new ATOM 0 HE3 LYS A 55 3.604 -15.924 3.768 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 1.952 -17.045 2.844 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 2.184 -16.159 1.414 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 2.952 -17.659 1.617 1.00 1.49 H new ATOM 876 N SER A 56 4.980 -10.637 -0.951 1.00 0.36 N ATOM 877 CA SER A 56 5.339 -9.587 -1.884 1.00 0.34 C ATOM 878 C SER A 56 6.461 -8.719 -1.316 1.00 0.28 C ATOM 879 O SER A 56 7.321 -8.252 -2.052 1.00 0.28 O ATOM 880 CB SER A 56 4.111 -8.740 -2.224 1.00 0.39 C ATOM 881 OG SER A 56 3.110 -9.527 -2.852 1.00 1.26 O ATOM 0 H SER A 56 4.027 -10.573 -0.593 1.00 0.36 H new ATOM 0 HA SER A 56 5.705 -10.047 -2.802 1.00 0.34 H new ATOM 0 HB2 SER A 56 3.710 -8.293 -1.315 1.00 0.39 H new ATOM 0 HB3 SER A 56 4.400 -7.920 -2.882 1.00 0.39 H new ATOM 0 HG SER A 56 2.764 -10.186 -2.215 1.00 1.26 H new ATOM 887 N HIS A 57 6.458 -8.526 0.000 1.00 0.29 N ATOM 888 CA HIS A 57 7.534 -7.802 0.669 1.00 0.30 C ATOM 889 C HIS A 57 8.841 -8.577 0.539 1.00 0.31 C ATOM 890 O HIS A 57 9.891 -7.996 0.275 1.00 0.34 O ATOM 891 CB HIS A 57 7.190 -7.574 2.150 1.00 0.35 C ATOM 892 CG HIS A 57 8.235 -6.817 2.928 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.629 -7.173 4.199 1.00 0.53 N ATOM 894 CD2 HIS A 57 8.943 -5.699 2.621 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.528 -6.311 4.640 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.738 -5.407 3.705 1.00 0.39 N ATOM 0 H HIS A 57 5.723 -8.861 0.623 1.00 0.29 H new ATOM 0 HA HIS A 57 7.652 -6.829 0.192 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.247 -7.031 2.211 1.00 0.35 H new ATOM 0 HB3 HIS A 57 7.032 -8.542 2.626 1.00 0.35 H new ATOM 0 HD2 HIS A 57 8.891 -5.142 1.697 1.00 0.34 H new ATOM 0 HE1 HIS A 57 10.010 -6.342 5.606 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.384 -4.620 3.774 1.00 0.39 H new ATOM 905 N GLN A 58 8.758 -9.894 0.699 1.00 0.32 N ATOM 906 CA GLN A 58 9.926 -10.766 0.585 1.00 0.37 C ATOM 907 C GLN A 58 10.393 -10.862 -0.865 1.00 0.33 C ATOM 908 O GLN A 58 11.565 -11.116 -1.146 1.00 0.37 O ATOM 909 CB GLN A 58 9.606 -12.156 1.132 1.00 0.46 C ATOM 910 CG GLN A 58 9.134 -12.135 2.574 1.00 1.24 C ATOM 911 CD GLN A 58 8.980 -13.522 3.164 1.00 1.77 C ATOM 912 OE1 GLN A 58 9.921 -14.077 3.730 1.00 2.36 O ATOM 913 NE2 GLN A 58 7.789 -14.087 3.045 1.00 2.26 N ATOM 0 H GLN A 58 7.889 -10.385 0.909 1.00 0.32 H new ATOM 0 HA GLN A 58 10.733 -10.333 1.176 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.837 -12.616 0.511 1.00 0.46 H new ATOM 0 HB3 GLN A 58 10.494 -12.783 1.056 1.00 0.46 H new ATOM 0 HG2 GLN A 58 9.844 -11.567 3.175 1.00 1.24 H new ATOM 0 HG3 GLN A 58 8.179 -11.613 2.631 1.00 1.24 H new ATOM 0 HE21 GLN A 58 7.035 -13.592 2.568 1.00 2.26 H new ATOM 0 HE22 GLN A 58 7.625 -15.017 3.430 1.00 2.26 H new ATOM 922 N ASN A 59 9.466 -10.631 -1.780 1.00 0.28 N ATOM 923 CA ASN A 59 9.759 -10.691 -3.203 1.00 0.28 C ATOM 924 C ASN A 59 10.376 -9.378 -3.639 1.00 0.29 C ATOM 925 O ASN A 59 11.470 -9.333 -4.193 1.00 0.34 O ATOM 926 CB ASN A 59 8.480 -10.941 -3.999 1.00 0.30 C ATOM 927 CG ASN A 59 8.727 -11.057 -5.493 1.00 0.38 C ATOM 928 OD1 ASN A 59 9.044 -12.135 -5.998 1.00 0.64 O ATOM 929 ND2 ASN A 59 8.558 -9.955 -6.214 1.00 0.83 N ATOM 0 H ASN A 59 8.497 -10.399 -1.561 1.00 0.28 H new ATOM 0 HA ASN A 59 10.454 -11.510 -3.390 1.00 0.28 H new ATOM 0 HB2 ASN A 59 8.009 -11.857 -3.642 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.778 -10.128 -3.814 1.00 0.30 H new ATOM 0 HD21 ASN A 59 8.691 -9.982 -7.225 1.00 0.83 H new ATOM 0 HD22 ASN A 59 8.295 -9.082 -5.757 1.00 0.83 H new ATOM 936 N LEU A 60 9.681 -8.307 -3.308 1.00 0.27 N ATOM 937 CA LEU A 60 10.052 -6.967 -3.726 1.00 0.28 C ATOM 938 C LEU A 60 11.407 -6.571 -3.142 1.00 0.34 C ATOM 939 O LEU A 60 12.162 -5.817 -3.758 1.00 0.43 O ATOM 940 CB LEU A 60 8.960 -5.995 -3.269 1.00 0.25 C ATOM 941 CG LEU A 60 9.197 -4.524 -3.591 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.379 -4.321 -5.081 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.047 -3.675 -3.070 1.00 0.33 C ATOM 0 H LEU A 60 8.836 -8.342 -2.737 1.00 0.27 H new ATOM 0 HA LEU A 60 10.143 -6.934 -4.812 1.00 0.28 H new ATOM 0 HB2 LEU A 60 8.017 -6.299 -3.724 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.840 -6.096 -2.190 1.00 0.25 H new ATOM 0 HG LEU A 60 10.114 -4.208 -3.093 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.547 -3.264 -5.286 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.238 -4.898 -5.425 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.484 -4.655 -5.606 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.231 -2.627 -3.308 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.117 -3.995 -3.539 1.00 0.33 H new ATOM 0 HD23 LEU A 60 7.968 -3.793 -1.989 1.00 0.33 H new ATOM 955 N CYS A 61 11.716 -7.131 -1.976 1.00 0.36 N ATOM 956 CA CYS A 61 12.927 -6.798 -1.232 1.00 0.48 C ATOM 957 C CYS A 61 14.196 -7.051 -2.045 1.00 0.58 C ATOM 958 O CYS A 61 15.233 -6.448 -1.777 1.00 0.92 O ATOM 959 CB CYS A 61 12.977 -7.603 0.070 1.00 0.54 C ATOM 960 SG CYS A 61 14.322 -7.138 1.183 1.00 1.20 S ATOM 0 H CYS A 61 11.132 -7.831 -1.519 1.00 0.36 H new ATOM 0 HA CYS A 61 12.888 -5.732 -1.010 1.00 0.48 H new ATOM 0 HB2 CYS A 61 12.029 -7.482 0.595 1.00 0.54 H new ATOM 0 HB3 CYS A 61 13.073 -8.661 -0.174 1.00 0.54 H new ATOM 0 HG CYS A 61 15.299 -6.628 0.494 1.00 1.20 H new ATOM 966 N THR A 62 14.126 -7.916 -3.052 1.00 0.54 N ATOM 967 CA THR A 62 15.318 -8.283 -3.804 1.00 0.76 C ATOM 968 C THR A 62 14.953 -8.624 -5.246 1.00 0.60 C ATOM 969 O THR A 62 15.607 -9.428 -5.909 1.00 0.82 O ATOM 970 CB THR A 62 16.058 -9.471 -3.133 1.00 1.11 C ATOM 971 OG1 THR A 62 16.102 -9.273 -1.713 1.00 1.27 O ATOM 972 CG2 THR A 62 17.487 -9.600 -3.652 1.00 1.45 C ATOM 0 H THR A 62 13.267 -8.370 -3.362 1.00 0.54 H new ATOM 0 HA THR A 62 15.993 -7.427 -3.808 1.00 0.76 H new ATOM 0 HB THR A 62 15.512 -10.383 -3.375 1.00 1.11 H new ATOM 0 HG1 THR A 62 16.568 -10.025 -1.292 1.00 1.27 H new ATOM 0 HG21 THR A 62 17.977 -10.441 -3.162 1.00 1.45 H new ATOM 0 HG22 THR A 62 17.469 -9.767 -4.729 1.00 1.45 H new ATOM 0 HG23 THR A 62 18.037 -8.684 -3.436 1.00 1.45 H new ATOM 980 N LYS A 63 13.898 -7.991 -5.731 1.00 0.50 N ATOM 981 CA LYS A 63 13.549 -8.075 -7.139 1.00 0.43 C ATOM 982 C LYS A 63 13.639 -6.704 -7.797 1.00 0.39 C ATOM 983 O LYS A 63 13.902 -6.595 -8.993 1.00 0.39 O ATOM 984 CB LYS A 63 12.145 -8.637 -7.308 1.00 0.45 C ATOM 985 CG LYS A 63 12.023 -10.111 -6.962 1.00 0.54 C ATOM 986 CD LYS A 63 12.767 -10.982 -7.955 1.00 0.68 C ATOM 987 CE LYS A 63 12.723 -12.444 -7.551 1.00 0.85 C ATOM 988 NZ LYS A 63 13.560 -12.722 -6.353 1.00 1.76 N ATOM 0 H LYS A 63 13.269 -7.414 -5.172 1.00 0.50 H new ATOM 0 HA LYS A 63 14.259 -8.745 -7.624 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.459 -8.069 -6.679 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.828 -8.489 -8.340 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.416 -10.284 -5.960 