USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 770 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 105 SER OG : rot 76:sc= -0.0821 USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.179 K(o=-0.26,f=-3.1!) USER MOD Set 2.1: A 61 ASN : amide:sc= 1.8 K(o=2.8,f=-4.6!) USER MOD Set 2.2: A 84 THR OG1 : rot 22:sc= 1.02 USER MOD Set 3.1: A 15 MET CE :methyl 161:sc= -5.17! (180deg=-4.13!) USER MOD Set 3.2: A 49 SER OG : rot -60:sc= 0.168 USER MOD Set 4.1: A 35 GLN : amide:sc= 0.918 K(o=1.9,f=-1.9) USER MOD Set 4.2: A 70 HIS : no HE2:sc= 1 K(o=1.9,f=-6.2!) USER MOD Single : A 13 CYS SG : rot 160:sc= -0.0366 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 1.29 (180deg=1.03) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 1.34 (180deg=1.14) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 35:sc= -0.0664 USER MOD Single : A 25 ASN : amide:sc= -1.24 K(o=-1.2,f=-4.3!) USER MOD Single : A 27 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.4) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc=-0.00112 USER MOD Single : A 44 SER OG : rot -113:sc= 1.55 USER MOD Single : A 54 GLN : amide:sc= -0.0385 K(o=-0.038,f=-1.4) USER MOD Single : A 64 CYS SG : rot -22:sc= 1.16 USER MOD Single : A 65 MET CE :methyl -174:sc= -0.295 (180deg=-0.402) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc=-0.00637 K(o=-0.0064,f=-0.87) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= 1.19 (180deg=0.0254) USER MOD Single : A 93 THR OG1 : rot 94:sc= 1.29 USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 0.567 (180deg=0.513) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 84:sc= 1.15 USER MOD Single : A 106 GLN : amide:sc= -1.67! C(o=-1.7!,f=-3.6!) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.268 -8.646 -1.340 1.00 0.80 N ATOM 107 CA LEU A 8 -7.979 -7.268 -1.729 1.00 0.56 C ATOM 108 C LEU A 8 -7.442 -6.492 -0.535 1.00 0.48 C ATOM 109 O LEU A 8 -8.004 -5.475 -0.135 1.00 0.47 O ATOM 110 CB LEU A 8 -9.250 -6.593 -2.246 1.00 0.47 C ATOM 111 CG LEU A 8 -9.945 -7.305 -3.403 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.270 -6.629 -3.707 1.00 0.61 C ATOM 113 CD2 LEU A 8 -9.057 -7.317 -4.637 1.00 0.72 C ATOM 0 HA LEU A 8 -7.229 -7.277 -2.520 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -9.956 -6.504 -1.420 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.000 -5.580 -2.562 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.136 -8.338 -3.113 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.760 -7.143 -4.534 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.910 -6.669 -2.825 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -11.093 -5.589 -3.980 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.571 -7.829 -5.450 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.836 -6.292 -4.936 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -8.127 -7.838 -4.411 1.00 0.72 H new ATOM 125 N ARG A 9 -6.363 -6.984 0.037 1.00 0.52 N ATOM 126 CA ARG A 9 -5.830 -6.416 1.260 1.00 0.51 C ATOM 127 C ARG A 9 -4.453 -5.822 1.041 1.00 0.43 C ATOM 128 O ARG A 9 -3.687 -6.293 0.200 1.00 0.47 O ATOM 129 CB ARG A 9 -5.746 -7.486 2.346 1.00 0.69 C ATOM 130 CG ARG A 9 -7.095 -7.962 2.837 1.00 1.15 C ATOM 131 CD ARG A 9 -6.943 -8.906 4.012 1.00 1.21 C ATOM 132 NE ARG A 9 -8.213 -9.150 4.675 1.00 1.84 N ATOM 133 CZ ARG A 9 -8.664 -8.428 5.687 1.00 2.23 C ATOM 134 NH1 ARG A 9 -7.946 -7.424 6.162 1.00 2.21 N ATOM 135 NH2 ARG A 9 -9.835 -8.716 6.226 1.00 3.09 N ATOM 0 H ARG A 9 -5.836 -7.778 -0.326 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.506 -5.621 1.574 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -5.188 -8.339 1.960 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -5.181 -7.091 3.190 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -7.702 -7.106 3.130 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -7.624 -8.465 2.028 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -6.525 -9.852 3.667 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -6.235 -8.486 4.726 1.00 1.21 H new ATOM 0 HE ARG A 9 -8.789 -9.922 4.341 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -7.040 -7.204 5.748 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -8.298 -6.870 6.943 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -10.387 -9.492 5.862 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -10.187 -8.162 7.007 1.00 3.09 H new ATOM 149 N PRO A 10 -4.119 -4.782 1.814 1.00 0.36 N ATOM 150 CA PRO A 10 -2.791 -4.210 1.816 1.00 0.30 C ATOM 151 C PRO A 10 -1.830 -5.144 2.518 1.00 0.28 C ATOM 152 O PRO A 10 -2.244 -6.076 3.208 1.00 0.38 O ATOM 153 CB PRO A 10 -2.929 -2.904 2.615 1.00 0.29 C ATOM 154 CG PRO A 10 -4.386 -2.743 2.894 1.00 0.47 C ATOM 155 CD PRO A 10 -5.000 -4.104 2.762 1.00 0.40 C ATOM 0 HA PRO A 10 -2.409 -4.043 0.809 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -2.357 -2.952 3.542 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.545 -2.057 2.047 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -4.547 -2.341 3.894 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.840 -2.043 2.192 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.036 -4.623 3.720 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -6.023 -4.049 2.391 1.00 0.40 H new ATOM 163 N ARG A 11 -0.562 -4.899 2.349 1.00 0.29 N ATOM 164 CA ARG A 11 0.445 -5.704 3.009 1.00 0.34 C ATOM 165 