USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=33 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 70 GLN : amide:sc= -0.44 K(o=0.82,f=-2!) USER MOD Set 1.2: A 109 SER OG : rot 76:sc= 1.26 USER MOD Set 2.1: A 13 SER OG : rot 44:sc= 0.532 USER MOD Set 2.2: A 99 GLN : amide:sc= 0 X(o=1.2,f=1.3) USER MOD Set 2.3: A 100 CYS SG : rot 20:sc= 0.626 USER MOD Set 3.1: A 65 GLN : amide:sc= -0.642 K(o=-1.3,f=0.35) USER MOD Set 3.2: A 86 GLN : amide:sc= -0.607 X(o=-1.3,f=-0.84!) USER MOD Set 3.3: A 88 THR OG1 : rot 180:sc= -0.069 USER MOD Set 4.1: A 10 SER OG : rot 180:sc= -0.721! USER MOD Set 4.2: A 71 TYR OH : rot -168:sc= 1.33 USER MOD Set 4.3: A 85 THR OG1 : rot -104:sc= 1.52 USER MOD Set 4.4: A 105 ASN : amide:sc= 2.78 K(o=4.9,f=3.1) USER MOD Set 5.1: A 61 CYS SG : rot -19:sc= 0.0665 USER MOD Set 5.2: A 62 THR OG1 : rot 180:sc= -0.159 USER MOD Set 6.1: A 53 MET CE :methyl -166:sc= -0.0634 (180deg=-0.346) USER MOD Set 6.2: A 56 SER OG : rot 180:sc= -0.207 USER MOD Set 7.1: A 12 HIS : no HD1:sc= -2.1 X(o=-3.6,f=-4!) USER MOD Set 7.2: A 45 TYR OH : rot 85:sc= 0.306 USER MOD Set 7.3: A 103 CYS SG : rot -170:sc= -1.8 USER MOD Set 8.1: A 16 MET CE :methyl 160:sc= -2.75! (180deg=-3.62!) USER MOD Set 8.2: A 57 HIS : no HD1:sc= 0 X(o=-2.8,f=-3.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -102:sc= 0.465 USER MOD Single : A 14 MET CE :methyl 158:sc= -0.15 (180deg=-0.666) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 1.14 (180deg=0.831) USER MOD Single : A 19 THR OG1 : rot 170:sc= -0.421 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -24:sc= -1.93! USER MOD Single : A 26 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 31 TYR OH : rot 165:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -4! C(o=-4!,f=-8.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -6.93! C(o=-6.9!,f=-8.6!) USER MOD Single : A 50 SER OG : rot -104:sc= 0.612 USER MOD Single : A 52 ASN : amide:sc= -0.612 K(o=-0.61,f=-0.007) USER MOD Single : A 54 THR OG1 : rot 63:sc= 1.05 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -2.91! K(o=-2.9!,f=-1.4) USER MOD Single : A 59 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.045) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -113:sc= -0.957 (180deg=-2.71) USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0469) USER MOD Single : A 77 HIS : no HD1:sc= -0.613 X(o=-0.61,f=-0.28) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.547 USER MOD Single : A 91 TYR OH : rot -95:sc= 0.0842 USER MOD Single : A 92 ASN : amide:sc= 0.845 K(o=0.85,f=-6.9!) USER MOD Single : A 95 ASN : amide:sc= 0.139 K(o=0.14,f=-0.39) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl 157:sc= -0.203 (180deg=-0.817) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -8.393 5.249 -10.444 1.00 0.74 N ATOM 61 CA LYS A 6 -8.383 5.622 -9.028 1.00 0.49 C ATOM 62 C LYS A 6 -7.061 5.203 -8.395 1.00 0.39 C ATOM 63 O LYS A 6 -6.960 4.166 -7.740 1.00 0.48 O ATOM 64 CB LYS A 6 -9.575 5.008 -8.280 1.00 0.68 C ATOM 65 CG LYS A 6 -10.883 5.115 -9.050 1.00 0.95 C ATOM 66 CD LYS A 6 -12.094 4.850 -8.172 1.00 1.62 C ATOM 67 CE LYS A 6 -12.410 6.049 -7.288 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.712 5.896 -6.588 1.00 2.61 N ATOM 0 HA LYS A 6 -8.481 6.705 -8.953 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.366 3.958 -8.075 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.686 5.505 -7.316 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -10.965 6.111 -9.486 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -10.874 4.405 -9.877 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -12.956 4.620 -8.798 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -11.910 3.975 -7.549 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -11.616 6.177 -6.553 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -12.429 6.953 -7.896 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -13.889 6.733 -5.997 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -14.474 5.800 -7.289 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -13.685 5.048 -5.987 1.00 2.61 H new ATOM 82 N THR A 7 -6.041 6.014 -8.612 1.00 0.30 N ATOM 83 CA THR A 7 -4.684 5.629 -8.293 1.00 0.27 C ATOM 84 C THR A 7 -4.013 6.676 -7.425 1.00 0.21 C ATOM 85 O THR A 7 -4.002 7.860 -7.763 1.00 0.22 O ATOM 86 CB THR A 7 -3.874 5.432 -9.589 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.540 4.476 -10.426 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.457 4.956 -9.296 1.00 0.34 C ATOM 0 H THR A 7 -6.131 6.949 -9.011 1.00 0.30 H new ATOM 0 HA THR A 7 -4.718 4.691 -7.739 1.00 0.27 H new ATOM 0 HB THR A 7 -3.807 6.394 -10.097 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.083 3.611 -10.363 1.00 0.43 H new ATOM 0 HG21 THR A 7 -1.915 4.828 -10.233 1.00 0.34 H new ATOM 0 HG22 THR A 7 -1.945 5.695 -8.679 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.495 4.004 -8.766 1.00 0.34 H new ATOM 96 N PHE A 8 -3.466 6.243 -6.301 1.00 0.19 N ATOM 97 CA PHE A 8 -2.742 7.152 -5.432 1.00 0.18 C ATOM 98 C PHE A 8 -1.349 6.606 -5.147 1.00 0.19 C ATOM 99 O PHE A 8 -1.178 5.408 -4.893 1.00 0.22 O ATOM 100 CB PHE A 8 -3.525 7.418 -4.135 1.00 0.21 C ATOM 101 CG PHE A 8 -3.205 6.507 -2.977 1.00 0.23 C ATOM 102 CD1 PHE A 8 -3.794 5.258 -2.870 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.321 6.915 -1.990 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.505 4.433 -1.801 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.029 6.097 -0.919 1.00 0.36 C ATOM 106 CZ PHE A 8 -2.622 4.852 -0.825 1.00 0.40 C ATOM 0 H PHE A 8 -3.509 5.278 -5.973 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.632 8.110 -5.941 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.340 8.447 -3.826 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.590 7.337 -4.353 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.486 4.926 -3.630 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -1.855 7.887 -2.061 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -3.969 3.461 -1.728 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.340 6.428 -0.156 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.395 4.207 0.011 1.00 0.40 H new ATOM 116 N LEU A 9 -0.355 7.476 -5.232 1.00 0.18 N ATOM 117 CA LEU A 9 1.026 7.089 -5.006 1.00 0.20 C ATOM 118 C LEU A 9 1.338 7.084 -3.513 1.00 0.20 C ATOM 119 O LEU A 9 1.342 8.127 -2.863 1.00 0.33 O ATOM 120 CB LEU A 9 1.964 8.058 -5.743 1.00 0.22 C ATOM 121 CG LEU A 9 3.382 7.541 -6.046 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.221 7.430 -4.781 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.314 6.199 -6.756 1.00 0.37 C ATOM 0 H LEU A 9 -0.482 8.463 -5.458 1.00 0.18 H new ATOM 0 HA LEU A 9 1.180 6.082 -5.393 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.494 8.338 -6.686 1.00 0.22 H new ATOM 0 HB3 LEU A 9 2.052 8.967 -5.148 1.00 0.22 H new ATOM 0 HG LEU A 9 3.866 8.265 -6.701 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.215 7.062 -5.035 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.306 8.411 -4.313 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.744 6.737 -4.088 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.324 5.846 -6.964 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.801 5.477 -6.121 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.769 6.310 -7.693 1.00 0.37 H new ATOM 135 N SER A 10 1.561 5.906 -2.971 1.00 0.32 N ATOM 136 CA SER A 10 2.001 5.780 -1.599 1.00 0.32 C ATOM 137 C SER A 10 3.444 5.317 -1.558 1.00 0.28 C ATOM 138 O SER A 10 4.014 4.924 -2.578 1.00 0.29 O ATOM 139 CB SER A 10 1.115 4.814 -0.818 1.00 0.41 C ATOM 140 OG SER A 10 1.060 3.540 -1.430 1.00 1.10 O ATOM 0 H SER A 10 1.444 5.019 -3.462 1.00 0.32 H new ATOM 0 HA SER A 10 1.924 6.760 -1.128 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.495 4.713 0.198 1.00 0.41 H new ATOM 0 HB3 SER A 10 0.108 5.225 -0.742 1.00 0.41 H new ATOM 0 HG SER A 10 0.485 2.948 -0.902 1.00 1.10 H new ATOM 146 N ARG A 11 4.031 5.354 -0.381 1.00 0.28 N ATOM 147 CA ARG A 11 5.395 4.901 -0.236 1.00 0.30 C ATOM 148 C ARG A 11 5.633 4.387 1.170 1.00 0.21 C ATOM 149 O ARG A 11 5.007 4.829 2.136 1.00 0.21 O ATOM 150 CB ARG A 11 6.418 5.984 -0.616 1.00 0.51 C ATOM 151 CG ARG A 11 7.071 6.665 0.567 1.00 0.99 C ATOM 152 CD ARG A 11 8.528 7.019 0.299 1.00 1.00 C ATOM 153 NE ARG A 11 8.698 7.955 -0.814 1.00 1.28 N ATOM 154 CZ ARG A 11 9.833 8.615 -1.065 1.00 1.70 C ATOM 155 NH1 ARG A 11 10.876 8.481 -0.253 1.00 1.99 N ATOM 156 NH2 ARG A 11 9.925 9.417 -2.118 1.00 2.46 N ATOM 0 H ARG A 11 3.592 5.688 0.477 1.00 0.28 H new ATOM 0 HA ARG A 11 5.542 4.080 -0.938 1.00 0.30 H new ATOM 0 HB2 ARG A 11 7.194 5.533 -1.235 1.00 0.51 H new ATOM 0 HB3 ARG A 11 5.921 6.738 -1.226 1.00 0.51 H new ATOM 0 HG2 ARG A 11 6.518 7.572 0.812 1.00 0.99 H new ATOM 0 HG3 ARG A 11 7.012 6.011 1.437 1.00 0.99 H new ATOM 0 HD2 ARG A 11 8.962 7.453 1.200 1.00 1.00 H new ATOM 0 HD3 ARG A 11 9.084 6.106 0.086 1.00 1.00 H new ATOM 0 HE ARG A 11 7.904 8.113 -1.434 1.00 1.28 H new ATOM 0 HH11 ARG A 11 10.812 7.874 0.564 1.00 1.99 H new ATOM 0 HH12 ARG A 11 11.741 8.986 -0.446 1.00 1.99 H new ATOM 0 HH21 ARG A 11 9.127 9.533 -2.742 1.00 2.46 H new ATOM 0 HH22 ARG A 11 10.794 9.918 -2.303 1.00 2.46 H new ATOM 170 N HIS A 12 6.520 3.424 1.258 1.00 0.25 N ATOM 171 CA HIS A 12 6.881 2.809 2.515 1.00 0.32 C ATOM 172 C HIS A 12 8.378 2.950 2.725 1.00 0.32 C ATOM 173 O HIS A 12 9.078 3.466 1.860 1.00 0.36 O ATOM 174 CB HIS A 12 6.492 1.332 2.521 1.00 0.36 C ATOM 175 CG HIS A 12 5.020 1.079 2.407 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.244 0.725 3.478 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.192 1.089 1.336 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.012 0.524 3.082 1.00 0.86 C ATOM 179 NE2 HIS A 12 2.942 0.737 1.782 1.00 0.51 N ATOM 0 H HIS A 12 7.016 3.042 0.453 1.00 0.25 H new ATOM 0 HA HIS A 12 6.346 3.307 3.323 1.00 0.32 H new ATOM 0 HB2 HIS A 12 6.999 0.832 1.696 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.856 0.877 3.442 1.00 0.36 H new ATOM 0 HD2 HIS A 12 4.464 1.329 0.319 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.188 0.232 3.716 1.00 0.86 H new ATOM 0 HE2 HIS A 12 2.104 0.654 1.207 1.00 0.51 H new ATOM 188 N SER A 13 8.862 2.512 3.866 1.00 0.32 N ATOM 189 CA SER A 13 10.287 2.503 4.128 1.00 0.35 C ATOM 190 C SER A 13 10.646 1.237 4.889 1.00 0.43 C ATOM 191 O SER A 13 9.962 0.898 5.849 1.00 0.91 O ATOM 192 CB SER A 13 10.677 3.740 4.942 1.00 0.68 C ATOM 193 OG SER A 13 12.084 3.891 5.026 1.00 1.70 O ATOM 0 H SER A 13 8.289 2.156 4.631 1.00 0.32 H new ATOM 0 HA SER A 13 10.833 2.524 3.185 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.242 4.629 4.484 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.259 3.662 5.946 1.00 0.68 H new ATOM 0 HG SER A 13 12.483 3.732 4.145 1.00 1.70 H new ATOM 199 N MET A 14 11.704 0.558 4.428 1.00 0.27 N ATOM 200 CA MET A 14 12.213 -0.700 5.012 1.00 0.36 C ATOM 201 C MET A 14 11.106 -1.656 5.482 1.00 0.33 C ATOM 202 O MET A 14 10.684 -2.547 4.742 1.00 0.40 O ATOM 203 CB MET A 14 13.168 -0.398 6.172 1.00 0.56 C ATOM 204 CG MET A 14 14.336 0.496 5.781 1.00 1.35 C ATOM 205 SD MET A 14 15.521 0.739 7.118 1.00 1.76 S ATOM 206 CE MET A 14 16.139 -0.928 7.328 1.00 2.75 C ATOM 0 H MET A 14 12.245 0.870 3.622 1.00 0.27 H new ATOM 0 HA MET A 14 12.744 -1.212 4.210 1.00 0.36 H new ATOM 0 HB2 MET A 14 12.609 0.079 6.977 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.556 -1.337 6.566 1.00 0.56 H new ATOM 0 HG2 MET A 14 14.849 0.059 4.924 1.00 1.35 H new ATOM 0 HG3 MET A 14 13.953 1.466 5.463 1.00 1.35 H new ATOM 0 HE1 MET A 14 17.116 -0.896 7.810 1.00 2.75 H new ATOM 0 HE2 MET A 14 15.447 -1.497 7.948 1.00 2.75 H new ATOM 0 HE3 MET A 14 16.231 -1.407 6.353 1.00 2.75 H new ATOM 216 N ASP A 15 10.645 -1.442 6.712 1.00 0.36 N ATOM 217 CA ASP A 15 9.660 -2.304 7.367 1.00 0.41 C ATOM 218 C ASP A 15 8.292 -2.257 6.685 1.00 0.34 C ATOM 219 O ASP A 15 7.397 -3.027 7.046 1.00 0.41 O ATOM 220 CB ASP A 15 9.508 -1.887 8.829 1.00 0.56 C ATOM 221 CG ASP A 15 8.904 -0.505 8.967 1.00 1.18 C ATOM 222 OD1 ASP A 15 9.624 0.492 8.746 1.00 2.07 O ATOM 223 OD2 ASP A 15 7.706 -0.406 9.281 1.00 1.49 O ATOM 0 H ASP A 15 10.947 -0.657 7.289 1.00 0.36 H new ATOM 0 HA ASP A 15 10.028 -3.327 7.294 1.00 0.41 H new ATOM 0 HB2 ASP A 15 8.880 -2.610 9.348 1.00 0.56 H new ATOM 0 HB3 ASP A 15 10.484 -1.906 9.314 1.00 0.56 H new ATOM 228 N MET A 16 8.121 -1.337 5.730 1.00 0.29 N ATOM 229 CA MET A 16 6.918 -1.295 4.902 1.00 0.35 C ATOM 230 C MET A 16 5.688 -0.812 5.694 1.00 0.37 C ATOM 231 O MET A 16 4.565 -1.210 5.403 1.00 0.69 O ATOM 232 CB MET A 16 6.661 -2.694 4.294 1.00 0.49 C ATOM 233 CG MET A 16 5.524 -2.766 3.281 1.00 0.67 C ATOM 234 SD MET A 16 5.951 -2.076 1.675 1.00 0.73 S ATOM 235 CE MET A 16 6.955 -3.405 1.013 1.00 0.48 C ATOM 0 H MET A 16 8.804 -0.611 5.513 1.00 0.29 H new ATOM 0 HA MET A 16 7.082 -0.574 4.101 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.577 -3.036 3.812 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.448 -3.391 5.105 1.00 0.49 H new ATOM 0 HG2 MET A 16 5.227 -3.807 3.153 1.00 0.67 H new ATOM 0 HG3 MET A 16 4.659 -2.234 3.678 1.00 0.67 H new ATOM 0 HE1 MET A 16 7.007 -3.316 -0.072 1.00 0.48 H new ATOM 0 HE2 MET A 16 7.960 -3.344 1.430 1.00 0.48 H new ATOM 0 HE3 MET A 16 6.510 -4.364 1.278 1.00 0.48 H new ATOM 245 N LYS A 17 5.866 0.072 6.675 1.00 0.31 N