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.971 -10.395 -6.945 1.00 0.54 H new ATOM 0 HD2 LYS A 63 12.328 -10.863 -8.946 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.804 -10.653 -8.024 1.00 0.68 H new ATOM 0 HE2 LYS A 63 11.692 -12.732 -7.346 1.00 0.85 H new ATOM 0 HE3 LYS A 63 13.066 -13.059 -8.383 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 13.637 -13.750 -6.214 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 14.509 -12.319 -6.491 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 13.120 -12.291 -5.515 1.00 1.76 H new ATOM 1002 N GLY A 64 13.433 -5.661 -7.002 1.00 0.40 N ATOM 1003 CA GLY A 64 13.457 -4.310 -7.531 1.00 0.42 C ATOM 1004 C GLY A 64 12.084 -3.858 -7.981 1.00 0.37 C ATOM 1005 O GLY A 64 11.850 -2.674 -8.209 1.00 0.41 O ATOM 0 H GLY A 64 13.250 -5.726 -6.001 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.832 -3.628 -6.768 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.149 -4.261 -8.371 1.00 0.42 H new ATOM 1009 N GLN A 65 11.166 -4.810 -8.063 1.00 0.34 N ATOM 1010 CA GLN A 65 9.813 -4.556 -8.529 1.00 0.33 C ATOM 1011 C GLN A 65 8.943 -5.761 -8.193 1.00 0.34 C ATOM 1012 O GLN A 65 9.443 -6.881 -8.087 1.00 0.43 O ATOM 1013 CB GLN A 65 9.787 -4.280 -10.039 1.00 0.41 C ATOM 1014 CG GLN A 65 8.413 -3.874 -10.554 1.00 0.49 C ATOM 1015 CD GLN A 65 8.409 -3.505 -12.022 1.00 0.81 C ATOM 1016 OE1 GLN A 65 9.191 -4.029 -12.816 1.00 1.37 O ATOM 1017 NE2 GLN A 65 7.520 -2.599 -12.398 1.00 1.32 N ATOM 0 H GLN A 65 11.340 -5.782 -7.807 1.00 0.34 H new ATOM 0 HA GLN A 65 9.425 -3.668 -8.029 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.502 -3.490 -10.269 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.117 -5.173 -10.570 1.00 0.41 H new ATOM 0 HG2 GLN A 65 7.714 -4.695 -10.391 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.050 -3.026 -9.972 1.00 0.49 H new ATOM 0 HE21 GLN A 65 6.889 -2.188 -11.710 1.00 1.32 H new ATOM 0 HE22 GLN A 65 7.466 -2.312 -13.375 1.00 1.32 H new ATOM 1026 N VAL A 66 7.662 -5.525 -7.989 1.00 0.32 N ATOM 1027 CA VAL A 66 6.736 -6.591 -7.654 1.00 0.35 C ATOM 1028 C VAL A 66 5.359 -6.289 -8.227 1.00 0.33 C ATOM 1029 O VAL A 66 4.919 -5.141 -8.237 1.00 0.32 O ATOM 1030 CB VAL A 66 6.638 -6.798 -6.121 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.104 -5.558 -5.433 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.759 -7.981 -5.781 1.00 0.44 C ATOM 0 H VAL A 66 7.236 -4.600 -8.050 1.00 0.32 H new ATOM 0 HA VAL A 66 7.117 -7.513 -8.094 1.00 0.35 H new ATOM 0 HB VAL A 66 7.648 -6.995 -5.761 1.00 0.36 H new ATOM 0 HG11 VAL A 66 6.047 -5.734 -4.359 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.771 -4.718 -5.628 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.110 -5.329 -5.817 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.711 -8.099 -4.699 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.756 -7.813 -6.173 1.00 0.44 H new ATOM 0 HG23 VAL A 66 6.176 -8.884 -6.226 1.00 0.44 H new ATOM 1042 N VAL A 67 4.701 -7.309 -8.738 1.00 0.39 N ATOM 1043 CA VAL A 67 3.349 -7.160 -9.238 1.00 0.45 C ATOM 1044 C VAL A 67 2.399 -8.016 -8.403 1.00 0.49 C ATOM 1045 O VAL A 67 2.812 -9.026 -7.830 1.00 0.92 O ATOM 1046 CB VAL A 67 3.257 -7.543 -10.736 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.851 -7.334 -11.279 1.00 0.91 C ATOM 1048 CG2 VAL A 67 4.262 -6.737 -11.549 1.00 1.16 C ATOM 0 H VAL A 67 5.081 -8.252 -8.818 1.00 0.39 H new ATOM 0 HA VAL A 67 3.060 -6.113 -9.151 1.00 0.45 H new ATOM 0 HB VAL A 67 3.495 -8.603 -10.825 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.823 -7.613 -12.332 1.00 0.91 H new ATOM 0 HG12 VAL A 67 1.149 -7.954 -10.721 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.572 -6.286 -11.173 1.00 0.91 H new ATOM 0 HG21 VAL A 67 4.187 -7.016 -12.600 1.00 1.16 H new ATOM 0 HG22 VAL A 67 4.049 -5.674 -11.440 1.00 1.16 H new ATOM 0 HG23 VAL A 67 5.270 -6.944 -11.190 1.00 1.16 H new ATOM 1058 N SER A 68 1.143 -7.610 -8.335 1.00 0.52 N ATOM 1059 CA SER A 68 0.146 -8.310 -7.546 1.00 0.54 C ATOM 1060 C SER A 68 -1.237 -7.880 -8.015 1.00 0.53 C ATOM 1061 O SER A 68 -1.351 -7.087 -8.953 1.00 0.94 O ATOM 1062 CB SER A 68 0.336 -7.996 -6.055 1.00 0.58 C ATOM 1063 OG SER A 68 -0.426 -8.871 -5.236 1.00 1.39 O ATOM 0 H SER A 68 0.787 -6.788 -8.824 1.00 0.52 H new ATOM 0 HA SER A 68 0.255 -9.386 -7.679 1.00 0.54 H new ATOM 0 HB2 SER A 68 1.391 -8.081 -5.796 1.00 0.58 H new ATOM 0 HB3 SER A 68 0.042 -6.965 -5.859 1.00 0.58 H new ATOM 0 HG SER A 68 -0.281 -8.646 -4.293 1.00 1.39 H new ATOM 1069 N GLY A 69 -2.281 -8.379 -7.372 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.609 -8.084 -7.798 1.00 0.43 C ATOM 1071 C GLY A 69 -4.407 -7.489 -6.676 1.00 0.38 C ATOM 1072 O GLY A 69 -3.905 -7.335 -5.560 1.00 0.42 O ATOM 0 H GLY A 69 -2.218 -8.988 -6.556 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.581 -7.390 -8.638 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -4.093 -8.994 -8.152 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.635 -7.146 -6.980 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.533 -6.560 -6.026 1.00 0.43 C ATOM 1078 C GLN A 70 -6.708 -7.413 -4.776 1.00 0.35 C ATOM 1079 O GLN A 70 -6.934 -8.624 -4.834 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.849 -6.288 -6.719 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.506 -7.521 -7.319 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.791 -7.223 -8.067 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -10.126 -7.905 -9.033 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -10.535 -6.224 -7.617 1.00 1.31 N ATOM 0 H GLN A 70 -6.040 -7.269 -7.908 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.106 -5.624 -5.667 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.536 -5.836 -6.004 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -7.685 -5.556 -7.510 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.803 -8.002 -7.999 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -8.717 -8.234 -6.522 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -10.225 -5.679 -6.812 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -11.418 -5.999 -8.075 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.553 -6.741 -3.655 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.681 -7.324 -2.332 1.00 0.36 C ATOM 1095 C TYR A 71 -7.765 -6.585 -1.555 1.00 0.32 C ATOM 1096 O TYR A 71 -8.321 -5.606 -2.057 1.00 0.29 O ATOM 1097 CB TYR A 71 -5.343 -7.214 -1.603 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.711 -5.842 -1.715 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.409 -4.699 -1.348 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.415 -5.689 -2.191 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.832 -3.448 -1.454 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.834 -4.447 -2.301 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.562 -3.320 -1.907 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.970 -2.096 -2.060 1.00 0.68 O ATOM 0 H TYR A 71 -6.328 -5.746 -3.636 