C ARG A 11 1.418 -4.808 3.762 1.00 0.27 C ATOM 166 O ARG A 11 1.908 -3.812 3.225 1.00 0.27 O ATOM 167 CB ARG A 11 1.166 -6.596 1.988 1.00 0.49 C ATOM 168 CG ARG A 11 1.752 -5.830 0.814 1.00 0.63 C ATOM 169 CD ARG A 11 1.690 -6.636 -0.474 1.00 1.00 C ATOM 170 NE ARG A 11 0.313 -6.989 -0.819 1.00 1.22 N ATOM 171 CZ ARG A 11 -0.304 -6.617 -1.940 1.00 1.59 C ATOM 172 NH1 ARG A 11 0.336 -5.902 -2.860 1.00 1.95 N ATOM 173 NH2 ARG A 11 -1.570 -6.966 -2.134 1.00 2.37 N ATOM 0 H ARG A 11 -0.194 -4.151 1.762 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.035 -6.359 3.736 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.966 -7.137 2.493 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.465 -7.341 1.611 1.00 0.49 H new ATOM 0 HG2 ARG A 11 1.209 -4.894 0.683 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.788 -5.570 1.030 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.134 -6.061 -1.286 1.00 1.00 H new ATOM 0 HD3 ARG A 11 2.283 -7.544 -0.365 1.00 1.00 H new ATOM 0 HE ARG A 11 -0.211 -7.559 -0.156 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.309 -5.633 -2.711 1.00 1.95 H new ATOM 0 HH12 ARG A 11 -0.146 -5.622 -3.715 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -2.062 -7.514 -1.428 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -2.051 -6.686 -2.989 1.00 2.37 H new ATOM 187 N LEU A 12 1.665 -5.150 5.017 1.00 0.29 N ATOM 188 CA LEU A 12 2.539 -4.358 5.861 1.00 0.26 C ATOM 189 C LEU A 12 3.921 -4.986 5.891 1.00 0.25 C ATOM 190 O LEU A 12 4.106 -6.081 6.419 1.00 0.32 O ATOM 191 CB LEU A 12 1.950 -4.240 7.273 1.00 0.34 C ATOM 192 CG LEU A 12 2.494 -3.091 8.137 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.817 -3.461 8.784 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.651 -1.823 7.306 1.00 1.28 C ATOM 0 H LEU A 12 1.270 -5.973 5.472 1.00 0.29 H new ATOM 0 HA LEU A 12 2.626 -3.351 5.453 1.00 0.26 H new ATOM 0 HB2 LEU A 12 0.870 -4.122 7.186 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.127 -5.178 7.798 1.00 0.34 H new ATOM 0 HG LEU A 12 1.771 -2.905 8.931 1.00 0.60 H new ATOM 0 HD11 LEU A 12 4.173 -2.626 9.388 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.679 -4.336 9.420 1.00 1.32 H new ATOM 0 HD13 LEU A 12 4.550 -3.687 8.010 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.037 -1.021 7.935 1.00 1.28 H new ATOM 0 HD22 LEU A 12 3.346 -2.008 6.487 1.00 1.28 H new ATOM 0 HD23 LEU A 12 1.682 -1.531 6.901 1.00 1.28 H new ATOM 206 N CYS A 13 4.882 -4.290 5.317 1.00 0.23 N ATOM 207 CA CYS A 13 6.223 -4.817 5.170 1.00 0.25 C ATOM 208 C CYS A 13 7.174 -4.154 6.159 1.00 0.22 C ATOM 209 O CYS A 13 7.268 -2.930 6.213 1.00 0.24 O ATOM 210 CB CYS A 13 6.709 -4.586 3.737 1.00 0.29 C ATOM 211 SG CYS A 13 5.535 -5.116 2.468 1.00 0.40 S ATOM 0 H CYS A 13 4.757 -3.350 4.942 1.00 0.23 H new ATOM 0 HA CYS A 13 6.205 -5.887 5.379 1.00 0.25 H new ATOM 0 HB2 CYS A 13 6.920 -3.525 3.602 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.649 -5.118 3.593 1.00 0.29 H new ATOM 0 HG CYS A 13 5.810 -4.520 1.346 1.00 0.40 H new ATOM 217 N THR A 14 7.866 -4.960 6.946 1.00 0.23 N ATOM 218 CA THR A 14 8.845 -4.442 7.885 1.00 0.24 C ATOM 219 C THR A 14 10.235 -4.862 7.439 1.00 0.22 C ATOM 220 O THR A 14 10.546 -6.054 7.398 1.00 0.25 O ATOM 221 CB THR A 14 8.585 -4.972 9.308 1.00 0.31 C ATOM 222 OG1 THR A 14 7.214 -4.757 9.660 1.00 0.35 O ATOM 223 CG2 THR A 14 9.484 -4.285 10.325 1.00 0.35 C ATOM 0 H THR A 14 7.768 -5.975 6.953 1.00 0.23 H new ATOM 0 HA THR A 14 8.765 -3.355 7.903 1.00 0.24 H new ATOM 0 HB THR A 14 8.808 -6.039 9.319 1.00 0.31 H new ATOM 0 HG1 THR A 14 7.051 -5.097 10.565 1.00 0.35 H new ATOM 0 HG21 THR A 14 9.277 -4.680 11.319 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.528 -4.470 10.071 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.292 -3.212 10.314 1.00 0.35 H new ATOM 231 N MET A 15 11.074 -3.893 7.123 1.00 0.20 N ATOM 232 CA MET A 15 12.387 -4.187 6.576 1.00 0.19 C ATOM 233 C MET A 15 13.477 -3.502 7.380 1.00 0.21 C ATOM 234 O MET A 15 13.376 -2.324 7.714 1.00 0.21 O ATOM 235 CB MET A 15 12.463 -3.770 5.102 1.00 0.21 C ATOM 236 CG MET A 15 12.080 -2.321 4.858 1.00 0.24 C ATOM 237 SD MET A 15 12.146 -1.857 3.116 1.00 0.88 S ATOM 238 CE MET A 15 10.776 -2.810 2.465 1.00 0.28 C ATOM 0 H MET A 15 10.872 -2.900 7.235 1.00 0.20 H new ATOM 0 HA MET A 15 12.546 -5.264 6.640 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.477 -3.935 4.739 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.806 -4.414 4.517 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.072 -2.149 5.236 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.748 -1.674 5.426 1.00 0.24 H new ATOM 0 HE1 MET A 15 10.468 -2.395 1.505 1.00 0.28 H new ATOM 0 HE2 MET A 15 11.085 -3.846 2.330 1.00 0.28 H new ATOM 0 HE3 MET A 15 9.940 -2.769 3.163 1.00 0.28 H new ATOM 248 N LYS A 16 14.508 -4.264 7.690 1.00 0.29 N ATOM 249 CA LYS A 16 15.639 -3.763 8.449 1.00 0.37 C ATOM 250 C LYS A 16 16.873 -3.700 7.568 1.00 0.40 C ATOM 251 O LYS A 16 17.080 -4.554 6.708 1.00 0.48 O ATOM 252 CB LYS A 16 15.898 -4.657 9.666 1.00 0.50 C ATOM 253 CG LYS A 16 17.169 -4.298 10.417 1.00 0.90 C ATOM 254 CD LYS A 16 17.368 -5.170 11.640 1.00 1.09 C ATOM 255 CE LYS A 16 18.740 -4.949 12.253 1.00 1.96 C ATOM 256 NZ LYS A 16 18.992 -3.521 12.580 1.00 2.58 N ATOM 0 H LYS A 16 14.586 -5.246 7.424 1.00 0.29 H new ATOM 