ATOM 246 CA LYS A 17 4.697 0.564 7.410 1.00 0.31 C ATOM 247 C LYS A 17 3.890 1.589 6.608 1.00 0.27 C ATOM 248 O LYS A 17 2.752 1.322 6.287 1.00 0.29 O ATOM 249 CB LYS A 17 5.098 1.155 8.764 1.00 0.42 C ATOM 250 CG LYS A 17 6.203 2.193 8.699 1.00 0.59 C ATOM 251 CD LYS A 17 6.501 2.756 10.083 1.00 0.70 C ATOM 252 CE LYS A 17 7.854 3.449 10.144 1.00 0.98 C ATOM 253 NZ LYS A 17 8.967 2.477 10.322 1.00 1.40 N ATOM 0 H LYS A 17 6.766 0.450 6.972 1.00 0.31 H new ATOM 0 HA LYS A 17 4.057 -0.302 7.579 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.219 1.608 9.222 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.417 0.344 9.419 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.105 1.745 8.282 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.910 3.001 8.029 1.00 0.59 H new ATOM 0 HD2 LYS A 17 5.720 3.463 10.361 1.00 0.70 H new ATOM 0 HD3 LYS A 17 6.475 1.949 10.815 1.00 0.70 H new ATOM 0 HE2 LYS A 17 8.012 4.018 9.228 1.00 0.98 H new ATOM 0 HE3 LYS A 17 7.860 4.163 10.968 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 9.847 2.991 10.528 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 8.746 1.838 11.112 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 9.086 1.922 9.450 1.00 1.40 H new ATOM 267 N PHE A 18 4.513 2.713 6.237 1.00 0.29 N ATOM 268 CA PHE A 18 3.881 3.792 5.440 1.00 0.30 C ATOM 269 C PHE A 18 4.585 5.106 5.765 1.00 0.38 C ATOM 270 O PHE A 18 4.503 5.590 6.888 1.00 0.68 O ATOM 271 CB PHE A 18 2.372 3.964 5.733 1.00 0.27 C ATOM 272 CG PHE A 18 1.447 3.544 4.608 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.322 4.313 3.452 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.711 2.370 4.696 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.486 3.921 2.424 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.123 1.980 3.665 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.277 2.789 2.550 1.00 0.44 C ATOM 0 H PHE A 18 5.484 2.910 6.481 1.00 0.29 H new ATOM 0 HA PHE A 18 3.979 3.518 4.389 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.122 3.386 6.623 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.180 5.011 5.969 1.00 0.27 H new ATOM 0 HD1 PHE A 18 1.887 5.229 3.359 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.791 1.755 5.580 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.434 4.508 1.519 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.656 1.043 3.728 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.994 2.529 1.785 1.00 0.44 H new ATOM 287 N THR A 19 5.314 5.650 4.808 1.00 0.21 N ATOM 288 CA THR A 19 6.040 6.894 5.026 1.00 0.23 C ATOM 289 C THR A 19 5.511 8.027 4.156 1.00 0.22 C ATOM 290 O THR A 19 5.823 9.193 4.388 1.00 0.26 O ATOM 291 CB THR A 19 7.547 6.708 4.788 1.00 0.30 C ATOM 292 OG1 THR A 19 7.763 5.844 3.663 1.00 0.63 O ATOM 293 CG2 THR A 19 8.219 6.124 6.020 1.00 0.43 C ATOM 0 H THR A 19 5.421 5.254 3.874 1.00 0.21 H new ATOM 0 HA THR A 19 5.879 7.169 6.068 1.00 0.23 H new ATOM 0 HB THR A 19 7.985 7.685 4.583 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.712 5.858 3.418 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.285 6.001 5.829 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.077 6.797 6.865 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.777 5.154 6.250 1.00 0.43 H new ATOM 301 N TYR A 20 4.705 7.687 3.159 1.00 0.21 N ATOM 302 CA TYR A 20 4.092 8.698 2.307 1.00 0.23 C ATOM 303 C TYR A 20 2.769 8.205 1.753 1.00 0.21 C ATOM 304 O TYR A 20 2.615 7.026 1.424 1.00 0.22 O ATOM 305 CB TYR A 20 5.026 9.098 1.161 1.00 0.31 C ATOM 306 CG TYR A 20 4.444 10.132 0.218 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.549 11.493 0.490 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.789 9.746 -0.944 1.00 0.46 C ATOM 309 CE1 TYR A 20 4.019 12.436 -0.370 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.256 10.684 -1.808 1.00 0.57 C ATOM 311 CZ TYR A 20 3.374 12.033 -1.510 1.00 0.64 C ATOM 312 OH TYR A 20 2.838 12.961 -2.376 1.00 0.77 O ATOM 0 H TYR A 20 4.461 6.726 2.921 1.00 0.21 H new ATOM 0 HA TYR A 20 3.908 9.579 2.922 1.00 0.23 H new ATOM 0 HB2 TYR A 20 5.953 9.487 1.582 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.285 8.206 0.590 1.00 0.31 H new ATOM 0 HD1 TYR A 20 5.053 11.818 1.388 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.694 8.696 -1.176 1.00 0.46 H new ATOM 0 HE1 TYR A 20 4.113 13.488 -0.144 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.751 10.368 -2.709 1.00 0.57 H new ATOM 0 HH TYR A 20 2.419 12.499 -3.132 1.00 0.77 H new ATOM 322 N CYS A 21 1.812 9.113 1.681 1.00 0.19 N ATOM 323 CA CYS A 21 0.506 8.829 1.127 1.00 0.19 C ATOM 324 C CYS A 21 0.056 9.970 0.229 1.00 0.18 C ATOM 325 O CYS A 21 0.111 11.137 0.622 1.00 0.21 O ATOM 326 CB CYS A 21 -0.501 8.645 2.258 1.00 0.20 C ATOM 327 SG CYS A 21 -0.266 7.143 3.225 1.00 0.34 S ATOM 0 H CYS A 21 1.923 10.073 2.008 1.00 0.19 H new ATOM 0 HA CYS A 21 0.565 7.915 0.537 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.442 9.505 2.925 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.506 8.638 1.836 1.00 0.20 H new ATOM 0 HG CYS A 21 0.359 6.258 2.507 1.00 0.34 H new ATOM 333 N ASP A 22 -0.363 9.629 -0.978 1.00 0.17 N ATOM 334 CA ASP A 22 -0.961 10.603 -1.881 1.00 0.18 C ATOM 335 C ASP A 22 -2.278 11.089 -1.281 1.00 0.18 C ATOM 336 O ASP A 22 -2.956 10.338 -0.579 1.00 0.20 O ATOM 337 CB ASP A 22 -1.195 9.971 -3.258 1.00 0.20 C ATOM 338 CG ASP A 22 -1.544 10.973 -4.349 1.00 0.27 C ATOM 339 OD1 ASP A 22 -2.519 11.731 -4.186 1.00 0.55 O ATOM 340 OD2 ASP A 22 -0.859 10.979 -5.392 1.00 0.67 O ATOM 0 H ASP A 22 -0.301 8.684 -1.357 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.288 11.451 -2.009 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.298 9.426 -3.553 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.000 9.241 -3.179 1.00 0.20 H new ATOM 345 N ASP A 23 -2.645 12.329 -1.571 1.00 0.20 N ATOM 346 CA ASP A 23 -3.806 12.967 -0.948 1.00 0.23 C ATOM 347 C ASP A 23 -5.089 12.225 -1.288 1.00 0.21 C ATOM 348 O ASP A 23 -6.074 12.291 -0.550 1.00 0.23 O ATOM 349 CB ASP A 23 -3.930 14.423 -1.394 1.00 0.31 C ATOM 350 CG ASP A 23 -2.752 15.272 -0.966 1.00 1.33 C ATOM 351 OD1 ASP A 23 -2.644 15.588 0.238 1.00 2.12 O ATOM 352 OD2 ASP A 23 -1.935 15.648 -1.832 1.00 1.97 O ATOM 0 H ASP A 23 -2.153 12.922 -2.240 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.655 12.934 0.131 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -4.022 14.459 -2.480 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.846 14.847 -0.982 1.00 0.31 H new ATOM 357 N ARG A 24 -5.053 11.505 -2.404 1.00 0.20 N ATOM 358 CA ARG A 24 -6.205 10.751 -2.895 1.00 0.21 C ATOM 359 C ARG A 24 -6.716 9.751 -1.859 1.00 0.19 C ATOM 360 O ARG A 24 -7.883 9.363 -1.877 1.00 0.21 O ATOM 361 CB ARG A 24 -5.830 9.984 -4.158 1.00 0.24 C ATOM 362 CG ARG A 24 -5.240 10.839 -5.266 1.00 0.66 C ATOM 363 CD ARG A 24 -6.214 11.892 -5.762 1.00 1.23 C ATOM 364 NE ARG A 24 -5.576 12.813 -6.702 1.00 1.64 N ATOM 365 CZ ARG A 24 -6.222 13.753 -7.388 1.00 2.49 C ATOM 366 NH1 ARG A 24 -7.545 13.863 -7.299 1.00 3.22 N ATOM 367 NH2 ARG A 24 -5.544 14.579 -8.174 1.00 2.98 N ATOM 0 H ARG A 24 -4.225 11.426 -2.995 1.00 0.20 H new ATOM 0 HA ARG A 24 -6.993 11.474 -3.104 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.112 9.207 -3.896 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.719 9.481 -4.539 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -4.335 11.327 -4.903 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -4.945 10.199 -6.098 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -7.061 11.406 -6.246 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -6.609 12.452 -4.914 1.00 1.23 H new ATOM 0 HE ARG A 24 -4.569 12.729 -6.841 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -8.071 13.225 -6.702 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -8.033 14.586 -7.828 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -4.531 14.493 -8.251 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -6.036 15.300 -8.701 1.00 2.98 H new ATOM 381 N ILE A 25 -5.840 9.345 -0.951 1.00 0.17 N ATOM 382 CA ILE A 25 -6.162 8.296 0.010 1.00 0.18 C ATOM 383 C ILE A 25 -7.326 8.709 0.914 1.00 0.19 C ATOM 384 O ILE A 25 -8.086 7.863 1.375 1.00 0.21 O ATOM 385 CB ILE A 25 -4.936 7.906 0.871 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.255 6.661 1.698 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.509 9.055 1.777 1.00 0.19 C ATOM 388 CD1 ILE A 25 -4.062 6.083 2.417 1.00 0.76 C ATOM 0 H ILE A 25 -4.898 9.726 -0.858 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.461 7.422 -0.569 1.00 0.18 H new ATOM 0 HB ILE A 25 -4.104 7.685 0.202 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -6.023 6.910 2.431 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.676 5.899 1.042 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.646 8.750 2.369 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.244 9.919 1.168 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.331 9.318 2.443 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.369 5.203 2.982 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.301 5.801 1.690 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.653 6.828 3.100 1.00 0.76 H new ATOM 400 N THR A 26 -7.459 10.008 1.158 1.00 0.20 N ATOM 401 CA THR A 26 -8.587 10.535 1.922 1.00 0.22 C ATOM 402 C THR A 26 -9.919 10.087 1.318 1.00 0.25 C ATOM 403 O THR A 26 -10.886 9.822 2.031 1.00 0.31 O ATOM 404 CB THR A 26 -8.549 12.075 1.993 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.478 12.630 0.671 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.360 12.555 2.810 1.00 0.26 C ATOM 0 H THR A 26 -6.800 10.717 0.838 1.00 0.20 H new ATOM 0 HA THR A 26 -8.501 10.135 2.932 1.00 0.22 H new ATOM 0 HB THR A 26 -9.464 12.411 2.480 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.554 12.586 0.347 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.358 13.644 2.844 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.432 12.161 3.824 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.437 12.204 2.349 1.00 0.26 H new ATOM 414 N GLU A 27 -9.947 9.987 -0.003 1.00 0.25 N ATOM 415 CA GLU A 27 -11.146 9.574 -0.714 1.00 0.30 C ATOM 416 C GLU A 27 -11.165 8.065 -0.950 1.00 0.33 C ATOM 417 O GLU A 27 -12.217 7.486 -1.227 1.00 0.43 O ATOM 418 CB GLU A 27 -11.236 10.306 -2.051 1.00 0.38 C ATOM 419 CG GLU A 27 -11.237 11.819 -1.915 1.00 0.55 C ATOM 420 CD GLU A 27 -11.325 12.520 -3.250 1.00 1.43 C ATOM 421 OE1 GLU A 27 -12.448 12.708 -3.756 1.00 1.63 O ATOM 422 OE2 GLU A 27 -10.268 12.897 -3.796 1.00 2.28 O ATOM 0 H GLU A 27 -9.149 10.187 -0.606 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.006 9.830 -0.096 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.396 10.006 -2.678 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.145 9.995 -2.566 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -12.078 12.124 -1.292 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.329 12.135 -1.402 1.00 0.55 H new ATOM 429 N LEU A 28 -10.007 7.428 -0.831 1.00 0.27 N ATOM 430 CA LEU A 28 -9.885 6.011 -1.167 1.00 0.30 C ATOM 431 C LEU A 28 -9.955 5.109 0.070 1.00 0.31 C ATOM 432 O LEU A 28 -10.792 4.211 0.144 1.00 0.35 O ATOM 433 CB LEU A 28 -8.579 5.775 -1.927 1.00 0.30 C ATOM 434 CG LEU A 28 -8.420 6.618 -3.196 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.084 6.335 -3.864 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.568 6.361 -4.162 1.00 0.32 C ATOM 0 H LEU A 28 -9.144 7.864 -0.507 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.733 5.746 -1.799 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.743 5.984 -1.260 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.516 4.721 -2.196 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.444 7.670 -2.911 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -6.991 6.944 -4.763 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.274 6.578 -3.176 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.028 5.280 -4.132 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.435 6.970 -5.056 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.581 5.307 -4.440 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.512 6.622 -3.683 1.00 0.32 H new ATOM 448 N ILE A 29 -9.082 5.353 1.039 1.00 0.28 N ATOM 449 CA ILE A 29 -8.991 4.504 2.227 1.00 0.30 C ATOM 450 C ILE A 29 -9.582 5.227 3.443 1.00 0.29 C ATOM 451 O ILE A 29 -9.741 4.656 4.525 1.00 0.33 O ATOM 452 CB ILE A 29 -7.521 4.086 2.498 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.902 3.487 1.228 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.442 3.077 3.637 1.00 0.34 C ATOM 455 CD1 ILE A 29 -5.469 3.027 1.396 1.00 1.10 C ATOM 0 H ILE A 29 -8.424 6.133 1.028 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.569 3.598 2.047 1.00 0.30 H new ATOM 0 HB ILE A 29 -6.962 4.976 2.787 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -7.508 2.641 0.906 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -6.943 4.230 0.432 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.401 2.801 3.807 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.852 3.520 4.545 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -8.016 2.188 3.376 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -5.106 2.617 0.454 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -4.847 3.873 1.687 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -5.421 