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.959 -8.375 -2.415 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.490 -7.454 -0.550 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.655 -7.957 -2.006 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.418 -4.789 -0.974 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.852 -6.564 -2.481 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.395 -2.570 -1.175 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.830 -4.344 -2.686 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.552 -2.043 -2.945 1.00 0.68 H new ATOM 1114 N ARG A 72 -8.063 -7.032 -0.342 1.00 0.36 N ATOM 1115 CA ARG A 72 -9.008 -6.310 0.497 1.00 0.33 C ATOM 1116 C ARG A 72 -8.244 -5.337 1.388 1.00 0.27 C ATOM 1117 O ARG A 72 -7.536 -5.759 2.299 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.827 -7.263 1.383 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.701 -8.262 0.637 1.00 0.65 C ATOM 1120 CD ARG A 72 -9.903 -9.475 0.186 1.00 1.06 C ATOM 1121 NE ARG A 72 -10.761 -10.583 -0.221 1.00 1.10 N ATOM 1122 CZ ARG A 72 -10.307 -11.740 -0.701 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -8.998 -11.953 -0.822 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -11.164 -12.693 -1.052 1.00 1.52 N ATOM 0 H ARG A 72 -7.672 -7.876 0.077 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.698 -5.776 -0.156 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -9.140 -7.815 2.024 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -10.464 -6.667 2.037 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -11.519 -8.583 1.282 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -11.150 -7.778 -0.230 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -9.258 -9.194 -0.646 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -9.253 -9.801 0.998 1.00 1.06 H new ATOM 0 HE ARG A 72 -11.770 -10.464 -0.133 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -8.336 -11.228 -0.546 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -8.658 -12.841 -1.190 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -12.167 -12.538 -0.954 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -10.818 -13.579 -1.420 1.00 1.52 H new ATOM 1138 N MET A 73 -8.365 -4.038 1.139 1.00 0.26 N ATOM 1139 CA MET A 73 -7.679 -3.069 1.988 1.00 0.26 C ATOM 1140 C MET A 73 -8.653 -2.423 2.963 1.00 0.23 C ATOM 1141 O MET A 73 -9.741 -2.002 2.576 1.00 0.24 O ATOM 1142 CB MET A 73 -6.964 -2.002 1.167 1.00 0.30 C ATOM 1143 CG MET A 73 -6.159 -1.033 2.021 1.00 0.35 C ATOM 1144 SD MET A 73 -4.475 -0.817 1.420 1.00 0.77 S ATOM 1145 CE MET A 73 -3.872 0.419 2.565 1.00 0.60 C ATOM 0 H MET A 73 -8.915 -3.638 0.379 1.00 0.26 H new ATOM 0 HA MET A 73 -6.923 -3.613 2.554 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.299 -2.487 0.453 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.700 -1.443 0.589 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.662 -0.066 2.039 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.131 -1.397 3.048 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.796 0.303 2.692 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.087 1.413 2.173 1.00 0.60 H new ATOM 0 HE3 MET A 73 -4.366 0.294 3.529 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.256 -2.367 4.229 1.00 0.22 N ATOM 1156 CA LEU A 74 -9.112 -1.841 5.280 1.00 0.25 C ATOM 1157 C LEU A 74 -9.222 -0.328 5.206 1.00 0.33 C ATOM 1158 O LEU A 74 -8.222 0.387 5.257 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.587 -2.244 6.650 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.521 -1.950 7.819 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -10.041 -3.253 8.386 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.814 -1.142 8.895 1.00 0.42 C ATOM 0 H LEU A 74 -7.341 -2.682 4.551 1.00 0.22 H new ATOM 0 HA LEU A 74 -10.104 -2.267 5.132 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -8.372 -3.312 6.638 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.641 -1.730 6.824 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.359 -1.354 7.458 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.709 -3.045 9.222 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.585 -3.795 7.613 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.204 -3.859 8.733 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.504 -0.947 9.716 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.957 -1.703 9.267 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.474 -0.196 8.475 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.444 0.140 5.068 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.732 1.557 5.112 1.00 0.26 C ATOM 1176 C ALA A 75 -10.953 2.024 6.538 1.00 0.31 C ATOM 1177 O ALA A 75 -11.133 1.224 7.454 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.946 1.880 4.253 1.00 0.29 C ATOM 0 H ALA A 75 -11.264 -0.449 4.923 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.869 2.089 4.712 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.149 2.950 4.297 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.749 1.591 3.221 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.811 1.331 4.625 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.954 3.334 6.679 1.00 0.28 N ATOM 1185 CA LYS A 76 -11.101 4.039 7.946 1.00 0.30 C ATOM 1186 C LYS A 76 -12.167 3.434 8.858 1.00 0.33 C ATOM 1187 O LYS A 76 -11.968 3.295 10.063 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.484 5.470 7.604 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.370 6.439 8.750 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.682 7.855 8.292 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.135 8.000 7.855 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.404 9.328 7.242 1.00 1.23 N ATOM 0 H LYS A 76 -10.849 3.966 5.885 1.00 0.28 H new ATOM 0 HA LYS A 76 -10.162 3.971 8.496 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.851 5.817 6.788 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.510 5.480 7.237 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -12.056 6.150 9.546 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.363 6.400 9.167 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.475 8.553 9.103 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -11.025 8.123 7.465 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.378 7.215 7.139 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.788 7.860 8.716 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.403 9.384 6.959 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.197 10.077 7.933 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -12.800 9.453 6.405 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.280 3.060 8.262 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.450 2.597 9.002 1.00 0.62 C ATOM 1208 C HIS A 77 -14.521 1.070 9.031 1.00 0.69 C ATOM 1209 O HIS A 77 -15.602 0.487 9.076 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.734 3.210 8.409 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.653 