0 HA LYS A 16 15.409 -2.757 8.800 1.00 0.37 H new ATOM 0 HB2 LYS A 16 15.050 -4.586 10.347 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.959 -5.695 9.339 1.00 0.50 H new ATOM 0 HG2 LYS A 16 18.026 -4.404 9.752 1.00 0.90 H new ATOM 0 HG3 LYS A 16 17.129 -3.252 10.720 1.00 0.90 H new ATOM 0 HD2 LYS A 16 16.597 -4.948 12.378 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.254 -6.219 11.365 1.00 1.09 H new ATOM 0 HE2 LYS A 16 18.831 -5.548 13.159 1.00 1.96 H new ATOM 0 HE3 LYS A 16 19.505 -5.301 11.561 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 19.879 -3.439 13.117 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 19.067 -2.971 11.700 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 18.206 -3.152 13.152 1.00 2.58 H new ATOM 270 N LYS A 17 17.672 -2.672 7.787 1.00 0.41 N ATOM 271 CA LYS A 17 18.899 -2.463 7.042 1.00 0.50 C ATOM 272 C LYS A 17 19.882 -3.601 7.263 1.00 0.60 C ATOM 273 O LYS A 17 20.525 -3.701 8.307 1.00 0.67 O ATOM 274 CB LYS A 17 19.503 -1.124 7.446 1.00 0.51 C ATOM 275 CG LYS A 17 19.024 0.020 6.579 1.00 0.52 C ATOM 276 CD LYS A 17 19.419 1.368 7.157 1.00 0.53 C ATOM 277 CE LYS A 17 18.589 2.491 6.556 1.00 0.62 C ATOM 278 NZ LYS A 17 18.928 3.820 7.126 1.00 0.92 N ATOM 0 H LYS A 17 17.487 -1.956 8.489 1.00 0.41 H new ATOM 0 HA LYS A 17 18.671 -2.447 5.976 1.00 0.50 H new ATOM 0 HB2 LYS A 17 19.251 -0.916 8.486 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.590 -1.188 7.388 1.00 0.51 H new ATOM 0 HG2 LYS A 17 19.442 -0.083 5.578 1.00 0.52 H new ATOM 0 HG3 LYS A 17 17.940 -0.029 6.479 1.00 0.52 H new ATOM 0 HD2 LYS A 17 19.288 1.355 8.239 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.476 1.552 6.966 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.741 2.513 5.477 1.00 0.62 H new ATOM 0 HE3 LYS A 17 17.532 2.287 6.724 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.532 4.568 6.522 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 18.528 3.900 8.083 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.962 3.924 7.173 1.00 0.92 H new ATOM 292 N GLY A 18 19.989 -4.451 6.257 1.00 0.68 N ATOM 293 CA GLY A 18 20.867 -5.602 6.338 1.00 0.85 C ATOM 294 C GLY A 18 22.300 -5.233 6.025 1.00 1.05 C ATOM 295 O GLY A 18 23.106 -5.039 6.936 1.00 1.28 O ATOM 0 H GLY A 18 19.480 -4.365 5.377 1.00 0.68 H new ATOM 0 HA2 GLY A 18 20.812 -6.033 7.338 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.528 -6.369 5.641 1.00 0.85 H new ATOM 299 N PRO A 19 22.650 -5.112 4.734 1.00 1.24 N ATOM 300 CA PRO A 19 23.969 -4.638 4.313 1.00 1.57 C ATOM 301 C PRO A 19 24.083 -3.120 4.456 1.00 1.57 C ATOM 302 O PRO A 19 24.525 -2.424 3.538 1.00 2.23 O ATOM 303 CB PRO A 19 24.038 -5.054 2.843 1.00 1.91 C ATOM 304 CG PRO A 19 22.620 -5.055 2.387 1.00 1.86 C ATOM 305 CD PRO A 19 21.791 -5.447 3.582 1.00 1.40 C ATOM 0 HA PRO A 19 24.780 -5.050 4.914 1.00 1.57 H new ATOM 0 HB2 PRO A 19 24.641 -4.357 2.261 1.00 1.91 H new ATOM 0 HB3 PRO A 19 24.492 -6.039 2.730 1.00 1.91 H new ATOM 0 HG2 PRO A 19 22.330 -4.071 2.018 1.00 1.86 H new ATOM 0 HG3 PRO A 19 22.476 -5.758 1.567 1.00 1.86 H new ATOM 0 HD2 PRO A 19 20.850 -4.899 3.613 1.00 1.40 H new ATOM 0 HD3 PRO A 19 21.541 -6.508 3.565 1.00 1.40 H new ATOM 313 N SER A 20 23.661 -2.627 5.624 1.00 1.40 N ATOM 314 CA SER A 20 23.603 -1.198 5.915 1.00 1.65 C ATOM 315 C SER A 20 22.644 -0.490 4.957 1.00 1.43 C ATOM 316 O SER A 20 22.792 0.698 4.675 1.00 1.93 O ATOM 317 CB SER A 20 24.999 -0.574 5.840 1.00 2.14 C ATOM 318 OG SER A 20 25.917 -1.279 6.662 1.00 2.87 O ATOM 0 H SER A 20 23.349 -3.215 6.397 1.00 1.40 H new ATOM 0 HA SER A 20 23.226 -1.072 6.930 1.00 1.65 H new ATOM 0 HB2 SER A 20 25.350 -0.582 4.808 1.00 2.14 H new ATOM 0 HB3 SER A 20 24.952 0.469 6.153 1.00 2.14 H new ATOM 0 HG SER A 20 26.802 -0.863 6.596 1.00 2.87 H new ATOM 324 N GLY A 21 21.655 -1.229 4.467 1.00 1.04 N ATOM 325 CA GLY A 21 20.695 -0.670 3.541 1.00 0.94 C ATOM 326 C GLY A 21 19.616 -1.663 3.165 1.00 0.97 C ATOM 327 O GLY A 21 19.599 -2.789 3.668 1.00 1.93 O ATOM 0 H GLY A 21 21.503 -2.211 4.698 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.235 0.212 3.986 1.00 0.94 H new ATOM 0 HA3 GLY A 21 21.212 -0.340 2.640 1.00 0.94 H new ATOM 331 N TYR A 22 18.715 -1.244 2.287 1.00 0.74 N ATOM 332 CA TYR A 22 17.640 -2.106 1.815 1.00 0.70 C ATOM 333 C TYR A 22 17.930 -2.540 0.377 1.00 0.89 C ATOM 334 O TYR A 22 19.065 -2.438 -0.082 1.00 1.82 O ATOM 335 CB TYR A 22 16.296 -1.373 1.883 1.00 0.64 C ATOM 336 CG TYR A 22 16.037 -0.659 3.195 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.882 -1.383 4.372 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.951 0.731 3.267 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.647 -0.750 5.576 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.717 1.369 4.472 1.00 0.54 C ATOM 341 CZ TYR A 22 15.556 0.681 5.589 1.00 0.46 C ATOM 342 OH TYR A 22 15.333 1.250 6.823 1.00 0.59 O ATOM 0 H TYR A 22 18.708 -0.307 1.885 1.00 0.74 H new ATOM 0 HA TYR A 22 17.583 -2.987 2.455 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.252 -0.645 1.073 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.495 -2.092 1.710 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.947 -2.461 4.344 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.069 1.318 2.368 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.534 -1.319 6.487 1.00 0.46 