2.259 2.168 1.00 1.10 H new ATOM 467 N GLY A 30 -9.937 6.483 3.241 1.00 0.27 N ATOM 468 CA GLY A 30 -10.595 7.254 4.277 1.00 0.29 C ATOM 469 C GLY A 30 -9.654 7.903 5.280 1.00 0.28 C ATOM 470 O GLY A 30 -10.047 8.858 5.947 1.00 0.32 O ATOM 0 H GLY A 30 -9.780 6.989 2.370 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.195 8.032 3.806 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.284 6.602 4.814 1.00 0.29 H new ATOM 474 N TYR A 31 -8.427 7.404 5.415 1.00 0.28 N ATOM 475 CA TYR A 31 -7.482 7.997 6.345 1.00 0.33 C ATOM 476 C TYR A 31 -6.853 9.242 5.737 1.00 0.34 C ATOM 477 O TYR A 31 -7.131 9.598 4.591 1.00 0.43 O ATOM 478 CB TYR A 31 -6.384 7.002 6.719 1.00 0.38 C ATOM 479 CG TYR A 31 -6.857 5.781 7.470 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.141 5.842 8.826 1.00 0.45 C ATOM 481 CD2 TYR A 31 -6.988 4.562 6.825 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.549 4.718 9.518 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.399 3.436 7.507 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.674 3.517 8.854 1.00 0.46 C ATOM 485 OH TYR A 31 -8.084 2.397 9.538 1.00 0.53 O ATOM 0 H TYR A 31 -8.071 6.600 4.897 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.028 8.271 7.248 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.883 6.677 5.807 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.639 7.517 7.326 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.042 6.782 9.349 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.765 4.492 5.771 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -7.769 4.780 10.574 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.505 2.495 6.987 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.351 1.703 8.899 1.00 0.53 H new ATOM 495 N HIS A 32 -5.985 9.885 6.493 1.00 0.31 N ATOM 496 CA HIS A 32 -5.283 11.058 6.011 1.00 0.34 C ATOM 497 C HIS A 32 -3.869 10.632 5.693 1.00 0.23 C ATOM 498 O HIS A 32 -3.355 9.731 6.346 1.00 0.23 O ATOM 499 CB HIS A 32 -5.260 12.146 7.094 1.00 0.52 C ATOM 500 CG HIS A 32 -5.546 13.540 6.606 1.00 0.68 C ATOM 501 ND1 HIS A 32 -4.754 14.222 5.700 1.00 1.52 N ATOM 502 CD2 HIS A 32 -6.557 14.381 6.915 1.00 1.52 C ATOM 503 CE1 HIS A 32 -5.273 15.415 5.474 1.00 1.90 C ATOM 504 NE2 HIS A 32 -6.366 15.536 6.198 1.00 1.89 N ATOM 0 H HIS A 32 -5.748 9.613 7.447 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.780 11.465 5.130 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.991 11.889 7.860 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.281 12.139 7.573 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -7.367 14.181 7.601 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -4.870 16.164 4.809 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -6.973 16.356 6.222 1.00 1.89 H new ATOM 513 N PRO A 33 -3.221 11.217 4.684 1.00 0.24 N ATOM 514 CA PRO A 33 -1.798 10.991 4.468 1.00 0.27 C ATOM 515 C PRO A 33 -1.021 11.083 5.780 1.00 0.25 C ATOM 516 O PRO A 33 -0.251 10.193 6.111 1.00 0.29 O ATOM 517 CB PRO A 33 -1.412 12.115 3.513 1.00 0.34 C ATOM 518 CG PRO A 33 -2.651 12.366 2.722 1.00 0.33 C ATOM 519 CD PRO A 33 -3.808 12.087 3.648 1.00 0.29 C ATOM 0 HA PRO A 33 -1.575 10.000 4.072 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -1.098 13.007 4.055 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.581 11.823 2.870 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.681 13.394 2.362 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.690 11.720 1.845 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -4.209 13.006 4.076 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.628 11.593 3.127 1.00 0.29 H new ATOM 527 N GLU A 34 -1.324 12.117 6.567 1.00 0.25 N ATOM 528 CA GLU A 34 -0.633 12.399 7.821 1.00 0.30 C ATOM 529 C GLU A 34 -0.912 11.315 8.852 1.00 0.28 C ATOM 530 O GLU A 34 -0.205 11.185 9.851 1.00 0.32 O ATOM 531 CB GLU A 34 -1.107 13.739 8.381 1.00 0.37 C ATOM 532 CG GLU A 34 -2.188 14.392 7.559 1.00 1.01 C ATOM 533 CD GLU A 34 -1.679 15.098 6.327 1.00 1.68 C ATOM 534 OE1 GLU A 34 -0.974 16.116 6.463 1.00 2.14 O ATOM 535 OE2 GLU A 34 -2.008 14.640 5.216 1.00 2.13 O ATOM 0 H GLU A 34 -2.062 12.786 6.348 1.00 0.25 H new ATOM 0 HA GLU A 34 0.437 12.430 7.617 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -1.476 13.588 9.396 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.255 14.416 8.448 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -2.910 13.633 7.258 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -2.721 15.110 8.183 1.00 1.01 H new ATOM 542 N GLU A 35 -1.949 10.544 8.592 1.00 0.26 N ATOM 543 CA GLU A 35 -2.383 9.506 9.499 1.00 0.29 C ATOM 544 C GLU A 35 -1.493 8.294 9.331 1.00 0.29 C ATOM 545 O GLU A 35 -0.902 7.801 10.289 1.00 0.43 O ATOM 546 CB GLU A 35 -3.839 9.138 9.204 1.00 0.34 C ATOM 547 CG GLU A 35 -4.779 9.309 10.382 1.00 0.61 C ATOM 548 CD GLU A 35 -4.467 10.519 11.239 1.00 1.23 C ATOM 549 OE1 GLU A 35 -3.522 10.455 12.047 1.00 1.81 O ATOM 550 OE2 GLU A 35 -5.179 11.536 11.117 1.00 1.71 O ATOM 0 H GLU A 35 -2.513 10.621 7.746 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.314 9.863 10.527 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.196 9.752 8.378 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -3.879 8.101 8.871 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -5.801 9.391 10.011 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -4.736 8.414 11.003 1.00 0.61 H new ATOM 557 N LEU A 36 -1.402 7.826 8.097 1.00 0.27 N ATOM 558 CA LEU A 36 -0.598 6.659 7.795 1.00 0.29 C ATOM 559 C LEU A 36 0.889 6.963 7.880 1.00 0.32 C ATOM 560 O LEU A 36 1.707 6.047 7.943 1.00 0.46 O ATOM 561 CB LEU A 36 -0.917 6.084 6.413 1.00 0.29 C ATOM 562 CG LEU A 36 -2.332 5.547 6.241 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.279 6.665 5.863 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.368 4.439 5.201 1.00 0.29 C ATOM 0 H LEU A 36 -1.875 8.237 7.292 1.00 0.27 H new ATOM 0 HA LEU A 36 -0.852 5.915 8.550 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.748 6.860 5.667 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.213 5.280 6.201 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.656 5.127 7.193 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.286 6.264 5.744 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.280 7.422 6.647 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -2.954 7.115 4.925 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.389 4.072 5.096 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.022 4.828 4.243 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.719 3.622 5.517 1.00 0.29 H new ATOM 576 N LEU A 37 1.234 8.248 7.874 1.00 0.41 N ATOM 577 CA LEU A 37 2.626 8.664 7.865 1.00 0.48 C ATOM 578 C LEU A 37 3.363 8.231 9.126 1.00 0.60 C ATOM 579 O LEU A 37 3.405 8.954 10.123 1.00 1.27 O ATOM 580 CB LEU A 37 2.755 10.178 7.686 1.00 0.76 C ATOM 581 CG LEU A 37 2.450 10.729 6.289 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.358 11.902 5.980 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.604 9.654 5.224 1.00 0.94 C ATOM 0 H LEU A 37 0.564 9.017 7.875 1.00 0.41 H new ATOM 0 HA LEU A 37 3.089 8.166 7.013 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.088 10.664 8.398 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.771 10.468 7.953 1.00 0.76 H new ATOM 0 HG LEU A 37 1.413 11.066 6.280 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.132 12.285 4.985 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.199 12.689 6.717 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.398 11.577 6.016 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.381 10.077 4.245 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.627 9.278 5.232 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.915 8.835 5.431 1.00 0.94 H new ATOM 595 N GLY A 38 3.909 7.032 9.077 1.00 0.31 N ATOM 596 CA GLY A 38 4.744 6.546 10.142 1.00 0.44 C ATOM 597 C GLY A 38 3.997 5.618 11.068 1.00 0.42 C ATOM 598 O GLY A 38 4.135 5.712 12.288 1.00 0.54 O ATOM 0 H GLY A 38 3.785 6.378 8.304 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.602 6.023 9.720 1.00 0.44 H new ATOM 0 HA3 GLY A 38 5.133 7.390 10.711 1.00 0.44 H new ATOM 602 N ARG A 39 3.186 4.730 10.502 1.00 0.34 N ATOM 603 CA ARG A 39 2.479 3.755 11.314 1.00 0.37 C ATOM 604 C ARG A 39 2.460 2.387 10.646 1.00 0.35 C ATOM 605 O ARG A 39 2.222 2.279 9.442 1.00 0.48 O ATOM 606 CB ARG A 39 1.051 4.212 11.580 1.00 0.48 C ATOM 607 CG ARG A 39 0.210 4.341 10.326 1.00 0.48 C ATOM 608 CD ARG A 39 -1.259 4.504 10.675 1.00 0.69 C ATOM 609 NE ARG A 39 -1.797 3.302 11.324 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.600 3.313 12.390 1.00 1.72 C ATOM 611 NH1 ARG A 39 -2.913 4.454 12.991 1.00 1.80 N ATOM 612 NH2 ARG A 39 -3.068 2.168 12.879 1.00 2.61 N ATOM 0 H ARG A 39 3.006 4.667 9.500 1.00 0.34 H new ATOM 0 HA ARG A 39 3.012 3.671 12.261 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.572 3.504 12.257 1.00 0.48 H new ATOM 0 HB3 ARG A 39 1.076 5.175 12.091 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.547 5.198 9.743 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.344 3.458 9.701 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.383 5.362 11.336 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.828 4.714 9.769 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.539 2.396 10.933 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -2.539 5.335 12.639 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -3.528 4.450 13.805 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.813 1.284 12.439 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -3.682 2.174 13.694 1.00 2.61 H new ATOM 626 N SER A 40 2.784 1.366 11.436 1.00 0.37 N ATOM 627 CA SER A 40 2.684 -0.035 11.028 1.00 0.43 C ATOM 628 C SER A 40 1.462 -0.322 10.155 1.00 0.39 C ATOM 629 O SER A 40 0.322 -0.357 10.629 1.00 0.43 O ATOM 630 CB SER A 40 2.639 -0.913 12.275 1.00 0.57 C ATOM 631 OG SER A 40 3.775 -0.686 13.096 1.00 1.23 O ATOM 0 H SER A 40 3.127 1.489 12.389 1.00 0.37 H new ATOM 0 HA SER A 40 3.562 -0.260 10.422 1.00 0.43 H new ATOM 0 HB2 SER A 40 1.730 -0.704 12.839 1.00 0.57 H new ATOM 0 HB3 SER A 40 2.599 -1.963 11.984 1.00 0.57 H new ATOM 0 HG SER A 40 3.724 -1.258 13.890 1.00 1.23 H new ATOM 637 N ALA A 41 1.732 -0.496 8.865 1.00 0.35 N ATOM 638 CA ALA A 41 0.717 -0.873 7.891 1.00 0.34 C ATOM 639 C ALA A 41 -0.032 -2.112 8.321 1.00 0.33 C ATOM 640 O ALA A 41 -1.253 -2.139 8.274 1.00 0.33 O ATOM 641 CB ALA A 41 1.345 -1.128 6.532 1.00 0.35 C ATOM 0 H ALA A 41 2.663 -0.379 8.466 1.00 0.35 H new ATOM 0 HA ALA A 41 0.016 -0.041 7.824 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.569 -1.408 5.819 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.845 -0.223 6.187 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.072 -1.936 6.613 1.00 0.35 H new ATOM 647 N TYR A 42 0.722 -3.111 8.771 1.00 0.37 N ATOM 648 CA TYR A 42 0.208 -4.459 9.023 1.00 0.42 C ATOM 649 C TYR A 42 -1.008 -4.504 9.950 1.00 0.47 C ATOM 650 O TYR A 42 -1.638 -5.552 10.081 1.00 0.55 O ATOM 651 CB TYR A 42 1.322 -5.355 9.563 1.00 0.47 C ATOM 652 CG TYR A 42 2.353 -5.715 8.516 1.00 0.54 C ATOM 653 CD1 TYR A 42 3.427 -4.877 8.248 1.00 0.67 C ATOM 654 CD2 TYR A 42 2.244 -6.895 7.788 1.00 0.72 C ATOM 655 CE1 TYR A 42 4.360 -5.201 7.282 1.00 0.84 C ATOM 656 CE2 TYR A 42 3.175 -7.226 6.823 1.00 0.90 C ATOM 657 CZ TYR A 42 4.229 -6.377 6.574 1.00 0.91 C ATOM 658 OH TYR A 42 5.153 -6.701 5.611 1.00 1.14 O ATOM 0 H TYR A 42 1.716 -3.009 8.974 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.141 -4.832 8.060 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.816 -4.850 10.393 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.883 -6.270 9.962 1.00 0.47 H new ATOM 0 HD1 TYR A 42 3.535 -3.957 8.804 1.00 0.67 H new ATOM 0 HD2 TYR A 42 1.418 -7.563 7.980 1.00 0.72 H new ATOM 0 HE1 TYR A 42 5.188 -4.537 7.082 1.00 0.84 H new ATOM 0 HE2 TYR A 42 3.076 -8.146 6.267 1.00 0.90 H new ATOM 0 HH TYR A 42 4.916 -7.562 5.207 1.00 1.14 H new ATOM 668 N GLU A 43 -1.345 -3.392 10.592 1.00 0.48 N ATOM 669 CA GLU A 43 -2.586 -3.308 11.344 1.00 0.56 C ATOM 670 C GLU A 43 -3.769 -3.394 10.377 1.00 0.57 C ATOM 671 O GLU A 43 -4.543 -4.352 10.389 1.00 1.01 O ATOM 672 CB GLU A 43 -2.654 -1.976 12.101 1.00 0.65 C ATOM 673 CG GLU A 43 -1.492 -1.731 13.048 1.00 0.95 C ATOM 674 CD GLU A 43 -1.549 -2.603 14.280 1.00 1.72 C ATOM 675 OE1 GLU A 43 -1.004 -3.723 14.249 1.00 2.57 O ATOM 676 OE2 GLU A 43 -2.133 -2.166 15.293 1.00 1.89 O ATOM 0 H GLU A 43 -0.780 -2.543 10.606 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.626 -4.130 12.058 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.694 -1.162 11.377 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -3.583 -1.943 12.670 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -0.555 -1.914 12.522 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -1.489 -0.683 13.349 1.00 0.95 H new ATOM 683 N PHE A 44 -3.882 -2.371 9.539 1.00 0.40 N ATOM 684 CA PHE A 44 -4.966 -2.250 8.568 1.00 0.38 C ATOM 685 C PHE A 44 -4.639 -2.933 7.236 1.00 0.30 C ATOM 686 O PHE A 44 -5.520 -3.126 6.397 1.00 0.40 O ATOM 687 CB PHE A 44 -5.270 -0.766 8.329 1.00 0.48 C ATOM 688 CG PHE A 44 -4.055 0.060 8.012 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.632 0.217 6.701 1.00 0.62 C ATOM 690 CD2 PHE A 44 -3.338 0.682 9.021 1.00 0.50 C ATOM 691 CE1 PHE A 