3.551 6.946 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.278 2.829 5.956 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -15.003 4.558 6.314 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -16.014 3.376 4.781 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.242 4.425 4.973 1.00 0.69 N ATOM 0 H HIS A 77 -13.406 3.066 7.250 1.00 0.44 H new ATOM 0 HA HIS A 77 -14.358 2.933 10.035 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.557 2.511 8.560 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.978 4.115 8.966 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -14.405 5.326 6.783 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.371 3.022 3.825 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -14.881 5.038 4.242 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.350 0.435 9.015 1.00 0.58 N ATOM 1225 CA GLY A 78 -13.270 -1.020 9.031 1.00 0.72 C ATOM 1226 C GLY A 78 -13.757 -1.635 7.738 1.00 0.76 C ATOM 1227 O GLY A 78 -14.100 -2.817 7.683 1.00 1.31 O ATOM 0 H GLY A 78 -12.446 0.907 8.991 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -12.238 -1.323 9.209 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.863 -1.405 9.860 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.807 -0.815 6.705 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.293 -1.258 5.418 1.00 0.37 C ATOM 1233 C GLY A 79 -13.238 -2.002 4.643 1.00 0.28 C ATOM 1234 O GLY A 79 -12.088 -2.065 5.064 1.00 0.29 O ATOM 0 H GLY A 79 -13.516 0.162 6.735 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -15.161 -1.902 5.560 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.627 -0.396 4.840 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.615 -2.552 3.510 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.677 -3.273 2.676 1.00 0.21 C ATOM 1240 C TYR A 80 -12.847 -2.872 1.230 1.00 0.22 C ATOM 1241 O TYR A 80 -13.894 -3.089 0.630 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.846 -4.783 2.839 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.306 -5.287 4.152 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.940 -5.445 4.335 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.151 -5.581 5.213 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.429 -5.886 5.534 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.647 -6.020 6.421 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.285 -6.172 6.576 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.777 -6.607 7.776 1.00 0.38 O ATOM 0 H TYR A 80 -14.566 -2.514 3.144 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.667 -3.013 2.994 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.903 -5.037 2.764 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -12.337 -5.292 2.021 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.266 -5.218 3.522 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.218 -5.465 5.092 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.363 -6.007 5.658 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.315 -6.243 7.240 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.512 -6.763 8.405 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.824 -2.261 0.680 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.860 -1.834 -0.702 1.00 0.28 C ATOM 1261 C VAL A 81 -10.849 -2.630 -1.508 1.00 0.26 C ATOM 1262 O VAL A 81 -9.778 -2.973 -1.004 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.595 -0.318 -0.844 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.883 0.466 -0.656 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.557 0.147 0.167 1.00 0.30 C ATOM 0 H VAL A 81 -10.954 -2.047 1.168 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.862 -2.022 -1.088 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.211 -0.136 -1.848 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.679 1.532 -0.759 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.608 0.161 -1.410 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.288 0.269 0.337 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.387 1.217 0.048 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.917 -0.053 1.176 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.623 -0.389 0.002 1.00 0.30 H new ATOM 1275 N TRP A 82 -11.205 -2.962 -2.735 1.00 0.28 N ATOM 1276 CA TRP A 82 -10.340 -3.768 -3.576 1.00 0.29 C ATOM 1277 C TRP A 82 -9.326 -2.916 -4.308 1.00 0.28 C ATOM 1278 O TRP A 82 -9.675 -2.119 -5.181 1.00 0.31 O ATOM 1279 CB TRP A 82 -11.154 -4.581 -4.570 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.836 -5.746 -3.936 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -13.058 -5.758 -3.328 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -11.319 -7.074 -3.829 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -13.337 -7.017 -2.858 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -12.281 -7.841 -3.149 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -10.128 -7.689 -4.242 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -12.096 -9.190 -2.879 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.949 -9.030 -3.966 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.925 -9.765 -3.289 1.00 0.52 C ATOM 0 H TRP A 82 -12.085 -2.687 -3.171 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.799 -4.452 -2.922 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.900 -3.937 -5.036 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.499 -4.937 -5.365 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.710 -4.902 -3.231 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -14.190 -7.294 -2.372 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.368 -7.126 -4.764 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.851 -9.765 -2.363 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -9.038 -9.519 -4.279 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.751 -10.811 -3.085 1.00 0.52 H new ATOM 1299 N LEU A 83 -8.071 -3.097 -3.947 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.995 -2.332 -4.544 1.00 0.28 C ATOM 1301 C LEU A 83 -5.907 -3.234 -5.093 1.00 0.29 C ATOM 1302 O LEU A 83 -5.564 -4.250 -4.494 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.381 -1.368 -3.526 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.273 -0.233 -3.027 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.946 -0.622 -1.732 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.458 1.037 -2.842 1.00 0.40 C ATOM 0 H LEU A 83 -7.771 -3.769 -3.241 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.428 -1.764 -5.367 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -6.055 -1.948 -2.663 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.488 -0.928 -3.970 1.00 0.28 H new ATOM 0 HG LEU A 83 -8.045 -0.044 -3.773 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.578 0.198 -1.390 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.558 -1.510 -1.892 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -7.188 -0.835 -0.978 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.107 1.837 -2.486 