H new ATOM 0 HE2 TYR A 22 15.665 2.447 4.500 1.00 0.54 H new ATOM 0 HH TYR A 22 15.797 0.730 7.512 1.00 0.59 H new ATOM 352 N GLY A 23 16.912 -3.014 -0.333 1.00 0.43 N ATOM 353 CA GLY A 23 17.125 -3.477 -1.692 1.00 0.42 C ATOM 354 C GLY A 23 15.889 -3.359 -2.559 1.00 0.39 C ATOM 355 O GLY A 23 15.244 -4.361 -2.868 1.00 0.39 O ATOM 0 H GLY A 23 15.952 -3.086 0.004 1.00 0.43 H new ATOM 0 HA2 GLY A 23 17.934 -2.903 -2.143 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.448 -4.518 -1.669 1.00 0.42 H new ATOM 359 N PHE A 24 15.552 -2.137 -2.946 1.00 0.37 N ATOM 360 CA PHE A 24 14.416 -1.903 -3.825 1.00 0.36 C ATOM 361 C PHE A 24 14.598 -0.596 -4.587 1.00 0.38 C ATOM 362 O PHE A 24 15.303 0.308 -4.131 1.00 0.40 O ATOM 363 CB PHE A 24 13.099 -1.876 -3.031 1.00 0.34 C ATOM 364 CG PHE A 24 12.990 -0.743 -2.041 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.560 -0.849 -0.781 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.325 0.428 -2.373 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.465 0.186 0.129 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.228 1.467 -1.468 1.00 0.36 C ATOM 369 CZ PHE A 24 12.775 1.346 -0.219 1.00 0.36 C ATOM 0 H PHE A 24 16.049 -1.292 -2.665 1.00 0.37 H new ATOM 0 HA PHE A 24 14.366 -2.725 -4.539 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.267 -1.810 -3.733 1.00 0.34 H new ATOM 0 HB3 PHE A 24 12.992 -2.820 -2.497 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.085 -1.752 -0.508 1.00 0.33 H new ATOM 0 HD2 PHE A 24 11.878 0.529 -3.351 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.922 0.097 1.103 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.719 2.378 -1.747 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.672 2.149 0.496 1.00 0.36 H new ATOM 379 N ASN A 25 13.971 -0.504 -5.746 1.00 0.43 N ATOM 380 CA ASN A 25 14.033 0.705 -6.549 1.00 0.46 C ATOM 381 C ASN A 25 12.682 1.406 -6.512 1.00 0.42 C ATOM 382 O ASN A 25 11.635 0.766 -6.646 1.00 0.39 O ATOM 383 CB ASN A 25 14.429 0.381 -7.990 1.00 0.51 C ATOM 384 CG ASN A 25 14.832 1.618 -8.771 1.00 1.23 C ATOM 385 OD1 ASN A 25 13.998 2.286 -9.382 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.118 1.927 -8.763 1.00 1.65 N ATOM 0 H ASN A 25 13.412 -1.254 -6.153 1.00 0.43 H new ATOM 0 HA ASN A 25 14.794 1.367 -6.135 1.00 0.46 H new ATOM 0 HB2 ASN A 25 15.257 -0.328 -7.986 1.00 0.51 H new ATOM 0 HB3 ASN A 25 13.594 -0.107 -8.493 1.00 0.51 H new ATOM 0 HD21 ASN A 25 16.449 2.744 -9.276 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.778 1.348 -8.244 1.00 1.65 H new ATOM 393 N LEU A 26 12.710 2.712 -6.318 1.00 0.50 N ATOM 394 CA LEU A 26 11.496 3.488 -6.121 1.00 0.52 C ATOM 395 C LEU A 26 11.146 4.300 -7.368 1.00 0.55 C ATOM 396 O LEU A 26 12.019 4.660 -8.153 1.00 0.73 O ATOM 397 CB LEU A 26 11.676 4.419 -4.917 1.00 0.69 C ATOM 398 CG LEU A 26 10.397 5.078 -4.397 1.00 0.87 C ATOM 399 CD1 LEU A 26 9.430 4.021 -3.891 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.721 6.078 -3.296 1.00 1.48 C ATOM 0 H LEU A 26 13.568 3.263 -6.292 1.00 0.50 H new ATOM 0 HA LEU A 26 10.673 2.799 -5.932 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.127 3.850 -4.104 1.00 0.69 H new ATOM 0 HB3 LEU A 26 12.383 5.203 -5.188 1.00 0.69 H new ATOM 0 HG LEU A 26 9.924 5.616 -5.218 1.00 0.87 H new ATOM 0 HD11 LEU A 26 8.524 4.503 -3.524 1.00 1.52 H new ATOM 0 HD12 LEU A 26 9.175 3.341 -4.704 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.896 3.459 -3.081 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.799 6.537 -2.938 1.00 1.48 H new ATOM 0 HD22 LEU A 26 11.214 5.564 -2.471 1.00 1.48 H new ATOM 0 HD23 LEU A 26 11.382 6.850 -3.689 1.00 1.48 H new ATOM 412 N HIS A 27 9.861 4.578 -7.541 1.00 0.56 N ATOM 413 CA HIS A 27 9.395 5.429 -8.628 1.00 0.67 C ATOM 414 C HIS A 27 8.988 6.775 -8.054 1.00 0.68 C ATOM 415 O HIS A 27 8.135 6.848 -7.170 1.00 0.95 O ATOM 416 CB HIS A 27 8.190 4.799 -9.337 1.00 1.23 C ATOM 417 CG HIS A 27 8.462 4.319 -10.733 1.00 0.70 C ATOM 418 ND1 HIS A 27 8.553 5.164 -11.814 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.622 3.068 -11.227 1.00 0.81 C ATOM 420 CE1 HIS A 27 8.759 4.459 -12.908 1.00 1.30 C ATOM 421 NE2 HIS A 27 8.804 3.181 -12.585 1.00 1.34 N ATOM 0 H HIS A 27 9.118 4.224 -6.938 1.00 0.56 H new ATOM 0 HA HIS A 27 10.200 5.548 -9.353 1.00 0.67 H new ATOM 0 HB2 HIS A 27 7.834 3.958 -8.741 1.00 1.23 H new ATOM 0 HB3 HIS A 27 7.382 5.530 -9.370 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.609 2.150 -10.658 1.00 0.81 H new ATOM 0 HE1 HIS A 27 8.872 4.861 -13.904 1.00 1.30 H new ATOM 0 HE2 HIS A 27 8.949 2.407 -13.233 1.00 1.34 H new ATOM 430 N SER A 28 9.606 7.833 -8.551 1.00 0.75 N ATOM 431 CA SER A 28 9.395 9.162 -8.002 1.00 1.14 C ATOM 432 C SER A 28 9.124 10.175 -9.103 1.00 1.03 C ATOM 433 O SER A 28 9.736 11.244 -9.159 1.00 1.34 O ATOM 434 CB SER A 28 10.610 9.569 -7.177 1.00 1.74 C ATOM 435 OG SER A 28 11.820 9.292 -7.868 1.00 2.30 O ATOM 0 H SER A 28 10.258 7.798 -9.334 1.00 0.75 H new ATOM 0 HA SER A 28 8.516 9.140 -7.357 1.00 1.14 H new ATOM 0 HB2 SER A 28 10.556 10.633 -6.947 1.00 1.74 H new ATOM 0 HB3 SER A 28 10.602 9.036 -6.226 1.00 1.74 H new ATOM 0 HG SER A 28 12.582 9.565 -7.316 1.00 2.30 H new ATOM 529 N GLN A 35 4.291 6.974 -4.195 1.00 0.74 N ATOM 530 CA GLN A 35 5.524 6.331 -4.614 1.00 0.59 C ATOM 531 C GLN A 35 5.258 4.885 -5.018 1.00 0.52 C