44 -2.518 0.977 6.405 1.00 0.77 C ATOM 692 CE2 PHE A 44 -2.224 1.443 8.729 1.00 0.56 C ATOM 693 CZ PHE A 44 -1.808 1.586 7.434 1.00 0.70 C ATOM 0 H PHE A 44 -3.220 -1.596 9.513 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.838 -2.755 8.983 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -5.981 -0.678 7.508 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.755 -0.357 9.216 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -4.180 -0.261 5.902 1.00 0.62 H new ATOM 0 HD2 PHE A 44 -3.654 0.570 10.048 1.00 0.50 H new ATOM 0 HE1 PHE A 44 -2.200 1.098 5.380 1.00 0.77 H new ATOM 0 HE2 PHE A 44 -1.679 1.927 9.526 1.00 0.56 H new ATOM 0 HZ PHE A 44 -0.928 2.172 7.211 1.00 0.70 H new ATOM 703 N TYR A 45 -3.365 -3.248 7.030 1.00 0.29 N ATOM 704 CA TYR A 45 -2.854 -3.774 5.761 1.00 0.28 C ATOM 705 C TYR A 45 -3.414 -5.147 5.396 1.00 0.30 C ATOM 706 O TYR A 45 -2.690 -6.143 5.414 1.00 0.37 O ATOM 707 CB TYR A 45 -1.329 -3.865 5.822 1.00 0.34 C ATOM 708 CG TYR A 45 -0.627 -3.307 4.609 1.00 0.42 C ATOM 709 CD1 TYR A 45 -1.053 -2.123 4.027 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.473 -3.953 4.058 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.409 -1.598 2.926 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.127 -3.433 2.959 1.00 0.68 C ATOM 713 CZ TYR A 45 0.682 -2.255 2.396 1.00 0.68 C ATOM 714 OH TYR A 45 1.332 -1.727 1.301 1.00 0.85 O ATOM 0 H TYR A 45 -2.646 -3.145 7.746 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.181 -3.079 4.988 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.980 -3.333 6.707 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -1.043 -4.910 5.945 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.903 -1.603 4.443 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.822 -4.876 4.496 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.757 -0.677 2.481 1.00 0.61 H new ATOM 0 HE2 TYR A 45 1.982 -3.945 2.543 1.00 0.68 H new ATOM 0 HH TYR A 45 1.991 -1.066 1.599 1.00 0.85 H new ATOM 724 N HIS A 46 -4.696 -5.167 5.044 1.00 0.28 N ATOM 725 CA HIS A 46 -5.361 -6.349 4.481 1.00 0.31 C ATOM 726 C HIS A 46 -5.527 -7.440 5.539 1.00 0.37 C ATOM 727 O HIS A 46 -4.547 -7.970 6.048 1.00 0.57 O ATOM 728 CB HIS A 46 -4.574 -6.896 3.274 1.00 0.37 C ATOM 729 CG HIS A 46 -3.933 -5.825 2.446 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.569 -5.691 2.333 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.466 -4.800 1.748 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.293 -4.629 1.600 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.424 -4.071 1.234 1.00 0.43 N ATOM 0 H HIS A 46 -5.312 -4.360 5.140 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.351 -6.044 4.142 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.803 -7.578 3.632 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.247 -7.478 2.644 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.518 -4.592 1.618 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.304 -4.278 1.344 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.513 -3.232 0.661 1.00 0.43 H new ATOM 742 N ALA A 47 -6.766 -7.777 5.868 1.00 0.39 N ATOM 743 CA ALA A 47 -7.018 -8.753 6.924 1.00 0.44 C ATOM 744 C ALA A 47 -6.529 -10.149 6.540 1.00 0.44 C ATOM 745 O ALA A 47 -5.631 -10.695 7.183 1.00 0.48 O ATOM 746 CB ALA A 47 -8.498 -8.788 7.272 1.00 0.57 C ATOM 0 H ALA A 47 -7.603 -7.396 5.427 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.453 -8.438 7.801 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.669 -9.521 8.061 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.814 -7.803 7.616 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -9.073 -9.065 6.388 1.00 0.57 H new ATOM 752 N LEU A 48 -7.102 -10.721 5.489 1.00 0.48 N ATOM 753 CA LEU A 48 -6.693 -12.045 5.032 1.00 0.53 C ATOM 754 C LEU A 48 -5.655 -11.947 3.921 1.00 0.48 C ATOM 755 O LEU A 48 -4.945 -12.909 3.631 1.00 0.52 O ATOM 756 CB LEU A 48 -7.918 -12.855 4.576 1.00 0.67 C ATOM 757 CG LEU A 48 -8.626 -12.357 3.313 1.00 0.76 C ATOM 758 CD1 LEU A 48 -8.096 -13.077 2.081 1.00 1.20 C ATOM 759 CD2 LEU A 48 -10.128 -12.550 3.440 1.00 0.99 C ATOM 0 H LEU A 48 -7.847 -10.293 4.939 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.229 -12.567 5.868 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.604 -13.886 4.409 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.642 -12.870 5.391 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.421 -11.292 3.199 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -8.612 -12.709 1.194 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -7.027 -12.890 1.982 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -8.269 -14.148 2.183 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.619 -12.192 2.535 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.348 -13.609 3.577 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -10.496 -11.988 4.299 1.00 0.99 H new ATOM 771 N ASP A 49 -5.546 -10.770 3.324 1.00 0.45 N ATOM 772 CA ASP A 49 -4.705 -10.590 2.145 1.00 0.45 C ATOM 773 C ASP A 49 -3.328 -10.081 2.554 1.00 0.41 C ATOM 774 O ASP A 49 -2.482 -9.772 1.712 1.00 0.49 O ATOM 775 CB ASP A 49 -5.347 -9.594 1.182 1.00 0.55 C ATOM 776 CG ASP A 49 -6.826 -9.843 0.989 1.00 0.91 C ATOM 777 OD1 ASP A 49 -7.611 -9.384 1.842 1.00 1.64 O ATOM 778 OD2 ASP A 49 -7.204 -10.485 -0.010 1.00 1.07 O ATOM 0 H ASP A 49 -6.027 -9.926 3.634 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.601 -11.554 1.647 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -5.199 -8.582 1.559 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -4.844 -9.651 0.217 1.00 0.55 H new ATOM 783 N SER A 50 -3.125 -9.974 3.859 1.00 0.36 N ATOM 784 CA SER A 50 -1.854 -9.599 4.428 1.00 0.35 C ATOM 785 C SER A 50 -0.747 -10.558 3.996 1.00 0.35 C ATOM 786 O SER A 50 0.358 -10.129 3.653 1.00 0.41 O ATOM 787 CB SER A 50 -2.010 -9.604 5.938 1.00 0.37 C ATOM 788 OG SER A 50 -2.926 -10.610 6.336 1.00 1.25 O ATOM 0 H SER A 50 -3.851 -10.149 4.554 1.00 0.36 H new ATOM 0 HA SER A 50 -1.566 -8.609 4.075 1.00 0.35 H new ATOM 0 HB2 SER A 50 -1.043 -9.777 6.409 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.360 -8.629 6.277 1.00 0.37 H new ATOM 0 HG SER A 50 -3.783 -10.197 6.573 1.00 1.25 H new ATOM 794 N GLU A 51 -1.060 -11.853 3.999 1.00 0.38 N ATOM 795 CA GLU A 51 -0.112 -12.884 3.587 1.00 0.45 C ATOM 796 C GLU A 51 0.410 -12.605 2.183 1.00 0.43 C ATOM 797 O GLU A 51 1.611 -12.672 1.934 1.00 0.47 O ATOM 798 CB GLU A 51 -0.772 -14.262 3.615 1.00 0.55 C ATOM 799 CG GLU A 51 -1.313 -14.663 4.972 1.00 1.32 C ATOM 800 CD GLU A 51 -2.006 -16.008 4.924 1.00 1.99 C ATOM 801 OE1 GLU A 51 -1.313 -17.041 5.020 1.00 2.49 O ATOM 802 OE2 GLU A 51 -3.245 -16.038 4.757 1.00 2.68 O ATOM 0 H GLU A 51 -1.970 -12.214 4.285 1.00 0.38 H new ATOM 0 HA GLU A 51 0.722 -12.870 4.288 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.588 -14.277 2.892 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -0.046 -15.007 3.291 1.00 0.55 H new ATOM 0 HG2 GLU A 51 -0.496 -14.700 5.693 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -2.013 -13.905 5.323 1.00 1.32 H new ATOM 809 N ASN A 52 -0.501 -12.270 1.280 1.00 0.43 N ATOM 810 CA ASN A 52 -0.151 -11.983 -0.109 1.00 0.48 C ATOM 811 C ASN A 52 0.880 -10.861 -0.180 1.00 0.41 C ATOM 812 O ASN A 52 1.855 -10.942 -0.924 1.00 0.44 O ATOM 813 CB ASN A 52 -1.402 -11.589 -0.903 1.00 0.56 C ATOM 814 CG ASN A 52 -2.471 -12.668 -0.907 1.00 1.11 C ATOM 815 OD1 ASN A 52 -3.665 -12.372 -0.882 1.00 1.96 O ATOM 816 ND2 ASN A 52 -2.059 -13.926 -0.957 1.00 1.31 N ATOM 0 H ASN A 52 -1.497 -12.189 1.485 1.00 0.43 H new ATOM 0 HA ASN A 52 0.279 -12.884 -0.546 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -1.819 -10.674 -0.481 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -1.117 -11.365 -1.931 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -2.740 -14.685 -0.976 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -1.061 -14.135 -0.977 1.00 1.31 H new ATOM 823 N MET A 53 0.675 -9.829 0.626 1.00 0.35 N ATOM 824 CA MET A 53 1.581 -8.687 0.640 1.00 0.35 C ATOM 825 C MET A 53 2.864 -9.009 1.394 1.00 0.34 C ATOM 826 O MET A 53 3.892 -8.367 1.185 1.00 0.35 O ATOM 827 CB MET A 53 0.900 -7.467 1.245 1.00 0.42 C ATOM 828 CG MET A 53 -0.333 -7.033 0.475 1.00 0.96 C ATOM 829 SD MET A 53 -0.001 -6.691 -1.264 1.00 1.28 S ATOM 830 CE MET A 53 1.199 -5.369 -1.141 1.00 0.79 C ATOM 0 H MET A 53 -0.107 -9.758 1.277 1.00 0.35 H new ATOM 0 HA MET A 53 1.846 -8.461 -0.393 1.00 0.35 H new ATOM 0 HB2 MET A 53 0.619 -7.688 2.275 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.610 -6.641 1.278 1.00 0.42 H new ATOM 0 HG2 MET A 53 -1.091 -7.813 0.547 1.00 0.96 H new ATOM 0 HG3 MET A 53 -0.749 -6.140 0.941 1.00 0.96 H new ATOM 0 HE1 MET A 53 1.312 -4.888 -2.113 1.00 0.79 H new ATOM 0 HE2 MET A 53 0.858 -4.635 -0.410 1.00 0.79 H new ATOM 0 HE3 MET A 53 2.159 -5.777 -0.825 1.00 0.79 H new ATOM 840 N THR A 54 2.805 -10.003 2.266 1.00 0.37 N ATOM 841 CA THR A 54 4.000 -10.494 2.932 1.00 0.45 C ATOM 842 C THR A 54 4.920 -11.137 1.897 1.00 0.45 C ATOM 843 O THR A 54 6.138 -10.946 1.912 1.00 0.48 O ATOM 844 CB THR A 54 3.648 -11.511 4.039 1.00 0.55 C ATOM 845 OG1 THR A 54 2.703 -10.932 4.950 1.00 0.57 O ATOM 846 CG2 THR A 54 4.894 -11.941 4.803 1.00 0.72 C ATOM 0 H THR A 54 1.945 -10.484 2.528 1.00 0.37 H new ATOM 0 HA THR A 54 4.507 -9.654 3.407 1.00 0.45 H new ATOM 0 HB THR A 54 3.211 -12.391 3.566 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.869 -10.736 4.475 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.617 -12.657 5.577 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.601 -12.405 4.115 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.357 -11.069 5.265 1.00 0.72 H new ATOM 854 N LYS A 55 4.317 -11.880 0.974 1.00 0.46 N ATOM 855 CA LYS A 55 5.049 -12.446 -0.152 1.00 0.52 C ATOM 856 C LYS A 55 5.519 -11.333 -1.082 1.00 0.41 C ATOM 857 O LYS A 55 6.589 -11.415 -1.671 1.00 0.42 O ATOM 858 CB LYS A 55 4.179 -13.442 -0.932 1.00 0.67 C ATOM 859 CG LYS A 55 4.074 -14.832 -0.311 1.00 0.95 C ATOM 860 CD LYS A 55 3.591 -14.787 1.129 1.00 1.14 C ATOM 861 CE LYS A 55 2.974 -16.106 1.559 1.00 1.37 C ATOM 862 NZ LYS A 55 3.968 -17.211 1.594 1.00 1.49 N ATOM 0 H LYS A 55 3.322 -12.104 0.985 1.00 0.46 H new ATOM 0 HA LYS A 55 5.914 -12.980 0.241 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.176 -13.027 -1.028 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.581 -13.541 -1.940 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.390 -15.441 -0.902 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.048 -15.319 -0.350 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.427 -14.546 1.785 1.00 1.14 H new ATOM 0 HD3 LYS A 55 2.857 -13.989 1.241 1.00 1.14 H new ATOM 0 HE2 LYS A 55 2.528 -15.991 2.547 1.00 1.37 H new ATOM 0 HE3 LYS A 55 2.168 -16.368 0.874 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 3.499 -18.090 1.893 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 4.376 -17.341 0.646 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 4.725 -16.976 2.267 1.00 1.49 H new ATOM 876 N SER A 56 4.707 -10.293 -1.207 1.00 0.36 N ATOM 877 CA SER A 56 5.085 -9.116 -1.974 1.00 0.34 C ATOM 878 C SER A 56 6.361 -8.499 -1.396 1.00 0.28 C ATOM 879 O SER A 56 7.298 -8.196 -2.130 1.00 0.28 O ATOM 880 CB SER A 56 3.938 -8.096 -1.973 1.00 0.39 C ATOM 881 OG SER A 56 4.261 -6.937 -2.724 1.00 1.26 O ATOM 0 H SER A 56 3.780 -10.241 -0.786 1.00 0.36 H new ATOM 0 HA SER A 56 5.282 -9.410 -3.005 1.00 0.34 H new ATOM 0 HB2 SER A 56 3.041 -8.558 -2.386 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.706 -7.811 -0.947 1.00 0.39 H new ATOM 0 HG SER A 56 3.507 -6.312 -2.702 1.00 1.26 H new ATOM 887 N HIS A 57 6.405 -8.355 -0.073 1.00 0.29 N ATOM 888 CA HIS A 57 7.565 -7.775 0.598 1.00 0.30 C ATOM 889 C HIS A 57 8.791 -8.678 0.455 1.00 0.31 C ATOM 890 O HIS A 57 9.902 -8.186 0.267 1.00 0.34 O ATOM 891 CB HIS A 57 7.256 -7.515 2.081 1.00 0.35 C ATOM 892 CG HIS A 57 8.350 -6.801 2.830 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.740 -7.158 4.100 1.00 0.53 N ATOM 894 CD2 HIS A 57 9.120 -5.735 2.492 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.696 -6.346 4.512 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.950 -5.476 3.555 1.00 0.39 N ATOM 0 H HIS A 57 5.651 -8.632 0.555 1.00 0.29 H new ATOM 0 HA HIS A 57 7.791 -6.822 0.119 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.341 -6.927 2.151 1.00 0.35 H new ATOM 0 HB3 HIS A 57 7.060 -8.469 2.571 1.00 0.35 H new ATOM 0 HD2 HIS A 57 9.086 -5.191 1.559 1.00 0.34 H new ATOM 0 HE1 HIS A 57 10.188 -6.388 5.473 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.648 -4.733 3.597 1.00 0.39 H new ATOM 905 N GLN A 58 8.591 -9.995 0.527 1.00 0.32 N ATOM 906 CA GLN A 58 9.707 -10.938 0.407 1.00 0.37 C ATOM 907 C GLN A 58 10.204 -11.002 -1.038 1.00 0.33 C ATOM 908 O GLN A 58 11.363 -11.318 -1.297 1.00 0.37 O ATOM 909 CB GLN A 58 9.314 -12.338 0.905 1.00 0.46 C ATOM 910 CG GLN A 58 8.404 -13.107 -0.031 1.00 1.24 C ATOM 911 CD GLN A 58 8.028 -14.470 0.518 1.00 1.77 C ATOM 912 OE1 GLN A 58 8.660 -15.477 0.205 1.00 2.36 O ATOM 913 NE2 GLN A 58 7.017 -14.509 1.375 1.00 2.26 N ATOM 0 H GLN A 58 7.679 -10.430 0.666 1.00 0.32 H new ATOM 0 HA GLN A 58 10.518 -10.575 1.039 1.00 0.37 H new ATOM 0 HB2 GLN A 58 10.221 -12.920 1.068 1.00 0.46 H new ATOM 0 HB3 GLN A 58 8.820 -12.240 1.872 1.00 