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.668 0.859 -2.113 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -6.014 1.326 -3.795 1.00 0.40 H new ATOM 1318 N GLU A 84 -5.385 -2.842 -6.237 1.00 0.32 N ATOM 1319 CA GLU A 84 -4.276 -3.534 -6.860 1.00 0.34 C ATOM 1320 C GLU A 84 -3.018 -2.706 -6.640 1.00 0.35 C ATOM 1321 O GLU A 84 -3.095 -1.486 -6.598 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.554 -3.705 -8.354 1.00 0.41 C ATOM 1323 CG GLU A 84 -4.044 -5.011 -8.914 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.433 -5.224 -10.361 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.798 -4.630 -11.255 1.00 0.88 O ATOM 1326 OE2 GLU A 84 -5.373 -6.008 -10.612 1.00 1.23 O ATOM 0 H GLU A 84 -5.718 -2.033 -6.762 1.00 0.32 H new ATOM 0 HA GLU A 84 -4.144 -4.524 -6.423 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -5.628 -3.640 -8.526 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -4.093 -2.880 -8.898 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -2.958 -5.038 -8.827 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.432 -5.834 -8.314 1.00 0.59 H new ATOM 1333 N THR A 85 -1.873 -3.337 -6.468 1.00 0.36 N ATOM 1334 CA THR A 85 -0.658 -2.577 -6.228 1.00 0.37 C ATOM 1335 C THR A 85 0.524 -3.105 -7.028 1.00 0.32 C ATOM 1336 O THR A 85 0.831 -4.298 -6.999 1.00 0.43 O ATOM 1337 CB THR A 85 -0.297 -2.559 -4.728 1.00 0.52 C ATOM 1338 OG1 THR A 85 -1.364 -1.964 -3.979 1.00 0.68 O ATOM 1339 CG2 THR A 85 0.988 -1.782 -4.478 1.00 0.60 C ATOM 0 H THR A 85 -1.756 -4.350 -6.489 1.00 0.36 H new ATOM 0 HA THR A 85 -0.865 -1.560 -6.561 1.00 0.37 H new ATOM 0 HB THR A 85 -0.145 -3.589 -4.406 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.120 -1.047 -3.733 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.215 -1.788 -3.412 1.00 0.60 H new ATOM 0 HG22 THR A 85 1.807 -2.248 -5.026 1.00 0.60 H new ATOM 0 HG23 THR A 85 0.863 -0.754 -4.817 1.00 0.60 H new ATOM 1347 N GLN A 86 1.167 -2.205 -7.757 1.00 0.29 N ATOM 1348 CA GLN A 86 2.435 -2.508 -8.392 1.00 0.35 C ATOM 1349 C GLN A 86 3.542 -1.924 -7.513 1.00 0.28 C ATOM 1350 O GLN A 86 3.490 -0.751 -7.123 1.00 0.30 O ATOM 1351 CB GLN A 86 2.467 -1.968 -9.842 1.00 0.50 C ATOM 1352 CG GLN A 86 3.115 -0.599 -10.035 1.00 0.70 C ATOM 1353 CD GLN A 86 4.628 -0.673 -10.168 1.00 1.06 C ATOM 1354 OE1 GLN A 86 5.178 -1.665 -10.648 1.00 1.95 O ATOM 1355 NE2 GLN A 86 5.312 0.379 -9.752 1.00 1.15 N ATOM 0 H GLN A 86 0.828 -1.257 -7.922 1.00 0.29 H new ATOM 0 HA GLN A 86 2.584 -3.584 -8.479 1.00 0.35 H new ATOM 0 HB2 GLN A 86 2.996 -2.689 -10.465 1.00 0.50 H new ATOM 0 HB3 GLN A 86 1.443 -1.918 -10.212 1.00 0.50 H new ATOM 0 HG2 GLN A 86 2.700 -0.129 -10.926 1.00 0.70 H new ATOM 0 HG3 GLN A 86 2.861 0.040 -9.189 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.822 1.183 -9.360 1.00 1.15 H new ATOM 0 HE22 GLN A 86 6.329 0.387 -9.823 1.00 1.15 H new ATOM 1364 N GLY A 87 4.501 -2.756 -7.152 1.00 0.27 N ATOM 1365 CA GLY A 87 5.513 -2.340 -6.208 1.00 0.26 C ATOM 1366 C GLY A 87 6.881 -2.173 -6.825 1.00 0.24 C ATOM 1367 O GLY A 87 7.182 -2.730 -7.880 1.00 0.27 O ATOM 0 H GLY A 87 4.598 -3.712 -7.495 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.210 -1.396 -5.755 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.573 -3.074 -5.405 1.00 0.26 H new ATOM 1371 N THR A 88 7.700 -1.392 -6.156 1.00 0.23 N ATOM 1372 CA THR A 88 9.065 -1.117 -6.586 1.00 0.22 C ATOM 1373 C THR A 88 9.927 -0.782 -5.370 1.00 0.25 C ATOM 1374 O THR A 88 9.473 -0.082 -4.473 1.00 0.36 O ATOM 1375 CB THR A 88 9.109 0.062 -7.590 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.216 -0.195 -8.683 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.514 0.271 -8.133 1.00 0.24 C ATOM 0 H THR A 88 7.440 -0.922 -5.289 1.00 0.23 H new ATOM 0 HA THR A 88 9.452 -2.006 -7.084 1.00 0.22 H new ATOM 0 HB THR A 88 8.802 0.964 -7.061 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.247 0.554 -9.314 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.513 1.105 -8.835 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.193 0.491 -7.309 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.845 -0.633 -8.645 1.00 0.24 H new ATOM 1385 N VAL A 89 11.144 -1.297 -5.310 1.00 0.28 N ATOM 1386 CA VAL A 89 12.044 -0.929 -4.225 1.00 0.31 C ATOM 1387 C VAL A 89 13.130 0.003 -4.719 1.00 0.30 C ATOM 1388 O VAL A 89 13.934 -0.350 -5.580 1.00 0.34 O ATOM 1389 CB VAL A 89 12.689 -2.148 -3.524 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.869 -1.721 -2.667 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.673 -2.855 -2.651 1.00 0.56 C ATOM 0 H VAL A 89 11.528 -1.959 -5.985 1.00 0.28 H new ATOM 0 HA VAL A 89 11.426 -0.420 -3.485 1.00 0.31 H new ATOM 0 HB VAL A 89 13.040 -2.828 -4.300 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.304 -2.596 -2.185 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.620 -1.241 -3.295 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.530 -1.019 -1.905 1.00 0.36 H new ATOM 0 HG21 VAL A 89 12.143 -3.710 -2.165 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.302 -2.165 -1.893 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.841 -3.199 -3.266 1.00 0.56 H new ATOM 1401 N ILE A 90 13.123 1.201 -4.180 1.00 0.27 N ATOM 1402 CA ILE A 90 14.171 2.143 -4.446 1.00 0.30 C ATOM 1403 C ILE A 90 15.317 1.856 -3.481 1.00 0.34 C ATOM 1404 O ILE A 90 15.176 1.991 -2.271 1.00 0.41 O ATOM 1405 CB ILE A 90 13.644 3.598 -4.342 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.653 4.590 -4.904 1.00 0.71 C ATOM 1407 CG2 ILE A 90 13.292 3.975 -2.916 1.00 0.73 C ATOM 1408 CD1 ILE A 90 14.029 5.914 -5.278 1.00 0.78 C ATOM 0 H ILE A 90 12.395 1.542 -3.552 1.00 0.27 H new ATOM 0 HA ILE A 90 14.539 2.036 -5.466 1.00 0.30 H new ATOM 0 HB ILE A 90 12.733 3.643 -4.938 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.438 4.759 -4.167 1.00 0.71 H new ATOM 0 HG13 ILE A 90 15.130 4.157 -5.784 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.927 5.002 -2.891 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.517 3.305 -2.543 1.00 0.73 H new ATOM 0 HG23 ILE A 90 14.178 3.889 -2.288 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.797 6.580 -5.672 1.00 0.78 H new ATOM 0 HD12 ILE A 90 13.263 5.754 -6.037 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.576 6.365 -4.395 1.00 0.78 H new ATOM 1420 N TYR A 91 16.411 1.333 -4.006 1.00 0.36 N ATOM 1421 CA TYR A 91 17.538 0.982 -3.161 1.00 0.42 C ATOM 1422 C TYR A 91 18.490 2.151 -3.003 1.00 0.48 C ATOM 1423 O TYR A 91 18.546 3.046 -3.847 1.00 0.58 O ATOM 1424 CB TYR A 91 18.326 -0.208 -3.703 1.00 0.51 C ATOM 1425 CG TYR A 91 17.532 -1.478 -3.919 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.890 -1.733 -5.126 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.453 -2.440 -2.922 1.00 0.55 C ATOM 1428 CE1 TYR A 91 16.187 -2.906 -5.327 1.00 0.61 C ATOM 1429 CE2 TYR A 91 16.757 -3.616 -3.115 1.00 0.76 C ATOM 1430 CZ TYR A 91 16.125 -3.845 -4.318 1.00 0.79 C ATOM 1431 OH TYR A 91 15.430 -5.017 -4.508 