ATOM 532 O GLN A 35 4.632 4.127 -4.277 1.00 0.58 O ATOM 533 CB GLN A 35 6.565 6.397 -3.493 1.00 0.58 C ATOM 534 CG GLN A 35 6.811 7.809 -2.968 1.00 0.82 C ATOM 535 CD GLN A 35 7.395 8.747 -4.014 1.00 0.75 C ATOM 536 OE1 GLN A 35 8.611 8.873 -4.139 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.535 9.416 -4.767 1.00 0.78 N ATOM 0 HA GLN A 35 5.918 6.862 -5.481 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.239 5.764 -2.668 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.506 5.985 -3.858 1.00 0.58 H new ATOM 0 HG2 GLN A 35 5.871 8.223 -2.604 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.489 7.759 -2.116 1.00 0.82 H new ATOM 0 HE21 GLN A 35 5.532 9.286 -4.634 1.00 0.78 H new ATOM 0 HE22 GLN A 35 6.876 10.062 -5.479 1.00 0.78 H new ATOM 546 N PHE A 36 5.725 4.514 -6.201 1.00 0.47 N ATOM 547 CA PHE A 36 5.497 3.176 -6.738 1.00 0.43 C ATOM 548 C PHE A 36 6.756 2.330 -6.617 1.00 0.39 C ATOM 549 O PHE A 36 7.870 2.855 -6.639 1.00 0.45 O ATOM 550 CB PHE A 36 5.080 3.256 -8.212 1.00 0.48 C ATOM 551 CG PHE A 36 3.770 3.958 -8.452 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.701 5.341 -8.440 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.609 3.235 -8.684 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.502 5.990 -8.656 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.407 3.880 -8.901 1.00 0.81 C ATOM 556 CZ PHE A 36 1.349 5.246 -8.903 1.00 0.87 C ATOM 0 H PHE A 36 6.268 5.124 -6.813 1.00 0.47 H new ATOM 0 HA PHE A 36 4.697 2.712 -6.161 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.862 3.771 -8.770 1.00 0.48 H new ATOM 0 HB3 PHE A 36 5.015 2.245 -8.614 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.596 5.919 -8.260 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.645 2.156 -8.695 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.457 7.069 -8.634 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.510 3.303 -9.070 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.412 5.748 -9.095 1.00 0.87 H new ATOM 566 N ILE A 37 6.582 1.021 -6.496 1.00 0.36 N ATOM 567 CA ILE A 37 7.714 0.113 -6.411 1.00 0.33 C ATOM 568 C ILE A 37 8.149 -0.316 -7.806 1.00 0.33 C ATOM 569 O ILE A 37 7.477 -1.108 -8.471 1.00 0.38 O ATOM 570 CB ILE A 37 7.391 -1.140 -5.562 1.00 0.34 C ATOM 571 CG1 ILE A 37 6.906 -0.730 -4.164 1.00 0.39 C ATOM 572 CG2 ILE A 37 8.615 -2.046 -5.458 1.00 0.33 C ATOM 573 CD1 ILE A 37 7.912 0.088 -3.383 1.00 0.38 C ATOM 0 H ILE A 37 5.670 0.567 -6.455 1.00 0.36 H new ATOM 0 HA ILE A 37 8.524 0.652 -5.919 1.00 0.33 H new ATOM 0 HB ILE A 37 6.593 -1.695 -6.056 1.00 0.34 H new ATOM 0 HG12 ILE A 37 5.984 -0.157 -4.263 1.00 0.39 H new ATOM 0 HG13 ILE A 37 6.663 -1.628 -3.596 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.369 -2.922 -4.858 1.00 0.33 H new ATOM 0 HG22 ILE A 37 8.919 -2.363 -6.456 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.432 -1.501 -4.986 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.497 0.339 -2.407 1.00 0.38 H new ATOM 0 HD12 ILE A 37 8.827 -0.490 -3.251 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.137 1.005 -3.928 1.00 0.38 H new ATOM 585 N ARG A 38 9.278 0.233 -8.235 1.00 0.34 N ATOM 586 CA ARG A 38 9.861 -0.068 -9.536 1.00 0.41 C ATOM 587 C ARG A 38 10.252 -1.536 -9.619 1.00 0.40 C ATOM 588 O ARG A 38 9.830 -2.253 -10.524 1.00 0.49 O ATOM 589 CB ARG A 38 11.086 0.827 -9.748 1.00 0.50 C ATOM 590 CG ARG A 38 12.025 0.392 -10.864 1.00 0.67 C ATOM 591 CD ARG A 38 11.470 0.690 -12.242 1.00 1.24 C ATOM 592 NE ARG A 38 12.533 0.696 -13.244 1.00 1.56 N ATOM 593 CZ ARG A 38 12.382 0.297 -14.504 1.00 2.17 C ATOM 594 NH1 ARG A 38 11.227 -0.207 -14.918 1.00 2.83 N ATOM 595 NH2 ARG A 38 13.407 0.384 -15.342 1.00 2.62 N ATOM 0 H ARG A 38 9.818 0.903 -7.687 1.00 0.34 H new ATOM 0 HA ARG A 38 9.127 0.127 -10.318 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.743 1.840 -9.959 1.00 0.50 H new ATOM 0 HB3 ARG A 38 11.650 0.869 -8.816 1.00 0.50 H new ATOM 0 HG2 ARG A 38 12.983 0.898 -10.745 1.00 0.67 H new ATOM 0 HG3 ARG A 38 12.216 -0.678 -10.777 1.00 0.67 H new ATOM 0 HD2 ARG A 38 10.721 -0.057 -12.506 1.00 1.24 H new ATOM 0 HD3 ARG A 38 10.967 1.657 -12.234 1.00 1.24 H new ATOM 0 HE ARG A 38 13.454 1.029 -12.958 1.00 1.56 H new ATOM 0 HH11 ARG A 38 10.445 -0.291 -14.268 1.00 2.83 H new ATOM 0 HH12 ARG A 38 11.121 -0.510 -15.886 1.00 2.83 H new ATOM 0 HH21 ARG A 38 14.301 0.754 -15.018 1.00 2.62 H new ATOM 0 HH22 ARG A 38 13.301 0.081 -16.310 1.00 2.62 H new ATOM 609 N SER A 39 11.047 -1.974 -8.661 1.00 0.36 N ATOM 610 CA SER A 39 11.516 -3.346 -8.626 1.00 0.40 C ATOM 611 C SER A 39 12.165 -3.639 -7.283 1.00 0.32 C ATOM 612 O SER A 39 12.906 -2.810 -6.750 1.00 0.37 O ATOM 613 CB SER A 39 12.513 -3.589 -9.768 1.00 0.54 C ATOM 614 OG SER A 39 13.550 -2.617 -9.762 1.00 1.26 O ATOM 0 H SER A 39 11.383 -1.395 -7.892 1.00 0.36 H new ATOM 0 HA SER A 39 10.667 -4.017 -8.756 1.00 0.40 H new ATOM 0 HB2 SER A 39 12.945 -4.585 -9.671 1.00 0.54 H new ATOM 0 HB3 SER A 39 11.989 -3.560 -10.724 1.00 0.54 H new ATOM 0 HG SER A 39 14.171 -2.797 -10.498 1.00 1.26 H new ATOM 620 N VAL A 40 11.874 -4.800 -6.725 1.00 0.36 N ATOM 621 CA VAL A 40 12.510 -5.215 -5.489 1.00 0.30 C ATOM 622 C VAL A 40 13.584 -6.253 -5.797 1.00 0.31 C ATOM 623 O VAL A 40 13.355 -7.196 -6.557 1.00 0.37 O ATOM 624 CB VAL A 40 11.483 -5.771 -4.473 1.00 0.33 C ATOM 625 CG1 