0.46 H new ATOM 0 HG2 GLN A 58 7.498 -12.528 -0.210 1.00 1.24 H new ATOM 0 HG3 GLN A 58 8.899 -13.230 -0.994 1.00 1.24 H new ATOM 0 HE21 GLN A 58 6.515 -13.653 1.611 1.00 2.26 H new ATOM 0 HE22 GLN A 58 6.741 -15.395 1.798 1.00 2.26 H new ATOM 922 N ASN A 59 9.316 -10.680 -1.971 1.00 0.28 N ATOM 923 CA ASN A 59 9.641 -10.690 -3.393 1.00 0.28 C ATOM 924 C ASN A 59 10.337 -9.398 -3.769 1.00 0.29 C ATOM 925 O ASN A 59 11.430 -9.393 -4.330 1.00 0.34 O ATOM 926 CB ASN A 59 8.368 -10.836 -4.223 1.00 0.30 C ATOM 927 CG ASN A 59 8.625 -10.807 -5.721 1.00 0.38 C ATOM 928 OD1 ASN A 59 8.929 -11.833 -6.330 1.00 0.64 O ATOM 929 ND2 ASN A 59 8.481 -9.637 -6.328 1.00 0.83 N ATOM 0 H ASN A 59 8.355 -10.406 -1.765 1.00 0.28 H new ATOM 0 HA ASN A 59 10.301 -11.534 -3.595 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.878 -11.774 -3.963 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.678 -10.033 -3.963 1.00 0.30 H new ATOM 0 HD21 ASN A 59 8.623 -9.564 -7.335 1.00 0.83 H new ATOM 0 HD22 ASN A 59 8.228 -8.810 -5.788 1.00 0.83 H new ATOM 936 N LEU A 60 9.697 -8.303 -3.402 1.00 0.27 N ATOM 937 CA LEU A 60 10.143 -6.965 -3.759 1.00 0.28 C ATOM 938 C LEU A 60 11.491 -6.651 -3.113 1.00 0.34 C ATOM 939 O LEU A 60 12.253 -5.824 -3.614 1.00 0.43 O ATOM 940 CB LEU A 60 9.078 -5.952 -3.321 1.00 0.25 C ATOM 941 CG LEU A 60 9.359 -4.492 -3.657 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.551 -4.311 -5.149 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.227 -3.611 -3.149 1.00 0.33 C ATOM 0 H LEU A 60 8.844 -8.316 -2.842 1.00 0.27 H new ATOM 0 HA LEU A 60 10.277 -6.904 -4.839 1.00 0.28 H new ATOM 0 HB2 LEU A 60 8.130 -6.232 -3.779 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.948 -6.036 -2.242 1.00 0.25 H new ATOM 0 HG LEU A 60 10.282 -4.193 -3.161 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.750 -3.261 -5.366 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.393 -4.917 -5.484 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.648 -4.624 -5.673 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.438 -2.570 -3.394 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.292 -3.913 -3.620 1.00 0.33 H new ATOM 0 HD23 LEU A 60 8.139 -3.718 -2.068 1.00 0.33 H new ATOM 955 N CYS A 61 11.774 -7.344 -2.013 1.00 0.36 N ATOM 956 CA CYS A 61 12.984 -7.132 -1.227 1.00 0.48 C ATOM 957 C CYS A 61 14.258 -7.251 -2.068 1.00 0.58 C ATOM 958 O CYS A 61 15.258 -6.599 -1.771 1.00 0.92 O ATOM 959 CB CYS A 61 13.032 -8.135 -0.069 1.00 0.54 C ATOM 960 SG CYS A 61 14.495 -8.000 0.988 1.00 1.20 S ATOM 0 H CYS A 61 11.166 -8.073 -1.640 1.00 0.36 H new ATOM 0 HA CYS A 61 12.945 -6.113 -0.841 1.00 0.48 H new ATOM 0 HB2 CYS A 61 12.142 -8.002 0.546 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.988 -9.144 -0.478 1.00 0.54 H new ATOM 0 HG CYS A 61 15.433 -7.363 0.352 1.00 1.20 H new ATOM 966 N THR A 62 14.232 -8.053 -3.130 1.00 0.54 N ATOM 967 CA THR A 62 15.431 -8.266 -3.934 1.00 0.76 C ATOM 968 C THR A 62 15.053 -8.550 -5.386 1.00 0.60 C ATOM 969 O THR A 62 15.741 -9.271 -6.113 1.00 0.82 O ATOM 970 CB THR A 62 16.282 -9.432 -3.366 1.00 1.11 C ATOM 971 OG1 THR A 62 16.339 -9.343 -1.933 1.00 1.27 O ATOM 972 CG2 THR A 62 17.705 -9.397 -3.915 1.00 1.45 C ATOM 0 H THR A 62 13.406 -8.559 -3.450 1.00 0.54 H new ATOM 0 HA THR A 62 16.030 -7.356 -3.895 1.00 0.76 H new ATOM 0 HB THR A 62 15.809 -10.366 -3.669 1.00 1.11 H new ATOM 0 HG1 THR A 62 16.876 -10.083 -1.580 1.00 1.27 H new ATOM 0 HG21 THR A 62 18.276 -10.227 -3.498 1.00 1.45 H new ATOM 0 HG22 THR A 62 17.678 -9.484 -5.001 1.00 1.45 H new ATOM 0 HG23 THR A 62 18.179 -8.455 -3.638 1.00 1.45 H new ATOM 980 N LYS A 63 13.949 -7.959 -5.804 1.00 0.50 N ATOM 981 CA LYS A 63 13.539 -8.000 -7.195 1.00 0.43 C ATOM 982 C LYS A 63 13.584 -6.608 -7.803 1.00 0.39 C ATOM 983 O LYS A 63 13.755 -6.454 -9.012 1.00 0.39 O ATOM 984 CB LYS A 63 12.132 -8.563 -7.314 1.00 0.45 C ATOM 985 CG LYS A 63 12.065 -10.078 -7.273 1.00 0.54 C ATOM 986 CD LYS A 63 12.623 -10.689 -8.545 1.00 0.68 C ATOM 987 CE LYS A 63 12.471 -12.200 -8.551 1.00 0.85 C ATOM 988 NZ LYS A 63 13.004 -12.801 -9.800 1.00 1.76 N ATOM 0 H LYS A 63 13.316 -7.441 -5.195 1.00 0.50 H new ATOM 0 HA LYS A 63 14.230 -8.646 -7.736 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.522 -8.161 -6.505 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.691 -8.216 -8.248 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.626 -10.446 -6.414 1.00 0.54 H new ATOM 0 HG3 LYS A 63 11.031 -10.395 -7.138 1.00 0.54 H new ATOM 0 HD2 LYS A 63 12.108 -10.267 -9.408 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.677 -10.428 -8.643 1.00 0.68 H new ATOM 0 HE2 LYS A 63 12.994 -12.622 -7.692 1.00 0.85 H new ATOM 0 HE3 LYS A 63 11.418 -12.460 -8.442 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 12.883 -13.833 -9.768 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 12.488 -12.417 -10.618 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 14.015 -12.574 -9.891 1.00 1.76 H new ATOM 1002 N GLY A 64 13.415 -5.600 -6.954 1.00 0.40 N ATOM 1003 CA GLY A 64 13.398 -4.229 -7.425 1.00 0.42 C ATOM 1004 C GLY A 64 12.058 -3.864 -8.032 1.00 0.37 C ATOM 1005 O GLY A 64 11.834 -2.725 -8.445 1.00 0.41 O ATOM 0 H GLY A 64 13.289 -5.709 -5.948 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.618 -3.556 -6.596 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.184 -4.089 -8.167 1.00 0.42 H new ATOM 1009 N GLN A 65 11.158 -4.836 -8.064 1.00 0.34 N ATOM 1010 CA GLN A 65 9.841 -4.659 -8.649 1.00 0.33 C ATOM 1011 C GLN A 65 8.907 -5.749 -8.132 1.00 0.34 C ATOM 1012 O GLN A 65 9.360 -6.835 -7.772 1.00 0.43 O ATOM 1013 CB GLN A 65 9.914 -4.726 -10.177 1.00 0.41 C ATOM 1014 CG GLN A 65 8.739 -4.049 -10.860 1.00 0.49 C ATOM 1015 CD GLN A 65 8.998 -2.585 -11.167 1.00 0.81 C ATOM 1016 OE1 GLN A 65 8.437 -2.028 -12.109 1.00 1.37 O ATOM 1017 NE2 GLN A 65 9.864 -1.954 -10.392 1.00 1.32 N ATOM 0 H GLN A 65 11.322 -5.769 -7.685 1.00 0.34 H new ATOM 0 HA GLN A 65 9.459 -3.679 -8.364 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.840 -4.258 -10.511 1.00 0.41 H new ATOM 0 HB3 GLN A 65 9.955 -5.770 -10.487 1.00 0.41 H new ATOM 0 HG2 GLN A 65 8.512 -4.575 -11.787 1.00 0.49 H new ATOM 0 HG3 GLN A 65 7.858 -4.131 -10.223 1.00 0.49 H new ATOM 0 HE21 GLN A 65 10.311 -2.447 -9.619 1.00 1.32 H new ATOM 0 HE22 GLN A 65 10.085 -0.974 -10.567 1.00 1.32 H new ATOM 1026 N VAL A 66 7.618 -5.453 -8.062 1.00 0.32 N ATOM 1027 CA VAL A 66 6.637 -6.427 -7.610 1.00 0.35 C ATOM 1028 C VAL A 66 5.251 -6.075 -8.148 1.00 0.33 C ATOM 1029 O VAL A 66 4.919 -4.900 -8.299 1.00 0.32 O ATOM 1030 CB VAL A 66 6.596 -6.508 -6.064 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.100 -5.210 -5.461 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.727 -7.653 -5.599 1.00 0.44 C ATOM 0 H VAL A 66 7.227 -4.545 -8.313 1.00 0.32 H new ATOM 0 HA VAL A 66 6.935 -7.402 -7.996 1.00 0.35 H new ATOM 0 HB VAL A 66 7.616 -6.684 -5.723 1.00 0.36 H new ATOM 0 HG11 VAL A 66 6.082 -5.297 -4.375 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.766 -4.397 -5.749 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.094 -5.001 -5.825 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.718 -7.684 -4.509 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.711 -7.511 -5.966 1.00 0.44 H new ATOM 0 HG23 VAL A 66 6.124 -8.592 -5.985 1.00 0.44 H new ATOM 1042 N VAL A 67 4.460 -7.088 -8.462 1.00 0.39 N ATOM 1043 CA VAL A 67 3.086 -6.877 -8.889 1.00 0.45 C ATOM 1044 C VAL A 67 2.142 -7.651 -7.972 1.00 0.49 C ATOM 1045 O VAL A 67 2.545 -8.632 -7.343 1.00 0.92 O ATOM 1046 CB VAL A 67 2.883 -7.315 -10.364 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.477 -6.999 -10.853 1.00 0.91 C ATOM 1048 CG2 VAL A 67 3.913 -6.651 -11.266 1.00 1.16 C ATOM 0 H VAL A 67 4.746 -8.066 -8.429 1.00 0.39 H new ATOM 0 HA VAL A 67 2.863 -5.812 -8.825 1.00 0.45 H new ATOM 0 HB VAL A 67 3.019 -8.396 -10.406 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.372 -7.320 -11.889 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.750 -7.525 -10.235 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.301 -5.925 -10.786 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.754 -6.970 -12.296 1.00 1.16 H new ATOM 0 HG22 VAL A 67 3.809 -5.568 -11.202 1.00 1.16 H new ATOM 0 HG23 VAL A 67 4.915 -6.938 -10.947 1.00 1.16 H new ATOM 1058 N SER A 68 0.898 -7.209 -7.897 1.00 0.52 N ATOM 1059 CA SER A 68 -0.103 -7.853 -7.066 1.00 0.54 C ATOM 1060 C SER A 68 -1.485 -7.428 -7.536 1.00 0.53 C ATOM 1061 O SER A 68 -1.638 -6.356 -8.127 1.00 0.94 O ATOM 1062 CB SER A 68 0.100 -7.481 -5.591 1.00 0.58 C ATOM 1063 OG SER A 68 -0.749 -8.243 -4.748 1.00 1.39 O ATOM 0 H SER A 68 0.555 -6.396 -8.409 1.00 0.52 H new ATOM 0 HA SER A 68 -0.005 -8.935 -7.155 1.00 0.54 H new ATOM 0 HB2 SER A 68 1.140 -7.648 -5.311 1.00 0.58 H new ATOM 0 HB3 SER A 68 -0.101 -6.419 -5.450 1.00 0.58 H new ATOM 0 HG SER A 68 -0.598 -7.987 -3.814 1.00 1.39 H new ATOM 1069 N GLY A 69 -2.483 -8.263 -7.284 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.805 -7.993 -7.779 1.00 0.43 C ATOM 1071 C GLY A 69 -4.720 -7.486 -6.695 1.00 0.38 C ATOM 1072 O GLY A 69 -4.264 -7.141 -5.603 1.00 0.42 O ATOM 0 H GLY A 69 -2.394 -9.123 -6.743 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.749 -7.256 -8.580 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -4.223 -8.902 -8.211 1.00 0.43 H new ATOM 1076 N GLN A 70 -6.007 -7.443 -7.012 1.00 0.39 N ATOM 1077 CA GLN A 70 -7.028 -6.980 -6.095 1.00 0.43 C ATOM 1078 C GLN A 70 -6.958 -7.701 -4.755 1.00 0.35 C ATOM 1079 O GLN A 70 -7.157 -8.914 -4.667 1.00 0.36 O ATOM 1080 CB GLN A 70 -8.405 -7.167 -6.732 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.678 -6.194 -7.854 1.00 0.78 C ATOM 1082 CD GLN A 70 -10.158 -5.972 -8.108 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -10.789 -5.130 -7.469 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -10.715 -6.686 -9.066 1.00 1.31 N ATOM 0 H GLN A 70 -6.370 -7.732 -7.921 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.855 -5.922 -5.898 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.486 -8.185 -7.114 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -9.171 -7.052 -5.966 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -8.209 -5.238 -7.619 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -8.211 -6.563 -8.767 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -10.162 -7.375 -9.575 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -11.699 -6.549 -9.298 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.651 -6.927 -3.728 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.631 -7.398 -2.353 1.00 0.36 C ATOM 1095 C TYR A 71 -7.621 -6.573 -1.542 1.00 0.32 C ATOM 1096 O TYR A 71 -8.181 -5.611 -2.060 1.00 0.29 O ATOM 1097 CB TYR A 71 -5.221 -7.273 -1.754 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.615 -5.882 -1.854 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.291 -4.760 -1.377 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.363 -5.691 -2.424 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.741 -3.503 -1.465 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.804 -4.429 -2.508 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.502 -3.341 -2.029 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.950 -2.088 -2.093 1.00 0.68 O ATOM 0 H TYR A 71 -6.406 -5.942 -3.826 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.913 -8.451 -2.327 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.259 -7.565 -0.704 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.562 -7.980 -2.258 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.266 -4.881 -0.929 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.818 -6.541 -2.807 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.283 -2.647 -1.091 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.826 -4.296 -2.946 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.166 -2.106 -2.681 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.827 -6.917 -0.281 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.732 -6.148 0.561 1.00 0.33 C ATOM 1116 C ARG A 72 -7.954 -5.192 1.448 1.00 0.27 C ATOM 1117 O ARG A 72 -7.224 -5.627 2.334 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.549 -7.076 1.446 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.258 -8.174 0.689 1.00 0.65 C ATOM 1120 CD ARG A 72 -10.904 -9.150 1.653 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.647 -10.193 0.953 1.00 1.10 N ATOM 1122 CZ ARG A 72 -12.957 -10.144 0.731 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -13.667 -9.114 1.180 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -13.555 -11.116 0.051 1.00 1.52 N ATOM 0 H ARG A 72 -7.386 -7.714 0.179 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.396 -5.582 -0.093 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -8.891 -7.526 2.189 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -10.288 -6.487 1.990 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -11.017 -7.743 0.036 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -9.549 -8.700 0.050 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -10.136 -9.607 2.276 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -11.576 -8.611 2.320 1.00 1.06 H new ATOM 0 HE ARG A 72 -11.132 -11.006 0.615 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -13.207 -8.363 1.694 