1.00 1.06 O ATOM 0 H TYR A 91 16.543 1.144 -5.000 1.00 0.36 H new ATOM 0 HA TYR A 91 17.111 0.711 -2.195 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.779 0.081 -4.651 1.00 0.51 H new ATOM 0 HB3 TYR A 91 19.142 -0.424 -3.013 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.942 -1.002 -5.920 1.00 0.45 H new ATOM 0 HD2 TYR A 91 17.946 -2.265 -1.977 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.689 -3.086 -6.268 1.00 0.61 H new ATOM 0 HE2 TYR A 91 16.708 -4.353 -2.327 1.00 0.76 H new ATOM 0 HH TYR A 91 15.454 -5.261 -5.457 1.00 1.06 H new ATOM 1441 N ASN A 92 19.224 2.135 -1.905 1.00 0.57 N ATOM 1442 CA ASN A 92 20.263 3.118 -1.657 1.00 0.71 C ATOM 1443 C ASN A 92 21.395 2.921 -2.656 1.00 0.69 C ATOM 1444 O ASN A 92 21.823 1.801 -2.880 1.00 0.63 O ATOM 1445 CB ASN A 92 20.810 2.943 -0.239 1.00 0.83 C ATOM 1446 CG ASN A 92 21.541 4.173 0.261 1.00 1.09 C ATOM 1447 OD1 ASN A 92 22.290 4.804 -0.475 1.00 1.77 O ATOM 1448 ND2 ASN A 92 21.332 4.521 1.514 1.00 1.50 N ATOM 0 H ASN A 92 19.117 1.443 -1.163 1.00 0.57 H new ATOM 0 HA ASN A 92 19.844 4.119 -1.766 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.987 2.714 0.438 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.487 2.089 -0.218 1.00 0.83 H new ATOM 0 HD21 ASN A 92 21.801 5.340 1.901 1.00 1.50 H new ATOM 0 HD22 ASN A 92 20.701 3.971 2.098 1.00 1.50 H new ATOM 1455 N PRO A 93 21.883 3.982 -3.293 1.00 0.84 N ATOM 1456 CA PRO A 93 23.028 3.862 -4.188 1.00 0.91 C ATOM 1457 C PRO A 93 24.333 3.560 -3.446 1.00 0.96 C ATOM 1458 O PRO A 93 25.170 2.808 -3.945 1.00 1.00 O ATOM 1459 CB PRO A 93 23.093 5.225 -4.881 1.00 1.13 C ATOM 1460 CG PRO A 93 22.383 6.165 -3.967 1.00 1.23 C ATOM 1461 CD PRO A 93 21.341 5.351 -3.248 1.00 1.00 C ATOM 0 HA PRO A 93 22.910 3.029 -4.881 1.00 0.91 H new ATOM 0 HB2 PRO A 93 24.125 5.536 -5.041 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.615 5.192 -5.860 1.00 1.13 H new ATOM 0 HG2 PRO A 93 23.078 6.619 -3.260 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.922 6.978 -4.528 1.00 1.23 H new ATOM 0 HD2 PRO A 93 21.201 5.694 -2.223 1.00 1.00 H new ATOM 0 HD3 PRO A 93 20.371 5.415 -3.741 1.00 1.00 H new ATOM 1469 N ARG A 94 24.517 4.145 -2.263 1.00 1.03 N ATOM 1470 CA ARG A 94 25.747 3.929 -1.503 1.00 1.13 C ATOM 1471 C ARG A 94 25.619 2.772 -0.507 1.00 1.04 C ATOM 1472 O ARG A 94 26.603 2.100 -0.204 1.00 1.16 O ATOM 1473 CB ARG A 94 26.184 5.210 -0.787 1.00 1.37 C ATOM 1474 CG ARG A 94 25.142 5.791 0.154 1.00 1.93 C ATOM 1475 CD ARG A 94 25.648 7.069 0.797 1.00 2.43 C ATOM 1476 NE ARG A 94 26.044 8.045 -0.214 1.00 3.09 N ATOM 1477 CZ ARG A 94 27.149 8.783 -0.159 1.00 3.87 C ATOM 1478 NH1 ARG A 94 27.951 8.715 0.893 1.00 4.14 N ATOM 1479 NH2 ARG A 94 27.446 9.601 -1.158 1.00 4.77 N ATOM 0 H ARG A 94 23.841 4.763 -1.815 1.00 1.03 H new ATOM 0 HA ARG A 94 26.517 3.653 -2.223 1.00 1.13 H new ATOM 0 HB2 ARG A 94 27.092 5.003 -0.221 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.439 5.961 -1.535 1.00 1.37 H new ATOM 0 HG2 ARG A 94 24.223 5.994 -0.395 1.00 1.93 H new ATOM 0 HG3 ARG A 94 24.897 5.062 0.927 1.00 1.93 H new ATOM 0 HD2 ARG A 94 24.870 7.493 1.431 1.00 2.43 H new ATOM 0 HD3 ARG A 94 26.497 6.844 1.442 1.00 2.43 H new ATOM 0 HE ARG A 94 25.430 8.170 -1.019 1.00 3.09 H new ATOM 0 HH11 ARG A 94 27.723 8.093 1.669 1.00 4.14 H new ATOM 0 HH12 ARG A 94 28.797 9.284 0.927 1.00 4.14 H new ATOM 0 HH21 ARG A 94 26.828 9.664 -1.967 1.00 4.77 H new ATOM 0 HH22 ARG A 94 28.293 10.168 -1.118 1.00 4.77 H new ATOM 1493 N ASN A 95 24.413 2.542 0.004 1.00 0.99 N ATOM 1494 CA ASN A 95 24.205 1.491 1.009 1.00 1.00 C ATOM 1495 C ASN A 95 23.536 0.267 0.397 1.00 0.85 C ATOM 1496 O ASN A 95 23.544 -0.812 0.986 1.00 0.92 O ATOM 1497 CB ASN A 95 23.367 1.998 2.187 1.00 1.15 C ATOM 1498 CG ASN A 95 24.046 3.107 2.969 1.00 1.58 C ATOM 1499 OD1 ASN A 95 25.267 3.236 2.957 1.00 2.23 O ATOM 1500 ND2 ASN A 95 23.256 3.903 3.672 1.00 1.99 N ATOM 0 H ASN A 95 23.572 3.059 -0.253 1.00 0.99 H new ATOM 0 HA ASN A 95 25.190 1.208 1.379 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.409 2.359 1.814 1.00 1.15 H new ATOM 0 HB3 ASN A 95 23.155 1.166 2.858 1.00 1.15 H new ATOM 0 HD21 ASN A 95 23.657 4.656 4.230 1.00 1.99 H new ATOM 0 HD22 ASN A 95 22.246 3.763 3.656 1.00 1.99 H new ATOM 1507 N LEU A 96 22.941 0.466 -0.778 1.00 0.72 N ATOM 1508 CA LEU A 96 22.348 -0.608 -1.589 1.00 0.63 C ATOM 1509 C LEU A 96 21.172 -1.330 -0.928 1.00 0.64 C ATOM 1510 O LEU A 96 20.521 -2.163 -1.557 1.00 0.67 O ATOM 1511 CB LEU A 96 23.415 -1.613 -1.992 1.00 0.74 C ATOM 1512 CG LEU A 96 24.452 -1.133 -3.023 1.00 0.86 C ATOM 1513 CD1 LEU A 96 23.769 -0.612 -4.280 1.00 1.22 C ATOM 1514 CD2 LEU A 96 25.375 -0.076 -2.434 1.00 1.76 C ATOM 0 H LEU A 96 22.854 1.389 -1.204 1.00 0.72 H new ATOM 0 HA LEU A 96 21.936 -0.115 -2.469 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.946 -1.926 -1.093 1.00 0.74 H new ATOM 0 HB3 LEU A 96 22.918 -2.497 -2.393 1.00 0.74 H new ATOM 0 HG LEU A 96 25.064 -1.992 -3.297 1.00 0.86 H new ATOM 0 HD11 LEU A 96 24.524 -0.279 -4.993 1.00 1.22 H new ATOM 0 HD12 LEU A 96 23.174 -1.408 -4.727 1.00 1.22 H new ATOM 0 HD13 LEU A 96 23.120 0.225 -4.021 1.00 1.22 H new ATOM 0 HD21 LEU A 96 26.095 0.240 -3.189 1.00 1.76 H new ATOM 0 HD22 LEU A 96 24.786 0.783 -2.112 1.00 1.76 H new ATOM 0 HD23 LEU A 96 25.907 -0.493 -1.579 1.00 1.76 H new ATOM 1526 N GLN A 97 20.896 -1.013 0.318 1.00 0.71 N ATOM 1527 CA GLN A 97 19.774 -1.610 1.026 1.00 0.76 C ATOM 1528 C GLN A 97 18.476 -0.979 0.548 1.00 0.64 C ATOM 1529 O GLN A 97 18.509 0.058 -0.122 1.00 0.61 O ATOM 1530 CB GLN A 97 19.952 -1.402 2.527 1.00 0.94 C ATOM 1531 CG GLN A 97 20.130 0.052 2.910 1.00 1.21 C ATOM 1532 CD GLN A 97 20.650 0.216 4.315 1.00 2.02 C ATOM 1533 OE1 GLN A 97 19.884 0.350 5.268 1.00 2.29 O ATOM 1534 NE2 GLN A 97 21.962 0.189 4.453 1.00 2.81 N ATOM 0 H GLN A 97 21.433 -0.343 0.868 1.00 0.71 H new ATOM 0 HA GLN A 97 19.736 -2.680 0.823 1.00 0.76 H new ATOM 0 HB2 GLN A 97 19.084 -1.805 3.049 1.00 0.94 H new ATOM 0 HB3 GLN A 97 20.819 -1.969 2.866 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.820 0.527 2.212 1.00 1.21 H new ATOM 0 HG3 GLN A 97 19.175 0.569 2.816 1.00 1.21 H new ATOM 0 HE21 GLN A 97 22.559 0.076 3.634 1.00 2.81 H new ATOM 0 HE22 GLN A 97 22.379 0.281 5.379 1.00 2.81 H new ATOM 1543 N PRO A 98 17.318 -1.585 0.864 1.00 0.62 N ATOM 1544 CA PRO A 98 16.029 -1.005 0.515 1.00 0.55 C ATOM 1545 C PRO A 98 15.862 0.369 1.138 1.00 0.55 C ATOM 1546 O PRO A 98 15.595 0.500 2.330 1.00 0.62 O ATOM 1547 CB PRO A 98 14.997 -1.989 1.078 1.00 0.60 C ATOM 1548 CG PRO A 98 15.744 -2.837 2.051 1.00 0.62 C ATOM 1549 CD PRO A 98 17.172 -2.866 1.575 1.00 0.72 C ATOM 0 HA PRO A 98 15.921 -0.862 -0.560 1.00 0.55 H new ATOM 0 HB2 PRO A 98 14.177 -1.462 1.566 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.559 -2.595 0.285 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.678 -2.424 3.058 1.00 0.62 H new ATOM 0 HG3 PRO A 98 15.327 -3.843 2.091 