VAL A 40 10.767 -6.999 -5.014 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.155 -6.077 -3.146 1.00 0.32 C ATOM 0 H VAL A 40 11.205 -5.469 -7.106 1.00 0.36 H new ATOM 0 HA VAL A 40 12.971 -4.341 -5.028 1.00 0.30 H new ATOM 0 HB VAL A 40 10.730 -5.000 -4.309 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.054 -7.361 -4.273 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.237 -6.737 -5.930 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.496 -7.781 -5.228 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.416 -6.467 -2.445 1.00 0.32 H new ATOM 0 HG22 VAL A 40 12.938 -6.819 -3.298 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.593 -5.165 -2.741 1.00 0.32 H new ATOM 636 N ASP A 41 14.770 -6.053 -5.253 1.00 0.35 N ATOM 637 CA ASP A 41 15.887 -6.948 -5.516 1.00 0.45 C ATOM 638 C ASP A 41 15.717 -8.242 -4.741 1.00 0.48 C ATOM 639 O ASP A 41 15.358 -8.223 -3.563 1.00 0.51 O ATOM 640 CB ASP A 41 17.213 -6.279 -5.150 1.00 0.54 C ATOM 641 CG ASP A 41 17.580 -5.157 -6.100 1.00 1.27 C ATOM 642 OD1 ASP A 41 17.092 -4.024 -5.908 1.00 2.28 O ATOM 643 OD2 ASP A 41 18.362 -5.401 -7.045 1.00 1.32 O ATOM 0 H ASP A 41 14.987 -5.279 -4.625 1.00 0.35 H new ATOM 0 HA ASP A 41 15.902 -7.177 -6.582 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.149 -5.885 -4.136 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.006 -7.027 -5.153 1.00 0.54 H new ATOM 648 N PRO A 42 15.962 -9.382 -5.400 1.00 0.58 N ATOM 649 CA PRO A 42 15.805 -10.702 -4.786 1.00 0.69 C ATOM 650 C PRO A 42 16.769 -10.922 -3.629 1.00 0.69 C ATOM 651 O PRO A 42 17.938 -10.532 -3.695 1.00 1.17 O ATOM 652 CB PRO A 42 16.099 -11.677 -5.930 1.00 0.84 C ATOM 653 CG PRO A 42 16.904 -10.893 -6.908 1.00 0.93 C ATOM 654 CD PRO A 42 16.412 -9.478 -6.801 1.00 0.69 C ATOM 0 HA PRO A 42 14.813 -10.830 -4.354 1.00 0.69 H new ATOM 0 HB2 PRO A 42 16.649 -12.548 -5.574 1.00 0.84 H new ATOM 0 HB3 PRO A 42 15.178 -12.045 -6.382 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.968 -10.956 -6.678 1.00 0.93 H new ATOM 0 HG3 PRO A 42 16.773 -11.277 -7.920 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.202 -8.760 -7.020 1.00 0.69 H new ATOM 0 HD3 PRO A 42 15.599 -9.281 -7.499 1.00 0.69 H new ATOM 662 N ASP A 43 16.256 -11.542 -2.573 1.00 0.75 N ATOM 663 CA ASP A 43 17.021 -11.826 -1.362 1.00 0.87 C ATOM 664 C ASP A 43 17.511 -10.534 -0.715 1.00 0.70 C ATOM 665 O ASP A 43 18.684 -10.383 -0.371 1.00 0.86 O ATOM 666 CB ASP A 43 18.190 -12.769 -1.660 1.00 1.14 C ATOM 667 CG ASP A 43 18.862 -13.269 -0.399 1.00 1.69 C ATOM 668 OD1 ASP A 43 18.150 -13.672 0.544 1.00 1.92 O ATOM 669 OD2 ASP A 43 20.111 -13.245 -0.334 1.00 2.40 O ATOM 0 H ASP A 43 15.289 -11.865 -2.531 1.00 0.75 H new ATOM 0 HA ASP A 43 16.360 -12.327 -0.655 1.00 0.87 H new ATOM 0 HB2 ASP A 43 17.829 -13.620 -2.238 1.00 1.14 H new ATOM 0 HB3 ASP A 43 18.923 -12.251 -2.279 1.00 1.14 H new ATOM 674 N SER A 44 16.601 -9.593 -0.569 1.00 0.57 N ATOM 675 CA SER A 44 16.902 -8.356 0.120 1.00 0.48 C ATOM 676 C SER A 44 15.975 -8.201 1.315 1.00 0.40 C ATOM 677 O SER A 44 14.925 -8.844 1.364 1.00 0.39 O ATOM 678 CB SER A 44 16.737 -7.164 -0.825 1.00 0.47 C ATOM 679 OG SER A 44 15.387 -7.030 -1.238 1.00 0.46 O ATOM 0 H SER A 44 15.645 -9.662 -0.919 1.00 0.57 H new ATOM 0 HA SER A 44 17.936 -8.386 0.464 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.061 -6.251 -0.326 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.377 -7.295 -1.697 1.00 0.47 H new ATOM 0 HG SER A 44 15.319 -7.213 -2.198 1.00 0.46 H new ATOM 685 N PRO A 45 16.332 -7.358 2.296 1.00 0.43 N ATOM 686 CA PRO A 45 15.447 -7.052 3.421 1.00 0.45 C ATOM 687 C PRO A 45 14.083 -6.556 2.944 1.00 0.38 C ATOM 688 O PRO A 45 13.063 -6.765 3.603 1.00 0.39 O ATOM 689 CB PRO A 45 16.183 -5.941 4.180 1.00 0.57 C ATOM 690 CG PRO A 45 17.279 -5.488 3.274 1.00 0.65 C ATOM 691 CD PRO A 45 17.618 -6.662 2.407 1.00 0.52 C ATOM 0 HA PRO A 45 15.246 -7.931 4.034 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.509 -5.119 4.420 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.583 -6.311 5.124 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.959 -4.638 2.671 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.148 -5.163 3.846 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.996 -6.351 1.433 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.383 -7.293 2.860 1.00 0.52 H new ATOM 699 N ALA A 46 14.079 -5.917 1.780 1.00 0.35 N ATOM 700 CA ALA A 46 12.854 -5.403 1.191 1.00 0.33 C ATOM 701 C ALA A 46 11.970 -6.548 0.711 1.00 0.30 C ATOM 702 O ALA A 46 10.790 -6.619 1.043 1.00 0.31 O ATOM 703 CB ALA A 46 13.175 -4.460 0.043 1.00 0.36 C ATOM 0 H ALA A 46 14.917 -5.743 1.225 1.00 0.35 H new ATOM 0 HA ALA A 46 12.310 -4.847 1.954 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.248 -4.083 -0.388 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.769 -3.624 0.414 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.739 -4.995 -0.721 1.00 0.36 H new ATOM 709 N GLU A 47 12.553 -7.458 -0.057 1.00 0.31 N ATOM 710 CA GLU A 47 11.818 -8.605 -0.567 1.00 0.33 C ATOM 711 C GLU A 47 11.380 -9.513 0.581 1.00 0.34 C ATOM 712 O GLU A 47 10.287 -10.077 0.556 1.00 0.40 O ATOM 713 CB GLU A 47 12.672 -9.380 -1.572 1.00 0.40 C ATOM 714 CG GLU A 47 11.976 -10.596 -2.155 1.00 0.53 C ATOM 715 CD GLU A 47 12.805 -11.287 -3.212 1.00 1.12 C ATOM 716 OE1 GLU A 47 