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -14.672 -9.075 1.011 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -13.009 -11.902 -0.302 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -14.560 -11.076 -0.118 1.00 1.52 H new ATOM 1138 N MET A 73 -8.109 -3.896 1.232 1.00 0.26 N ATOM 1139 CA MET A 73 -7.462 -2.929 2.111 1.00 0.26 C ATOM 1140 C MET A 73 -8.472 -2.367 3.100 1.00 0.23 C ATOM 1141 O MET A 73 -9.596 -2.032 2.724 1.00 0.24 O ATOM 1142 CB MET A 73 -6.826 -1.783 1.337 1.00 0.30 C ATOM 1143 CG MET A 73 -5.998 -0.862 2.223 1.00 0.35 C ATOM 1144 SD MET A 73 -4.229 -1.189 2.106 1.00 0.77 S ATOM 1145 CE MET A 73 -3.584 0.201 3.032 1.00 0.60 C ATOM 0 H MET A 73 -8.663 -3.494 0.476 1.00 0.26 H new ATOM 0 HA MET A 73 -6.669 -3.457 2.641 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.191 -2.190 0.550 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.608 -1.203 0.848 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.191 0.174 1.944 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.317 -0.978 3.259 1.00 0.35 H new ATOM 0 HE1 MET A 73 -3.037 0.863 2.361 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.409 0.748 3.489 1.00 0.60 H new ATOM 0 HE3 MET A 73 -2.913 -0.161 3.811 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.071 -2.286 4.361 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.929 -1.759 5.410 1.00 0.25 C ATOM 1157 C LEU A 74 -9.092 -0.256 5.284 1.00 0.33 C ATOM 1158 O LEU A 74 -8.116 0.492 5.313 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.348 -2.076 6.778 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.291 -1.862 7.959 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -10.039 -3.142 8.258 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.529 -1.395 9.185 1.00 0.42 C ATOM 0 H LEU A 74 -7.149 -2.581 4.683 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.905 -2.233 5.302 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -8.019 -3.115 6.782 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.461 -1.461 6.928 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.007 -1.085 7.693 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.710 -2.983 9.102 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.619 -3.437 7.384 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.327 -3.930 8.504 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.224 -1.250 10.012 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.788 -2.146 9.461 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.026 -0.453 8.964 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.328 0.168 5.140 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.659 1.573 5.172 1.00 0.26 C ATOM 1176 C ALA A 75 -10.831 2.031 6.603 1.00 0.31 C ATOM 1177 O ALA A 75 -10.984 1.219 7.513 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.920 1.845 4.365 1.00 0.29 C ATOM 0 H ALA A 75 -11.128 -0.449 4.998 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.842 2.136 4.721 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.153 2.909 4.401 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.761 1.543 3.330 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.750 1.277 4.785 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.802 3.336 6.768 1.00 0.28 N ATOM 1185 CA LYS A 76 -10.898 4.002 8.062 1.00 0.30 C ATOM 1186 C LYS A 76 -11.936 3.374 8.997 1.00 0.33 C ATOM 1187 O LYS A 76 -11.691 3.194 10.187 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.273 5.446 7.785 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.142 6.354 8.980 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.522 7.785 8.628 1.00 0.47 C ATOM 1191 CE LYS A 76 -12.997 7.905 8.261 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.881 7.709 9.441 1.00 1.23 N ATOM 0 H LYS A 76 -10.709 3.987 5.988 1.00 0.28 H new ATOM 0 HA LYS A 76 -9.940 3.907 8.574 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.642 5.827 6.982 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.302 5.481 7.426 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.781 5.993 9.786 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.117 6.328 9.350 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.303 8.438 9.473 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -10.911 8.129 7.794 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.184 8.887 7.827 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.242 7.167 7.497 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.863 7.931 9.180 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.822 6.720 9.758 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.577 8.338 10.211 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.079 3.026 8.440 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.208 2.528 9.224 1.00 0.62 C ATOM 1208 C HIS A 77 -14.260 1.003 9.214 1.00 0.69 C ATOM 1209 O HIS A 77 -15.331 0.401 9.312 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.526 3.136 8.717 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.526 3.501 7.262 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.083 2.717 6.279 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -15.028 4.590 6.629 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -15.923 3.309 5.110 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.289 4.442 5.296 1.00 0.69 N ATOM 0 H HIS A 77 -13.258 3.077 7.437 1.00 0.44 H new ATOM 0 HA HIS A 77 -14.067 2.840 10.259 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.333 2.426 8.900 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.748 4.028 9.302 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -14.519 5.422 7.092 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.259 2.924 4.158 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -15.032 5.105 4.564 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.083 0.390 9.123 1.00 0.58 N ATOM 1225 CA GLY A 78 -12.982 -1.059 9.087 1.00 0.72 C ATOM 1226 C GLY A 78 -13.523 -1.636 7.800 1.00 0.76 C ATOM 1227 O GLY A 78 -13.880 -2.813 7.735 1.00 1.31 O ATOM 0 H GLY A 78 -12.188 0.877 9.073 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -11.939 -1.352 9.204 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.528 -1.481 9.931 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.599 -0.789 6.789 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.129 -1.191 5.507 1.00 0.37 C ATOM 1233 C GLY A 79 -13.109 -1.938 4.694 1.00 0.28 C ATOM 1234 O GLY A 79 -11.958 -2.058 5.105 1.00 0.29 O ATOM 0 H GLY A 79 -13.298 0.184 6.836 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -15.007 -1.820 5.657 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.459 -0.310 4.957 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.515 -2.437 3.544 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.607 -3.168 2.682 1.00 0.21 C ATOM 1240 C TYR A 80 -12.802 -2.776 1.236 1.00 0.22 C ATOM 1241 O TYR A 80 -13.877 -2.944 0.671 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.778 -4.676 2.856 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.235 -5.177 4.172 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.867 -5.217 4.400 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.084 -5.585 5.191 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.356 -5.653 5.605 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.582 -6.021 6.402 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.218 -6.053 6.604 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.715 -6.484 7.809 1.00 0.38 O ATOM 0 H TYR A 80 -14.466 -2.350 3.185 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.590 -2.906 2.974 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.836 -4.928 2.785 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -12.272 -5.191 2.039 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.190 -4.901 3.620 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.152 -5.561 5.035 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.288 -5.681 5.765 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.254 -6.335 7.187 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.455 -6.728 8.404 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.758 -2.228 0.655 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.756 -1.887 -0.750 1.00 0.28 C ATOM 1261 C VAL A 81 -10.738 -2.753 -1.470 1.00 0.26 C ATOM 1262 O VAL A 81 -9.710 -3.109 -0.894 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.444 -0.388 -0.971 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.690 0.454 -0.753 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.336 0.078 -0.038 1.00 0.30 C ATOM 0 H VAL A 81 -10.889 -2.007 1.141 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.751 -2.073 -1.155 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.108 -0.264 -2.000 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.451 1.505 -0.913 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.464 0.147 -1.456 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.050 0.315 0.266 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.134 1.135 -0.212 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.647 -0.067 0.997 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.432 -0.500 -0.229 1.00 0.30 H new ATOM 1275 N TRP A 82 -11.039 -3.133 -2.699 1.00 0.28 N ATOM 1276 CA TRP A 82 -10.134 -3.975 -3.464 1.00 0.29 C ATOM 1277 C TRP A 82 -9.176 -3.140 -4.287 1.00 0.28 C ATOM 1278 O TRP A 82 -9.581 -2.273 -5.063 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.897 -4.929 -4.367 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.677 -5.970 -3.623 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.909 -5.817 -3.059 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -11.279 -7.320 -3.358 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -13.318 -6.997 -2.491 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -12.332 -7.932 -2.656 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -10.140 -8.076 -3.652 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -12.283 -9.260 -2.255 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -10.091 -9.394 -3.244 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -11.158 -9.974 -2.554 1.00 0.52 C ATOM 0 H TRP A 82 -11.897 -2.875 -3.187 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.559 -4.563 -2.749 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.580 -4.355 -4.993 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.192 -5.424 -5.035 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.480 -4.900 -3.059 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -14.211 -7.152 -2.022 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.313 -7.636 -4.189 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -13.107 -9.713 -1.724 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -9.214 -9.986 -3.462 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -11.092 -11.008 -2.251 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.901 -3.423 -4.115 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.854 -2.649 -4.752 1.00 0.28 C ATOM 1301 C LEU A 83 -5.773 -3.541 -5.328 1.00 0.29 C ATOM 1302 O LEU A 83 -5.490 -4.610 -4.795 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.207 -1.687 -3.746 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.095 -0.594 -3.156 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.696 -1.055 -1.849 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.290 0.679 -2.948 1.00 0.40 C ATOM 0 H LEU A 83 -7.562 -4.190 -3.534 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.321 -2.088 -5.561 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.807 -2.278 -2.922 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.359 -1.207 -4.235 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.905 -0.385 -3.855 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.327 -0.266 -1.440 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.297 -1.948 -2.020 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.898 -1.285 -1.143 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -6.933 1.452 -2.527 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.466 0.480 -2.263 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -5.893 1.019 -3.905 1.00 0.40 H new ATOM 1318 N GLU A 84 -5.182 -3.086 -6.423 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.976 -3.696 -6.961 1.00 0.34 C ATOM 1320 C GLU A 84 -2.810 -2.754 -6.717 1.00 0.35 C ATOM 1321 O GLU A 84 -2.983 -1.539 -6.754 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.096 -3.973 -8.463 1.00 0.41 C ATOM 1323 CG GLU A 84 -5.171 -4.980 -8.821 1.00 0.59 C ATOM 1324 CD GLU A 84 -5.088 -5.427 -10.265 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -4.367 -6.406 -10.555 1.00 1.23 O ATOM 1326 OE2 GLU A 84 -5.743 -4.802 -11.122 1.00 0.88 O ATOM 0 H GLU A 84 -5.523 -2.289 -6.960 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.821 -4.652 -6.460 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -4.304 -3.036 -8.979 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.137 -4.334 -8.833 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -5.082 -5.849 -8.169 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -6.152 -4.542 -8.635 1.00 0.59 H new ATOM 1333 N THR A 85 -1.642 -3.298 -6.451 1.00 0.36 N ATOM 1334 CA THR A 85 -0.479 -2.465 -6.212 1.00 0.37 C ATOM 1335 C THR A 85 0.719 -2.921 -7.028 1.00 0.32 C ATOM 1336 O THR A 85 