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.872 -2.946 2.407 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.360 -3.715 0.917 1.00 0.72 H new ATOM 1557 N GLN A 99 16.056 1.386 0.319 1.00 0.51 N ATOM 1558 CA GLN A 99 15.942 2.757 0.762 1.00 0.54 C ATOM 1559 C GLN A 99 14.490 3.048 1.082 1.00 0.50 C ATOM 1560 O GLN A 99 14.167 3.592 2.137 1.00 0.57 O ATOM 1561 CB GLN A 99 16.455 3.699 -0.334 1.00 0.56 C ATOM 1562 CG GLN A 99 15.871 5.097 -0.267 1.00 0.72 C ATOM 1563 CD GLN A 99 16.326 5.889 0.951 1.00 0.97 C ATOM 1564 OE1 GLN A 99 15.579 6.715 1.474 1.00 1.73 O ATOM 1565 NE2 GLN A 99 17.551 5.662 1.401 1.00 1.32 N ATOM 0 H GLN A 99 16.296 1.283 -0.667 1.00 0.51 H new ATOM 0 HA GLN A 99 16.544 2.914 1.657 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.541 3.766 -0.263 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.225 3.266 -1.308 1.00 0.56 H new ATOM 0 HG2 GLN A 99 16.149 5.642 -1.169 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.783 5.028 -0.259 1.00 0.72 H new ATOM 0 HE21 GLN A 99 18.143 4.969 0.942 1.00 1.32 H new ATOM 0 HE22 GLN A 99 17.903 6.180 2.206 1.00 1.32 H new ATOM 1574 N CYS A 100 13.623 2.630 0.173 1.00 0.43 N ATOM 1575 CA CYS A 100 12.189 2.862 0.297 1.00 0.41 C ATOM 1576 C CYS A 100 11.422 1.983 -0.684 1.00 0.35 C ATOM 1577 O CYS A 100 11.997 1.395 -1.599 1.00 0.39 O ATOM 1578 CB CYS A 100 11.837 4.339 0.048 1.00 0.45 C ATOM 1579 SG CYS A 100 12.168 5.453 1.435 1.00 0.64 S ATOM 0 H CYS A 100 13.891 2.122 -0.670 1.00 0.43 H new ATOM 0 HA CYS A 100 11.901 2.605 1.316 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.397 4.688 -0.820 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.779 4.406 -0.207 1.00 0.45 H new ATOM 0 HG CYS A 100 13.047 4.913 2.225 1.00 0.64 H new ATOM 1585 N ILE A 101 10.124 1.896 -0.476 1.00 0.29 N ATOM 1586 CA ILE A 101 9.241 1.141 -1.347 1.00 0.27 C ATOM 1587 C ILE A 101 8.254 2.091 -2.016 1.00 0.23 C ATOM 1588 O ILE A 101 7.581 2.878 -1.345 1.00 0.28 O ATOM 1589 CB ILE A 101 8.463 0.036 -0.581 1.00 0.35 C ATOM 1590 CG1 ILE A 101 9.352 -1.175 -0.273 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.246 -0.419 -1.373 1.00 0.37 C ATOM 1592 CD1 ILE A 101 10.468 -0.913 0.716 1.00 0.73 C ATOM 0 H ILE A 101 9.648 2.348 0.305 1.00 0.29 H new ATOM 0 HA ILE A 101 9.860 0.647 -2.096 1.00 0.27 H new ATOM 0 HB ILE A 101 8.137 0.474 0.362 1.00 0.35 H new ATOM 0 HG12 ILE A 101 8.725 -1.978 0.114 1.00 0.66 H new ATOM 0 HG13 ILE A 101 9.789 -1.533 -1.205 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.718 -1.193 -0.816 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.581 0.429 -1.536 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.567 -0.819 -2.335 1.00 0.37 H new ATOM 0 HD11 ILE A 101 11.041 -1.828 0.869 1.00 0.73 H new ATOM 0 HD12 ILE A 101 11.124 -0.135 0.326 1.00 0.73 H new ATOM 0 HD13 ILE A 101 10.044 -0.588 1.666 1.00 0.73 H new ATOM 1604 N MET A 102 8.170 2.010 -3.330 1.00 0.22 N ATOM 1605 CA MET A 102 7.291 2.867 -4.106 1.00 0.23 C ATOM 1606 C MET A 102 6.064 2.053 -4.484 1.00 0.22 C ATOM 1607 O MET A 102 6.191 1.030 -5.162 1.00 0.24 O ATOM 1608 CB MET A 102 7.983 3.340 -5.393 1.00 0.30 C ATOM 1609 CG MET A 102 9.449 3.738 -5.245 1.00 0.69 C ATOM 1610 SD MET A 102 9.700 5.366 -4.504 1.00 1.47 S ATOM 1611 CE MET A 102 9.689 4.980 -2.759 1.00 1.81 C ATOM 0 H MET A 102 8.708 1.349 -3.890 1.00 0.22 H new ATOM 0 HA MET A 102 7.025 3.743 -3.514 1.00 0.23 H new ATOM 0 HB2 MET A 102 7.914 2.544 -6.135 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.432 4.193 -5.788 1.00 0.30 H new ATOM 0 HG2 MET A 102 9.957 2.991 -4.635 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.920 3.722 -6.228 1.00 0.69 H new ATOM 0 HE1 MET A 102 10.008 5.854 -2.191 1.00 1.81 H new ATOM 0 HE2 MET A 102 8.681 4.698 -2.455 1.00 1.81 H new ATOM 0 HE3 MET A 102 10.371 4.152 -2.565 1.00 1.81 H new ATOM 1621 N CYS A 103 4.890 2.455 -4.024 1.00 0.25 N ATOM 1622 CA CYS A 103 3.687 1.690 -4.331 1.00 0.26 C ATOM 1623 C CYS A 103 2.636 2.516 -5.055 1.00 0.27 C ATOM 1624 O CYS A 103 2.216 3.573 -4.576 1.00 0.32 O ATOM 1625 CB CYS A 103 3.091 1.104 -3.054 1.00 0.31 C ATOM 1626 SG CYS A 103 4.084 -0.216 -2.324 1.00 0.39 S ATOM 0 H CYS A 103 4.742 3.285 -3.450 1.00 0.25 H new ATOM 0 HA CYS A 103 3.989 0.886 -5.002 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.970 1.902 -2.321 1.00 0.31 H new ATOM 0 HB3 CYS A 103 2.095 0.718 -3.273 1.00 0.31 H new ATOM 0 HG CYS A 103 3.301 -1.155 -1.883 1.00 0.39 H new ATOM 1632 N VAL A 104 2.220 2.020 -6.211 1.00 0.27 N ATOM 1633 CA VAL A 104 1.112 2.602 -6.947 1.00 0.28 C ATOM 1634 C VAL A 104 -0.140 1.783 -6.675 1.00 0.29 C ATOM 1635 O VAL A 104 -0.172 0.584 -6.959 1.00 0.29 O ATOM 1636 CB VAL A 104 1.383 2.624 -8.466 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.293 3.394 -9.191 1.00 0.35 C ATOM 1638 CG2 VAL A 104 2.749 3.221 -8.764 1.00 0.34 C ATOM 0 H VAL A 104 2.640 1.207 -6.662 1.00 0.27 H new ATOM 0 HA VAL A 104 0.984 3.632 -6.615 1.00 0.28 H new ATOM 0 HB VAL A 104 1.377 1.596 -8.827 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.501 3.399 -10.261 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.671 2.917 -9.011 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.265 4.419 -8.822 1.00 0.35 H new ATOM 0 HG21 VAL A 104 2.917 3.226 -9.841 1.00 0.34 H new ATOM 0 HG22 VAL A 104 2.790 4.243 -8.386 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.521 2.623 -8.279 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.154 2.415 -6.108 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.356 1.697 -5.711 1.00 0.30 C ATOM 1650 C ASN A 105 -3.499 1.991 -6.663 1.00 0.27 C ATOM 1651 O ASN A 105 -3.781 3.150 -6.973 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.761 2.052 -4.281 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.628 1.858 -3.298 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -1.407 0.763 -2.785 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.904 2.931 -3.027 1.00 0.63 N ATOM 0 H ASN A 105 -1.171 3.416 -5.913 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.132 0.631 -5.752 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -3.095 3.089 -4.247 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.608 1.435 -3.982 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.127 2.869 -2.369 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -1.123 3.820 -3.476 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.172 0.932 -7.083 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.239 1.012 -8.063 1.00 0.24 C ATOM 1664 C TYR A 106 -6.544 0.544 -7.428 1.00 0.25 C ATOM 1665 O TYR A 106 -6.768 -0.656 -7.272 1.00 0.26 O ATOM 1666 CB TYR A 106 -4.942 0.121 -9.282 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.571 0.298 -9.908 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -2.456 -0.362 -9.402 1.00 0.31 C ATOM 1669 CD2 TYR A 106 -3.390 1.150 -10.991 1.00 0.35 C ATOM 1670 CE1 TYR A 106 -1.202 -0.173 -9.956 1.00 0.35 C ATOM 1671 CE2 TYR A 106 -2.142 1.338 -11.554 