13.690 -12.091 -2.844 1.00 2.01 O ATOM 717 OE2 GLU A 47 12.585 -11.027 -4.411 1.00 1.51 O ATOM 0 H GLU A 47 13.532 -7.424 -0.340 1.00 0.31 H new ATOM 0 HA GLU A 47 10.925 -8.246 -1.079 1.00 0.33 H new ATOM 0 HB2 GLU A 47 12.957 -8.712 -2.384 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.593 -9.699 -1.083 1.00 0.40 H new ATOM 0 HG2 GLU A 47 11.753 -11.301 -1.354 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.022 -10.292 -2.587 1.00 0.53 H new ATOM 724 N ALA A 48 12.228 -9.619 1.598 1.00 0.34 N ATOM 725 CA ALA A 48 11.938 -10.449 2.761 1.00 0.38 C ATOM 726 C ALA A 48 10.773 -9.888 3.578 1.00 0.37 C ATOM 727 O ALA A 48 10.023 -10.641 4.197 1.00 0.47 O ATOM 728 CB ALA A 48 13.178 -10.584 3.634 1.00 0.44 C ATOM 0 H ALA A 48 13.126 -9.138 1.640 1.00 0.34 H new ATOM 0 HA ALA A 48 11.645 -11.435 2.400 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.948 -11.206 4.499 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.980 -11.046 3.058 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.495 -9.597 3.971 1.00 0.44 H new ATOM 734 N SER A 49 10.622 -8.564 3.574 1.00 0.31 N ATOM 735 CA SER A 49 9.552 -7.916 4.322 1.00 0.32 C ATOM 736 C SER A 49 8.199 -8.145 3.644 1.00 0.35 C ATOM 737 O SER A 49 7.146 -8.001 4.265 1.00 0.40 O ATOM 738 CB SER A 49 9.845 -6.416 4.463 1.00 0.32 C ATOM 739 OG SER A 49 9.750 -5.738 3.223 1.00 0.31 O ATOM 0 H SER A 49 11.227 -7.923 3.061 1.00 0.31 H new ATOM 0 HA SER A 49 9.505 -8.357 5.318 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.144 -5.975 5.172 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.845 -6.279 4.875 1.00 0.32 H new ATOM 0 HG SER A 49 10.392 -6.122 2.590 1.00 0.31 H new ATOM 745 N GLY A 50 8.241 -8.522 2.371 1.00 0.36 N ATOM 746 CA GLY A 50 7.019 -8.784 1.635 1.00 0.43 C ATOM 747 C GLY A 50 6.741 -7.735 0.579 1.00 0.43 C ATOM 748 O GLY A 50 5.631 -7.663 0.049 1.00 0.62 O ATOM 0 H GLY A 50 9.100 -8.651 1.836 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.087 -9.763 1.161 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.181 -8.825 2.331 1.00 0.43 H new ATOM 752 N LEU A 51 7.748 -6.922 0.272 1.00 0.41 N ATOM 753 CA LEU A 51 7.608 -5.879 -0.734 1.00 0.40 C ATOM 754 C LEU A 51 7.515 -6.493 -2.124 1.00 0.48 C ATOM 755 O LEU A 51 8.463 -7.119 -2.604 1.00 0.65 O ATOM 756 CB LEU A 51 8.789 -4.908 -0.666 1.00 0.38 C ATOM 757 CG LEU A 51 8.660 -3.667 -1.547 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.454 -2.843 -1.131 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.926 -2.832 -1.474 1.00 0.37 C ATOM 0 H LEU A 51 8.670 -6.967 0.707 1.00 0.41 H new ATOM 0 HA LEU A 51 6.690 -5.327 -0.532 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.917 -4.588 0.368 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.696 -5.443 -0.949 1.00 0.38 H new ATOM 0 HG LEU A 51 8.517 -3.988 -2.579 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.377 -1.963 -1.769 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.550 -3.444 -1.232 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.568 -2.530 -0.093 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.818 -1.951 -2.107 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.097 -2.519 -0.444 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.773 -3.425 -1.818 1.00 0.37 H new ATOM 771 N ARG A 52 6.364 -6.322 -2.753 1.00 0.53 N ATOM 772 CA ARG A 52 6.124 -6.860 -4.082 1.00 0.65 C ATOM 773 C ARG A 52 6.358 -5.778 -5.130 1.00 0.55 C ATOM 774 O ARG A 52 6.181 -4.590 -4.859 1.00 0.61 O ATOM 775 CB ARG A 52 4.690 -7.387 -4.173 1.00 0.86 C ATOM 776 CG ARG A 52 4.382 -8.113 -5.472 1.00 1.23 C ATOM 777 CD ARG A 52 2.941 -8.591 -5.513 1.00 2.05 C ATOM 778 NE ARG A 52 2.647 -9.345 -6.732 1.00 2.59 N ATOM 779 CZ ARG A 52 1.439 -9.807 -7.049 1.00 3.57 C ATOM 780 NH1 ARG A 52 0.404 -9.591 -6.244 1.00 4.13 N ATOM 781 NH2 ARG A 52 1.259 -10.492 -8.170 1.00 4.38 N ATOM 0 H ARG A 52 5.574 -5.810 -2.360 1.00 0.53 H new ATOM 0 HA ARG A 52 6.815 -7.682 -4.269 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.508 -8.064 -3.338 1.00 0.86 H new ATOM 0 HB3 ARG A 52 3.999 -6.552 -4.062 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.570 -7.448 -6.315 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.053 -8.965 -5.582 1.00 1.23 H new ATOM 0 HD2 ARG A 52 2.742 -9.217 -4.643 1.00 2.05 H new ATOM 0 HD3 ARG A 52 2.272 -7.733 -5.448 1.00 2.05 H new ATOM 0 HE ARG A 52 3.414 -9.528 -7.379 1.00 2.59 H new ATOM 0 HH11 ARG A 52 0.532 -9.069 -5.377 1.00 4.13 H new ATOM 0 HH12 ARG A 52 -0.519 -9.948 -6.493 1.00 4.13 H new ATOM 0 HH21 ARG A 52 2.047 -10.667 -8.793 1.00 4.38 H new ATOM 0 HH22 ARG A 52 0.332 -10.844 -8.409 1.00 4.38 H new ATOM 795 N ALA A 53 6.788 -6.191 -6.314 1.00 0.53 N ATOM 796 CA ALA A 53 6.995 -5.263 -7.414 1.00 0.54 C ATOM 797 C ALA A 53 5.658 -4.820 -8.001 1.00 0.61 C ATOM 798 O ALA A 53 4.670 -5.557 -7.934 1.00 1.44 O ATOM 799 CB ALA A 53 7.872 -5.899 -8.482 1.00 0.68 C ATOM 0 H ALA A 53 7.000 -7.164 -6.536 1.00 0.53 H new ATOM 0 HA ALA A 53 7.505 -4.379 -7.033 1.00 0.54 H new ATOM 0 HB1 ALA A 53 8.019 -5.193 -9.300 1.00 0.68 H new ATOM 0 HB2 ALA A 53 8.838 -6.161 -8.051 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.388 -6.799 -8.862 1.00 0.68 H new ATOM 805 N GLN A 54 5.644 -3.610 -8.563 1.00 0.65 N ATOM 806 CA GLN A 54 4.440 -3.005 -9.142 1.00 0.74 C ATOM 807 C GLN A 54 3.428 -2.613 -8.065 