1.152 -4.071 -6.941 1.00 0.43 O ATOM 1337 CB THR A 85 -0.112 -2.433 -4.716 1.00 0.52 C ATOM 1338 OG1 THR A 85 -1.191 -1.861 -3.973 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.157 -1.624 -4.468 1.00 0.60 C ATOM 0 H THR A 85 -1.471 -4.302 -6.395 1.00 0.36 H new ATOM 0 HA THR A 85 -0.744 -1.457 -6.530 1.00 0.37 H new ATOM 0 HB THR A 85 0.069 -3.457 -4.391 1.00 0.52 H new ATOM 0 HG1 THR A 85 -0.963 -0.942 -3.720 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.385 -1.623 -3.402 1.00 0.60 H new ATOM 0 HG22 THR A 85 1.986 -2.071 -5.017 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.007 -0.599 -4.808 1.00 0.60 H new ATOM 1347 N GLN A 86 1.236 -2.009 -7.835 1.00 0.29 N ATOM 1348 CA GLN A 86 2.484 -2.233 -8.532 1.00 0.35 C ATOM 1349 C GLN A 86 3.596 -1.618 -7.683 1.00 0.28 C ATOM 1350 O GLN A 86 3.563 -0.426 -7.355 1.00 0.30 O ATOM 1351 CB GLN A 86 2.407 -1.661 -9.970 1.00 0.50 C ATOM 1352 CG GLN A 86 3.136 -0.344 -10.219 1.00 0.70 C ATOM 1353 CD GLN A 86 4.634 -0.515 -10.411 1.00 1.06 C ATOM 1354 OE1 GLN A 86 5.102 -1.555 -10.871 1.00 1.95 O ATOM 1355 NE2 GLN A 86 5.395 0.508 -10.058 1.00 1.15 N ATOM 0 H GLN A 86 0.805 -1.103 -8.022 1.00 0.29 H new ATOM 0 HA GLN A 86 2.696 -3.295 -8.657 1.00 0.35 H new ATOM 0 HB2 GLN A 86 2.807 -2.407 -10.656 1.00 0.50 H new ATOM 0 HB3 GLN A 86 1.357 -1.523 -10.227 1.00 0.50 H new ATOM 0 HG2 GLN A 86 2.715 0.135 -11.103 1.00 0.70 H new ATOM 0 HG3 GLN A 86 2.958 0.327 -9.378 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.969 1.354 -9.680 1.00 1.15 H new ATOM 0 HE22 GLN A 86 6.408 0.451 -10.164 1.00 1.15 H new ATOM 1364 N GLY A 87 4.534 -2.447 -7.263 1.00 0.27 N ATOM 1365 CA GLY A 87 5.510 -2.013 -6.293 1.00 0.26 C ATOM 1366 C GLY A 87 6.912 -1.906 -6.842 1.00 0.24 C ATOM 1367 O GLY A 87 7.269 -2.546 -7.832 1.00 0.27 O ATOM 0 H GLY A 87 4.637 -3.412 -7.576 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.209 -1.042 -5.899 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.511 -2.711 -5.455 1.00 0.26 H new ATOM 1371 N THR A 88 7.697 -1.081 -6.181 1.00 0.23 N ATOM 1372 CA THR A 88 9.079 -0.823 -6.567 1.00 0.22 C ATOM 1373 C THR A 88 9.903 -0.416 -5.348 1.00 0.25 C ATOM 1374 O THR A 88 9.609 0.591 -4.712 1.00 0.36 O ATOM 1375 CB THR A 88 9.162 0.295 -7.633 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.311 -0.024 -8.744 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.591 0.480 -8.125 1.00 0.24 C ATOM 0 H THR A 88 7.397 -0.564 -5.354 1.00 0.23 H new ATOM 0 HA THR A 88 9.481 -1.743 -6.991 1.00 0.22 H new ATOM 0 HB THR A 88 8.832 1.226 -7.172 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.367 0.689 -9.414 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.618 1.272 -8.873 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.232 0.751 -7.286 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.947 -0.450 -8.568 1.00 0.24 H new ATOM 1385 N VAL A 89 10.916 -1.194 -5.007 1.00 0.28 N ATOM 1386 CA VAL A 89 11.791 -0.818 -3.904 1.00 0.31 C ATOM 1387 C VAL A 89 12.921 0.072 -4.390 1.00 0.30 C ATOM 1388 O VAL A 89 13.721 -0.313 -5.244 1.00 0.34 O ATOM 1389 CB VAL A 89 12.369 -2.036 -3.141 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.636 -1.662 -2.390 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.354 -2.575 -2.154 1.00 0.56 C ATOM 0 H VAL A 89 11.152 -2.074 -5.466 1.00 0.28 H new ATOM 0 HA VAL A 89 11.168 -0.266 -3.200 1.00 0.31 H new ATOM 0 HB VAL A 89 12.606 -2.801 -3.880 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.019 -2.537 -1.864 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.386 -1.306 -3.096 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.413 -0.874 -1.670 1.00 0.36 H new ATOM 0 HG21 VAL A 89 11.777 -3.430 -1.627 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.097 -1.797 -1.435 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.456 -2.886 -2.688 1.00 0.56 H new ATOM 1401 N ILE A 90 12.939 1.279 -3.865 1.00 0.27 N ATOM 1402 CA ILE A 90 14.025 2.191 -4.109 1.00 0.30 C ATOM 1403 C ILE A 90 15.131 1.911 -3.097 1.00 0.34 C ATOM 1404 O ILE A 90 14.952 2.062 -1.890 1.00 0.41 O ATOM 1405 CB ILE A 90 13.542 3.661 -4.070 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.592 4.597 -4.656 1.00 0.71 C ATOM 1407 CG2 ILE A 90 13.177 4.107 -2.671 1.00 0.73 C ATOM 1408 CD1 ILE A 90 14.036 5.956 -5.013 1.00 0.78 C ATOM 0 H ILE A 90 12.204 1.649 -3.262 1.00 0.27 H new ATOM 0 HA ILE A 90 14.424 2.036 -5.112 1.00 0.30 H new ATOM 0 HB ILE A 90 12.641 3.709 -4.681 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.403 4.719 -3.938 1.00 0.71 H new ATOM 0 HG13 ILE A 90 15.021 4.140 -5.548 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.844 5.145 -2.695 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.375 3.477 -2.286 1.00 0.73 H new ATOM 0 HG23 ILE A 90 14.049 4.021 -2.022 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.831 6.577 -5.425 1.00 0.78 H new ATOM 0 HD12 ILE A 90 13.244 5.842 -5.753 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.632 6.430 -4.119 1.00 0.78 H new ATOM 1420 N TYR A 91 16.241 1.389 -3.581 1.00 0.36 N ATOM 1421 CA TYR A 91 17.325 1.005 -2.696 1.00 0.42 C ATOM 1422 C TYR A 91 18.282 2.161 -2.426 1.00 0.48 C ATOM 1423 O TYR A 91 18.410 3.088 -3.227 1.00 0.58 O ATOM 1424 CB TYR A 91 18.114 -0.173 -3.251 1.00 0.51 C ATOM 1425 CG TYR A 91 17.311 -1.431 -3.521 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.661 -1.612 -4.737 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.186 -2.425 -2.557 1.00 0.55 C ATOM 1428 CE1 TYR A 91 15.913 -2.748 -4.984 1.00 0.61 C ATOM 1429 CE2 TYR A 91 16.439 -3.563 -2.797 1.00 0.76 C ATOM 1430 CZ TYR A 91 15.867 -3.759 -4.022 1.00 0.79 C ATOM 1431 OH TYR A 91 15.065 -4.856 -4.258 1.00 1.06 O ATOM 0 H TYR A 91 16.416 1.222 -4.572 1.00 0.36 H new ATOM 0 HA TYR A 91 16.855 0.712 -1.757 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.591 0.138 -4.180 1.00 0.51 H new ATOM 0 HB3 TYR A 91 18.911 -0.416 -2.549 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.742 -0.853 -5.501 1.00 0.45 H new ATOM 0 HD2 TYR A 91 17.681 -2.306 -1.604 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.370 -2.852 -5.912 1.00 0.61 H new ATOM 0 HE2 TYR A 91 16.308 -4.297 -2.016 1.00 0.76 H new ATOM 0 HH TYR A 91 14.192 -4.720 -3.834 1.00 1.06 H new ATOM 1441 N ASN A 92 18.935 2.080 -1.277 1.00 0.57 N ATOM 1442 CA ASN A 92 19.938 3.049 -0.846 1.00 0.71 C ATOM 1443 C ASN A 92 21.132 3.044 -1.791 1.00 0.69 C ATOM 1444 O ASN A 92 21.669 2.004 -2.069 1.00 0.63 O ATOM 1445 CB ASN A 92 20.418 2.652 0.543 1.00 0.83 C ATOM 1446 CG ASN A 92 21.215 3.738 1.217 1.00 1.09 C ATOM 1447 OD1 ASN A 92 22.433 3.818 1.066 1.00 1.77 O ATOM 1448 ND2 ASN A 92 20.526 4.578 1.959 1.00 1.50 N ATOM 0 H ASN A 92 18.782 1.328 -0.605 1.00 0.57 H new ATOM 0 HA ASN A 92 19.495 4.045 -0.842 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.557 2.402 1.162 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.029 1.752 0.468 1.00 0.83 H new ATOM 0 HD21 ASN A 92 21.002 5.340 2.442 1.00 1.50 H new ATOM 0 HD22 ASN A 92 19.516 4.467 2.051 1.00 1.50 H new ATOM 1455 N PRO A 93 21.594 4.186 -2.283 1.00 0.84 N ATOM 1456 CA PRO A 93 22.697 4.198 -3.249 1.00 0.91 C ATOM 1457 C PRO A 93 24.019 3.659 -2.699 1.00 0.96 C ATOM 1458 O PRO A 93 24.720 2.914 -3.382 1.00 1.00 O ATOM 1459 CB PRO A 93 22.836 5.665 -3.626 1.00 1.13 C ATOM 1460 CG PRO A 93 22.158 6.432 -2.538 1.00 1.23 C ATOM 1461 CD PRO A 93 21.090 5.534 -1.982 1.00 1.00 C ATOM 0 HA PRO A 93 22.475 3.540 -4.089 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.885 5.949 -3.709 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.373 5.866 -4.592 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.869 6.715 -1.762 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.726 7.354 -2.926 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.956 5.684 -0.911 1.00 1.00 H new ATOM 0 HD3 PRO A 93 20.124 5.717 -2.453 1.00 1.00 H new ATOM 1469 N ARG A 94 24.357 4.026 -1.473 1.00 1.03 N ATOM 1470 CA ARG A 94 25.660 3.674 -0.912 1.00 1.13 C ATOM 1471 C ARG A 94 25.631 2.347 -0.155 1.00 1.04 C ATOM 1472 O ARG A 94 26.615 1.608 -0.149 1.00 1.16 O ATOM 1473 CB ARG A 94 26.184 4.802 -0.015 1.00 1.37 C ATOM 1474 CG ARG A 94 25.220 5.243 1.076 1.00 1.93 C ATOM 1475 CD ARG A 94 25.746 6.460 1.820 1.00 2.43 C ATOM 1476 NE ARG A 94 26.077 7.546 0.896 1.00 3.09 N ATOM 1477 CZ ARG A 94 26.099 8.837 1.220 1.00 3.87 C ATOM 1478 NH1 ARG A 94 25.745 9.237 2.435 1.00 4.14 N ATOM 1479 NH2 ARG A 94 26.463 9.732 0.312 1.00 4.77 N ATOM 0 H ARG A 94 23.756 4.563 -0.848 1.00 1.03 H new ATOM 0 HA ARG A 94 26.344 3.544 -1.750 1.00 1.13 H new ATOM 0 HB2 ARG A 94 27.114 4.476 0.450 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.424 5.663 -0.639 1.00 1.37 H new ATOM 0 HG2 ARG A 94 24.250 5.475 0.635 1.00 1.93 H new ATOM 0 HG3 ARG A 94 25.063 4.424 1.778 1.00 1.93 H new ATOM 0 HD2 ARG A 94 24.998 6.803 2.535 1.00 2.43 H new ATOM 0 HD3 ARG A 94 26.632 6.184 2.393 1.00 2.43 H new ATOM 0 HE ARG A 94 26.307 7.295 -0.066 1.00 3.09 H new ATOM 0 HH11 ARG A 94 25.452 8.552 3.132 1.00 4.14 H new ATOM 0 HH12 ARG A 94 25.766 10.229 2.672 1.00 4.14 H new ATOM 0 HH21 ARG A 94 26.723 9.429 -0.627 1.00 4.77 H new ATOM 0 HH22 ARG A 94 26.483 10.723 0.552 1.00 4.77 H new ATOM 1493 N ASN A 95 24.507 2.039 0.473 1.00 0.99 N ATOM 1494 CA ASN A 95 24.403 0.825 1.287 1.00 1.00 C ATOM 1495 C ASN A 95 23.494 -0.193 0.602 1.00 0.85 C ATOM 1496 O ASN A 95 23.562 -1.391 0.871 1.00 0.92 O ATOM 1497 CB ASN A 95 23.857 1.185 2.675 1.00 1.15 C ATOM 1498 CG ASN A 95 24.163 0.156 3.762 1.00 1.58 C ATOM 1499 OD1 ASN A 95 24.380 0.524 4.913 1.00 2.23 O ATOM 1500 ND2 ASN A 95 24.163 -1.127 3.428 1.00 1.99 N ATOM 0 H ASN A 95 23.658 2.603 0.439 1.00 0.99 H new ATOM 0 HA ASN A 95 25.392 0.380 1.399 1.00 1.00 H new ATOM 0 HB2 ASN A 95 24.271 2.147 2.976 1.00 1.15 H new ATOM 0 HB3 ASN A 95 22.777 1.311 2.605 1.00 1.15 H new ATOM 0 HD21 ASN A 95 24.347 -1.838 4.136 1.00 1.99 H new ATOM 0 HD22 ASN A 95 23.979 -1.403 2.463 1.00 1.99 H new ATOM 1507 N LEU A 96 22.668 0.305 -0.306 1.00 0.72 N ATOM 1508 CA LEU A 96 21.677 -0.499 -1.027 1.00 0.63 C ATOM 1509 C LEU A 96 20.799 -1.350 -0.121 1.00 0.64 C ATOM 1510 O LEU A 96 20.415 -2.466 -0.472 1.00 0.67 O ATOM 1511 CB LEU A 96 22.342 -1.336 -2.116 1.00 0.74 C ATOM 1512 CG LEU A 96 22.729 -0.535 -3.363 1.00 0.86 C ATOM 1513 CD1 LEU A 96 23.540 -1.371 -4.330 1.00 1.22 C ATOM 1514 CD2 LEU A 96 21.480 0.000 -4.048 1.00 1.76 C ATOM 0 H LEU A 96 22.662 1.290 -0.570 1.00 0.72 H new ATOM 0 HA LEU A 96 20.998 0.210 -1.501 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.236 -1.805 -1.705 1.00 0.74 H new ATOM 0 HB3 LEU A 96 21.666 -2.139 -2.407 1.00 0.74 H new ATOM 0 HG LEU A 96 23.351 0.302 -3.045 1.00 0.86 H new ATOM 0 HD11 LEU A 96 23.797 -0.771 -5.203 1.00 1.22 H new ATOM 0 HD12 LEU A 96 24.453 -1.710 -3.841 1.00 1.22 H new ATOM 0 HD13 LEU A 96 22.954 -2.235 -4.644 1.00 1.22 H new ATOM 0 HD21 LEU A 96 21.766 0.568 -4.933 1.00 1.76 H new ATOM 0 HD22 LEU A 96 20.841 -0.833 -4.342 1.00 1.76 H new ATOM 0 HD23 LEU A 96 20.937 0.649 -3.360 1.00 1.76 H new ATOM 1526 N GLN A 97 20.456 -0.799 1.028 1.00 0.71 N ATOM 1527 CA GLN A 97 19.376 -1.341 1.830 1.00 0.76 C ATOM 1528 C GLN A 97 18.065 -0.942 1.168 1.00 0.64 C ATOM 1529 O GLN A 97 18.053 -0.031 0.335 1.00 0.61 O ATOM 1530 CB GLN A 97 19.415 -0.769 3.249 1.00 0.94 C ATOM 1531 CG GLN A 97 20.729 -0.978 3.973 1.00 1.21 C ATOM 1532 CD GLN A 97 20.759 -0.255 5.304 1.00 2.02 C ATOM 1533 OE1 GLN A 97 20.396 -0.810 6.340 1.00 2.29 O ATOM 1534 NE2 GLN A 97 21.172 1.002 5.281 1.00 2.81 N ATOM 0 H GLN A 97 20.909 0.023 1.427 1.00 0.71 H new ATOM 0 HA GLN A 97 19.474 -2.425 1.895 1.00 0.76 H new ATOM 0 HB2 GLN A 97 19.206 0.300 3.203 1.00 0.94 H new ATOM 0 HB3 GLN A 97 18.616 -1.225 3.833 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.889 -2.044 4.135 1.00 1.21 H new ATOM 0 HG3 GLN A 97 21.549 -0.623 3.348 1.00 1.21 H new ATOM 0 HE21 GLN A 97 21.465 1.426 4.401 1.00 2.81 H new ATOM 0 HE22 GLN A 97 21.197 1.546 6.143 1.00 2.81 H new ATOM 1543 N PRO A 98 16.952 -1.609 1.491 1.00 0.62 N ATOM 1544 CA PRO A 98 15.639 -1.151 1.060 1.00 0.55 C ATOM 1545 C PRO A 98 15.351 0.226 1.639 1.00 0.55 C ATOM 1546 O PRO A 98 14.929 0.353 2.787 1.00 0.62 O ATOM 1547 CB PRO A 98 14.669 -2.200 1.617 1.00 0.60 C ATOM 1548 CG PRO A 98 15.429 -2.906 2.689 1.00 0.62 C ATOM 1549 CD PRO A 98 16.877 -2.847 2.284 1.00 0.72 C ATOM 0 HA PRO A 98 15.556 -1.054 -0.022 1.00 0.55 H new ATOM 0 HB2 PRO A 98 13.769 -1.732 2.016 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.350 -2.893 0.839 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.275 -2.427 3.656 1.00 0.62 H new ATOM 0 HG3 PRO A 98 15.094 -3.939 2.788 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.537 -2.811 3.151 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.168 -3.719 1.698 1.00 0.72 H new ATOM 1557 N GLN A 99 15.606 1.253 0.842 1.00 0.51 N ATOM 1558 CA GLN A 99 15.507 2.621 1.314 1.00 0.54 C ATOM 1559 C GLN A 99 14.047 2.979 1.485 1.00 0.50 C ATOM 1560 O GLN A 99 13.628 3.483 2.530 1.00 0.57 O ATOM 1561 CB GLN A 99 16.202 3.568 0.326 1.00 0.56 C ATOM 1562 CG GLN A 99 15.608 4.966 0.267 1.00 0.72 C ATOM 1563 CD GLN A 99 15.936 5.812 1.486 1.00 0.97 C ATOM 1564 OE1 GLN A 99 15.204 5.814 2.474 1.00 1.73 O ATOM 1565 NE2 GLN A 99 17.029 6.553 1.416 1.00 1.32 N ATOM 0 H GLN A 99 15.883 1.162 -0.135 1.00 0.51 H new ATOM 0 HA GLN A 99 16.007 2.722 2.277 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.255 3.646 0.597 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.161 3.127 -0.670 1.00 0.56 H new ATOM 0 HG2 GLN A 99 15.975 5.471 -0.626 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.525 4.889 0.168 1.00 0.72 H new ATOM 0 HE21 GLN A 99 17.612 6.525 0.579 1.00 1.32 H new ATOM 0 HE22 GLN A 99 17.289 7.153 2.199 1.00 1.32 H new ATOM 1574 N CYS A 100 13.267 2.650 0.477 1.00 0.43 N ATOM 1575 CA CYS A 100 11.857 2.981 0.465 1.00 0.41 C ATOM 1576 C CYS A 100 11.120 2.086 -0.519 1.00 0.35 C ATOM 1577 O CYS A 100 11.727 1.450 -1.376 1.00 0.39 O ATOM 1578 CB CYS A 100 11.634 4.458 0.098 1.00 0.45 C ATOM 1579 SG CYS A 100 12.050 5.639 1.403 1.00 0.64 S ATOM 0 H CYS A 100 13.589 2.149 -0.351 1.00 0.43 H new ATOM 0 HA CYS A 100 11.464 2.817 1.468 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.228 4.691 -0.786 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.588 4.595 -0.176 1.00 0.45 H new ATOM 0 HG CYS A 100 12.840 5.072 2.266 1.00 0.64 H new ATOM 1585 N ILE A 101 9.818 2.033 -0.369 1.00 0.29 N ATOM 1586 CA ILE A 101 8.968 1.305 -1.285 1.00 0.27 C ATOM 1587 C ILE A 101 8.041 2.292 -1.973 1.00 0.23 C ATOM 1588 O ILE A 101 7.435 3.125 -1.312 1.00 0.28 O ATOM 1589 CB ILE A 101 8.108 0.228 -0.571 1.00 0.35 C ATOM 1590 CG1 ILE A 101 8.970 -0.836 0.126 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.167 -0.443 -1.562 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.537 -0.410 1.466 1.00 0.73 C ATOM 0 H ILE A 101 9.316 2.493 0.391 1.00 0.29 H new ATOM 0 HA ILE A 101 9.612 0.792 -2.000 1.00 0.27 H new ATOM 0 HB ILE A 101 7.528 0.741 0.196 1.00 0.35 H new ATOM 0 HG12 ILE A 101 8.370 -1.734 0.269 1.00 0.66 H new ATOM 0 HG13 ILE A 101 9.795 -1.106 -0.534 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.571 -1.196 -1.046 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.506 0.305 -2.000 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.749 -0.920 -2.351 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.131 -1.222 1.885 1.00 0.73 H new ATOM 0 HD12 ILE A 101 10.168 0.469 1.331 1.00 0.73 H new ATOM 0 HD13 ILE A 101 8.720 -0.170 2.147 1.00 0.73 H new ATOM 1604 N MET A 102 7.940 2.210 -3.282 1.00 0.22 N ATOM 1605 CA MET A 102 7.034 3.064 -4.025 1.00 0.23 C ATOM 1606 C MET A 102 5.834 2.238 -4.446 1.00 0.22 C ATOM 1607 O MET A 102 5.973 1.285 -5.219 1.00 0.24 O ATOM 1608 CB MET A 102 7.723 3.652 -5.257 1.00 0.30 C ATOM 1609 CG MET A 102 8.892 4.567 -4.930 1.00 0.69 C ATOM 1610 SD MET A 102 9.646 5.281 -6.406 1.00 1.47 S ATOM 1611 CE MET A 102 8.262 6.205 -7.078 1.00 1.81 C ATOM 0 H MET A 102 8.475 1.559 -3.857 1.00 0.22 H new ATOM 0 HA MET A 102 6.719 3.894 -3.393 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.078 2.836 -5.887 1.00 0.30 H new ATOM 0 HB3 MET A 102 6.990 4.209 -5.840 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.549 5.369 -4.277 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.645 4.005 -4.377 1.00 0.69 H new ATOM 0 HE1 MET A 102 8.635 7.002 -7.721 1.00 1.81 H new ATOM 0 HE2 MET A 102 7.626 5.537 -7.659 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.683 6.638 -6.262 1.00 1.81 H new ATOM 1621 N CYS A 103 4.673 2.559 -3.906 1.00 0.25 N ATOM 1622 CA CYS A 103 3.477 1.783 -4.191 1.00 0.26 C ATOM 1623 C CYS A 103 2.499 2.548 -5.071 1.00 0.27 C ATOM 1624 O CYS A 103 1.978 3.594 -4.682 1.00 0.32 O ATOM 1625 CB CYS A 103 2.790 1.379 -2.889 1.00 0.31 C ATOM 1626 SG CYS A 103 3.788 0.303 -1.830 1.00 0.39 S ATOM 0 H CYS A 103 4.531 3.345 -3.272 1.00 0.25 H new ATOM 0 HA CYS A 103 3.789 0.891 -4.735 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.531 2.280 -2.333 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.855 0.871 -3.126 1.00 0.31 H new ATOM 0 HG CYS A 103 3.053 -0.153 -0.859 1.00 0.39 H new ATOM 1632 N VAL A 104 2.262 2.023 -6.262 1.00 0.27 N ATOM 1633 CA VAL A 104 1.208 2.537 -7.117 1.00 0.28 C ATOM 1634 C VAL A 104 -0.052 1.722 -6.865 1.00 0.29 C ATOM 1635 O VAL A 104 -0.086 0.523 -7.144 1.00 0.29 O ATOM 1636 CB VAL A 104 1.591 2.451 -8.611 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.570 3.175 -9.473 1.00 0.35 C ATOM 1638 CG2 VAL A 104 2.985 3.018 -8.842 1.00 0.34 C ATOM 0 H VAL A 104 2.785 1.242 -6.657 1.00 0.27 H new ATOM 0 HA VAL A 104 1.045 3.589 -6.881 1.00 0.28 H new ATOM 0 HB VAL A 104 1.596 1.400 -8.900 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.861 3.101 -10.521 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.411 2.720 -9.335 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.527 4.224 -9.182 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.235 2.948 -9.901 1.00 0.34 H new ATOM 0 HG22 VAL A 104 3.009 4.063 -8.532 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.710 2.450 -8.259 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.081 2.366 -6.337 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.262 1.650 -5.872 1.00 0.30 C ATOM 1650 C ASN A 105 -3.462 1.951 -6.749 1.00 0.27 C ATOM 1651 O ASN A 105 -3.712 3.107 -7.095 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.578 2.026 -4.424 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.364 1.942 -3.527 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -1.063 0.896 -2.951 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.655 3.052 -3.407 1.00 0.63 N ATOM 0 H ASN A 105 -1.124 3.378 -6.219 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.048 0.583 -5.929 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.979 3.039 -4.394 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.355 1.364 -4.041 1.00 0.33 H new ATOM 0 HD21 ASN A 105 0.178 3.064 -2.819 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.941 3.896 -3.903 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.218 0.909 -7.057 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.347 1.003 -7.967 1.00 0.24 C ATOM 1664 C TYR A 106 -6.621 0.576 -7.254 1.00 0.25 C ATOM 1665 O TYR A 106 -6.852 -0.617 -7.047 1.00 0.26 O ATOM 1666 CB TYR A 106 -5.123 0.104 -9.189 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.865 0.415 -9.972 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -2.659 -0.183 -9.644 1.00 0.31 C ATOM 1669 CD2 TYR A 106 -3.885 1.316 -11.034 1.00 0.35 C ATOM 1670 CE1 TYR A 106 -1.506 0.102 -10.347 1.00 0.35 C ATOM 1671 CE2 TYR A 106 -2.736 1.606 -11.746 1.00 0.40 C ATOM 1672 CZ TYR A 106 -1.560 0.978 -11.424 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.399 1.279 -12.099 1.00 0.48 O ATOM 0 H TYR A 106 -4.065 -0.027 -6.682 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.442 2.037 -8.298 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -5.084 -0.934 -8.859 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.982 0.195 -9.854 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -2.620 -0.885 -8.824 1.00 0.31 H new ATOM 0 HD2 TYR A 106 -4.814 1.796 -11.306 1.00 0.35 H new ATOM 0 HE1 TYR A 106 -0.569 -0.353 -10.062 1.00 0.35 H new ATOM 0 HE2 TYR A 106 -2.764 2.324 -12.552 1.00 0.40 H new ATOM 0 HH TYR A 106 -0.597 1.904 -12.828 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.427 1.547 -6.859 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.692 1.264 -6.193 1.00 0.28 C ATOM 1685 C VAL A 107 -9.723 0.823 -7.222 1.00 0.33 C ATOM 1686 O VAL A 107 -10.208 1.634 -8.010 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.231 2.490 -5.432 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.491 2.136 -4.653 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.166 3.051 -4.507 1.00 0.62 C ATOM 0 H VAL A 107 -7.230 2.540 -6.987 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.511 0.470 -5.468 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.492 3.257 -6.161 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -10.852 3.018 -4.124 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.259 1.787 -5.343 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.265 1.349 -3.933 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.564 3.917 -3.977 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -7.872 2.288 -3.786 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.297 3.352 -5.093 1.00 0.62 H new ATOM 1699 N LEU A 108 -10.045 -0.457 -7.216 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.924 -1.030 -8.226 1.00 0.39 C ATOM 1701 C LEU A 108 -12.311 -1.275 -7.664 1.00 0.44 C ATOM 1702 O LEU A 108 -13.242 -0.516 -7.928 1.00 0.60 O ATOM 1703 CB LEU A 108 -10.322 -2.329 -8.741 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.917 -2.175 -9.308 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -8.059 -3.355 -8.939 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.964 -2.011 -10.815 1.00 0.48 C ATOM 0 H LEU A 108 -9.711 -1.125 -6.521 1.00 0.31 H new ATOM 0 HA LEU A 108 -11.020 -0.323 -9.050 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -10.298 -3.054 -7.928 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.972 -2.738 -9.514 1.00 0.44 H new ATOM 0 HG LEU A 108 -8.475 -1.278 -8.874 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -7.060 -3.223 -9.355 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.993 -3.432 -7.854 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.502 -4.266 -9.341 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.950 -1.902 -11.201 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -9.430 -2.889 -11.262 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -9.545 -1.124 -11.066 1.00 0.48 H new ATOM 1718 N SER A 109 -12.448 -2.331 -6.881 1.00 0.44 N ATOM 1719 CA SER A 109 -13.712 -2.624 -6.240 1.00 0.54 C ATOM 1720 C SER A 109 -13.860 -1.744 -5.009 1.00 0.64 C ATOM 1721 O SER A 109 -12.941 -1.648 -4.192 1.00 0.93 O ATOM 1722 CB SER A 109 -13.796 -4.100 -5.866 1.00 0.64 C ATOM 1723 OG SER A 109 -13.491 -4.926 -6.982 1.00 1.46 O ATOM 0 H SER A 109 -11.702 -2.995 -6.676 1.00 0.44 H new ATOM 0 HA SER A 109 -14.527 -2.413 -6.932 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.103 -4.313 -5.052 1.00 0.64 H new ATOM 0 HB3 SER A 109 -14.797 -4.330 -5.501 1.00 0.64 H new ATOM 0 HG SER A 109 -12.523 -4.922 -7.137 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.007 -1.101 -4.881 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.197 -0.091 -3.857 1.00 0.74 C ATOM 1731 C GLU A 110 -15.613 -0.714 -2.528 1.00 0.59 C ATOM 1732 O GLU A 110 -15.494 -1.924 -2.345 1.00 0.55 O ATOM 1733 CB GLU A 110 -16.207 0.947 -4.342 1.00 1.07 C ATOM 1734 CG GLU A 110 -15.797 1.568 -5.669 1.00 1.46 C ATOM 1735 CD GLU A 110 -16.515 2.866 -5.976 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -16.598 3.731 -5.083 1.00 2.94 O ATOM 1737 OE2 GLU A 110 -17.033 3.013 -7.104 1.00 2.41 O ATOM 0 H GLU A 110 -15.821 -1.261 -5.474 1.00 0.62 H new ATOM 0 HA GLU A 110 -14.247 0.412 -3.677 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.185 0.478 -4.449 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -16.309 1.731 -3.592 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -14.722 1.750 -5.659 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -15.992 0.855 -6.470 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.089 0.127 -1.609 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.324 -0.274 -0.221 1.00 0.59 C ATOM 1746 C ILE A 111 -17.173 -1.528 -0.103 1.00 0.58 C ATOM 1747 O ILE A 111 -18.360 -1.543 -0.442 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.977 0.861 0.594 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.150 2.146 0.477 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -17.115 0.449 2.057 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.786 3.348 1.143 1.00 0.89 C ATOM 0 H ILE A 111 -16.322 1.101 -1.804 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.339 -0.495 0.189 1.00 0.59 H new ATOM 0 HB ILE A 111 -17.972 1.052 0.191 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.168 1.976 0.918 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -15.991 2.369 -0.578 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -17.577 1.259 2.621 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.738 -0.443 2.127 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -16.129 0.236 2.470 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.141 4.218 1.017 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -17.756 3.546 0.686 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.920 3.147 2.206 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.530 -2.570 0.389 1.00 0.53 N ATOM 1764 CA GLU A 112 -17.173 -3.829 0.671 1.00 0.61 C ATOM 1765 C GLU A 112 -17.244 -4.009 2.178 1.00 0.64 C ATOM 1766 O GLU A 112 -16.345 -3.565 2.898 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.370 -4.970 0.055 1.00 0.68 C ATOM 1768 CG GLU A 112 -17.184 -6.221 -0.170 1.00 1.14 C ATOM 1769 CD GLU A 112 -16.323 -7.433 -0.461 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.886 -7.604 -1.616 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -16.078 -8.223 0.478 1.00 1.56 O ATOM 0 H GLU A 112 -15.533 -2.561 0.605 1.00 0.53 H new ATOM 0 HA GLU A 112 -18.177 -3.836 0.246 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.954 -4.640 -0.897 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.528 -5.205 0.706 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -17.794 -6.417 0.712 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.870 -6.059 -1.002 1.00 1.14 H new