1.00 0.40 C ATOM 1672 CZ TYR A 106 -1.060 0.566 -11.080 1.00 0.40 C ATOM 1673 OH TYR A 106 0.191 0.875 -11.587 1.00 0.48 O ATOM 0 H TYR A 106 -3.990 -0.015 -6.749 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.319 2.048 -8.393 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -5.053 -0.921 -8.983 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.697 0.316 -10.044 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -2.571 -1.033 -8.563 1.00 0.31 H new ATOM 0 HD2 TYR A 106 -4.241 1.675 -11.400 1.00 0.35 H new ATOM 0 HE1 TYR A 106 -0.335 -0.617 -9.490 1.00 0.35 H new ATOM 0 HE2 TYR A 106 -1.997 2.062 -12.342 1.00 0.40 H new ATOM 0 HH TYR A 106 0.091 1.413 -12.400 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.377 1.486 -7.033 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.685 1.155 -6.490 1.00 0.28 C ATOM 1685 C VAL A 107 -9.562 0.604 -7.611 1.00 0.33 C ATOM 1686 O VAL A 107 -10.005 1.346 -8.490 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.377 2.375 -5.849 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.713 1.982 -5.236 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.473 3.010 -4.807 1.00 0.62 C ATOM 0 H VAL A 107 -7.175 2.485 -7.076 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.545 0.410 -5.706 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.570 3.109 -6.632 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -11.181 2.860 -4.790 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.364 1.578 -6.011 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.552 1.227 -4.467 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.976 3.870 -4.364 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.247 2.281 -4.029 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.546 3.336 -5.279 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.778 -0.700 -7.592 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.485 -1.374 -8.672 1.00 0.39 C ATOM 1701 C LEU A 108 -11.984 -1.409 -8.414 1.00 0.44 C ATOM 1702 O LEU A 108 -12.779 -0.974 -9.246 1.00 0.60 O ATOM 1703 CB LEU A 108 -9.951 -2.800 -8.839 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.502 -2.901 -9.320 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -8.029 -4.338 -9.281 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.370 -2.370 -10.729 1.00 0.48 C ATOM 0 H LEU A 108 -9.473 -1.317 -6.839 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.312 -0.812 -9.590 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -10.037 -3.317 -7.883 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.589 -3.329 -9.546 1.00 0.44 H new ATOM 0 HG LEU A 108 -7.885 -2.300 -8.652 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.997 -4.391 -9.626 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -8.089 -4.713 -8.259 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.660 -4.946 -9.929 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.332 -2.451 -11.052 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -9.005 -2.951 -11.398 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -8.678 -1.325 -10.754 1.00 0.48 H new ATOM 1718 N SER A 109 -12.366 -1.909 -7.254 1.00 0.44 N ATOM 1719 CA SER A 109 -13.771 -2.101 -6.957 1.00 0.54 C ATOM 1720 C SER A 109 -14.239 -1.148 -5.862 1.00 0.64 C ATOM 1721 O SER A 109 -13.501 -0.257 -5.435 1.00 0.93 O ATOM 1722 CB SER A 109 -14.044 -3.551 -6.558 1.00 0.64 C ATOM 1723 OG SER A 109 -15.411 -3.883 -6.752 1.00 1.46 O ATOM 0 H SER A 109 -11.728 -2.187 -6.508 1.00 0.44 H new ATOM 0 HA SER A 109 -14.337 -1.877 -7.861 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.417 -4.219 -7.148 1.00 0.64 H new ATOM 0 HB3 SER A 109 -13.774 -3.701 -5.513 1.00 0.64 H new ATOM 0 HG SER A 109 -15.561 -4.816 -6.492 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.468 -1.356 -5.419 1.00 0.62 N ATOM 1730 CA GLU A 110 -16.134 -0.458 -4.487 1.00 0.74 C ATOM 1731 C GLU A 110 -15.823 -0.819 -3.040 1.00 0.59 C ATOM 1732 O GLU A 110 -14.879 -1.558 -2.757 1.00 0.55 O ATOM 1733 CB GLU A 110 -17.631 -0.537 -4.714 1.00 1.07 C ATOM 1734 CG GLU A 110 -18.022 -0.422 -6.174 1.00 1.46 C ATOM 1735 CD GLU A 110 -17.902 0.987 -6.710 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -16.766 1.443 -6.965 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -18.951 1.641 -6.888 1.00 2.94 O ATOM 0 H GLU A 110 -16.036 -2.157 -5.697 1.00 0.62 H new ATOM 0 HA GLU A 110 -15.770 0.554 -4.665 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -18.002 -1.483 -4.319 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -18.120 0.258 -4.150 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.391 -1.085 -6.766 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -19.049 -0.765 -6.297 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.631 -0.288 -2.132 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.490 -0.574 -0.714 1.00 0.59 C ATOM 1746 C ILE A 111 -17.257 -1.828 -0.354 1.00 0.58 C ATOM 1747 O ILE A 111 -18.489 -1.871 -0.403 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.972 0.605 0.160 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.230 1.891 -0.228 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.761 0.292 1.636 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.671 3.114 0.553 1.00 0.89 C ATOM 0 H ILE A 111 -17.396 0.348 -2.357 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.429 -0.726 -0.515 1.00 0.59 H new ATOM 0 HB ILE A 111 -18.038 0.754 -0.011 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.161 1.742 -0.077 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.379 2.078 -1.291 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -17.105 1.132 2.239 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.325 -0.602 1.903 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.701 0.121 1.824 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.101 3.982 0.222 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -17.733 3.291 0.383 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.496 2.949 1.616 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.500 -2.833 0.012 1.00 0.53 N ATOM 1764 CA GLU A 112 -17.027 -4.120 0.375 1.00 0.61 C ATOM 1765 C GLU A 112 -17.014 -4.245 1.892 1.00 0.64 C ATOM 1766 O GLU A 112 -16.036 -3.875 2.544 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.179 -5.208 -0.278 1.00 0.68 C ATOM 1768 CG GLU A 112 -16.548 -6.603 0.163 1.00 1.14 C ATOM 1769 CD GLU A 112 -15.685 -7.670 -0.479 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.801 -7.875 -1.705 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -14.873 -8.292 0.236 1.00 1.56 O ATOM 0 H GLU A 112 -15.483 -2.776 0.066 1.00 0.53 H new ATOM 0 HA GLU A 112 -18.054 -4.231 0.026 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -16.283 -5.138 -1.361 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.129 -5.028 -0.046 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -16.457 -6.672 1.247 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.593 -6.792 -0.082 1.00 1.14 H new