1.00 0.59 C ATOM 808 O GLN A 54 2.285 -2.267 -8.372 1.00 0.67 O ATOM 809 CB GLN A 54 3.778 -3.914 -10.192 1.00 0.99 C ATOM 810 CG GLN A 54 4.475 -3.910 -11.549 1.00 1.46 C ATOM 811 CD GLN A 54 5.735 -4.754 -11.586 1.00 2.34 C ATOM 812 OE1 GLN A 54 5.839 -5.774 -10.907 1.00 2.99 O ATOM 813 NE2 GLN A 54 6.705 -4.334 -12.381 1.00 3.06 N ATOM 0 H GLN A 54 6.472 -3.018 -8.630 1.00 0.65 H new ATOM 0 HA GLN A 54 4.769 -2.098 -9.648 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.755 -4.935 -9.810 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.743 -3.601 -10.327 1.00 0.99 H new ATOM 0 HG2 GLN A 54 3.781 -4.275 -12.306 1.00 1.46 H new ATOM 0 HG3 GLN A 54 4.727 -2.884 -11.816 1.00 1.46 H new ATOM 0 HE21 GLN A 54 6.582 -3.483 -12.929 1.00 3.06 H new ATOM 0 HE22 GLN A 54 7.576 -4.861 -12.446 1.00 3.06 H new ATOM 822 N ASP A 55 3.853 -2.661 -6.809 1.00 0.47 N ATOM 823 CA ASP A 55 3.023 -2.201 -5.703 1.00 0.45 C ATOM 824 C ASP A 55 3.179 -0.697 -5.535 1.00 0.39 C ATOM 825 O ASP A 55 4.068 -0.085 -6.135 1.00 0.48 O ATOM 826 CB ASP A 55 3.394 -2.914 -4.397 1.00 0.50 C ATOM 827 CG ASP A 55 2.731 -4.275 -4.243 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.215 -4.804 -5.254 1.00 1.02 O ATOM 829 OD2 ASP A 55 2.727 -4.825 -3.120 1.00 1.01 O ATOM 0 H ASP A 55 4.768 -3.014 -6.531 1.00 0.47 H new ATOM 0 HA ASP A 55 1.984 -2.437 -5.934 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.476 -3.038 -4.354 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.112 -2.283 -3.554 1.00 0.50 H new ATOM 834 N ARG A 56 2.319 -0.097 -4.731 1.00 0.38 N ATOM 835 CA ARG A 56 2.361 1.335 -4.519 1.00 0.42 C ATOM 836 C ARG A 56 2.313 1.639 -3.025 1.00 0.39 C ATOM 837 O ARG A 56 1.475 1.099 -2.301 1.00 0.39 O ATOM 838 CB ARG A 56 1.195 1.989 -5.269 1.00 0.56 C ATOM 839 CG ARG A 56 1.310 3.494 -5.420 1.00 0.78 C ATOM 840 CD ARG A 56 0.643 4.221 -4.276 1.00 0.79 C ATOM 841 NE ARG A 56 -0.769 3.862 -4.154 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.480 4.072 -3.058 1.00 0.91 C ATOM 843 NH1 ARG A 56 -0.880 4.533 -1.973 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.769 3.765 -3.030 1.00 1.57 N ATOM 0 H ARG A 56 1.584 -0.581 -4.215 1.00 0.38 H new ATOM 0 HA ARG A 56 3.292 1.746 -4.909 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.120 1.542 -6.260 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.267 1.759 -4.745 1.00 0.56 H new ATOM 0 HG2 ARG A 56 2.362 3.776 -5.467 1.00 0.78 H new ATOM 0 HG3 ARG A 56 0.855 3.801 -6.362 1.00 0.78 H new ATOM 0 HD2 ARG A 56 1.160 3.986 -3.345 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.733 5.297 -4.427 1.00 0.79 H new ATOM 0 HE ARG A 56 -1.229 3.428 -4.954 1.00 0.89 H new ATOM 0 HH11 ARG A 56 0.122 4.723 -1.986 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -1.419 4.698 -1.123 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -3.216 3.365 -3.855 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.314 3.928 -2.183 1.00 1.57 H new ATOM 858 N ILE A 57 3.224 2.495 -2.573 1.00 0.40 N ATOM 859 CA ILE A 57 3.358 2.808 -1.153 1.00 0.38 C ATOM 860 C ILE A 57 2.204 3.676 -0.669 1.00 0.38 C ATOM 861 O ILE A 57 1.853 4.680 -1.294 1.00 0.49 O ATOM 862 CB ILE A 57 4.699 3.515 -0.852 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.872 2.638 -1.305 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.815 3.835 0.635 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.230 3.262 -1.063 1.00 0.68 C ATOM 0 H ILE A 57 3.885 2.988 -3.174 1.00 0.40 H new ATOM 0 HA ILE A 57 3.337 1.859 -0.616 1.00 0.38 H new ATOM 0 HB ILE A 57 4.729 4.453 -1.406 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.823 1.683 -0.782 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.765 2.425 -2.369 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.766 4.332 0.827 1.00 0.45 H new ATOM 0 HG22 ILE A 57 3.996 4.491 0.931 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.766 2.911 1.211 1.00 0.45 H new ATOM 0 HD11 ILE A 57 8.009 2.583 -1.409 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.300 4.203 -1.608 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.359 3.450 0.003 1.00 0.68 H new ATOM 877 N VAL A 58 1.608 3.260 0.436 1.00 0.29 N ATOM 878 CA VAL A 58 0.499 3.971 1.040 1.00 0.32 C ATOM 879 C VAL A 58 0.941 4.676 2.318 1.00 0.30 C ATOM 880 O VAL A 58 0.657 5.857 2.521 1.00 0.37 O ATOM 881 CB VAL A 58 -0.652 3.014 1.388 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.865 3.796 1.854 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.997 2.120 0.207 1.00 0.62 C ATOM 0 H VAL A 58 1.882 2.416 0.939 1.00 0.29 H new ATOM 0 HA VAL A 58 0.154 4.704 0.311 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.326 2.369 2.204 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.672 3.105 2.097 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.606 4.376 2.739 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.190 4.469 1.061 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.814 1.453 0.482 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.300 2.736 -0.639 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.124 1.529 -0.069 1.00 0.62 H new ATOM 893 N GLU A 59 1.635 3.940 3.177 1.00 0.24 N ATOM 894 CA GLU A 59 2.067 4.469 4.464 1.00 0.25 C ATOM 895 C GLU A 59 3.524 4.127 4.725 1.00 0.22 C ATOM 896 O GLU A 59 4.014 3.085 4.284 1.00 0.23 O ATOM 897 CB GLU A 59 1.214 3.904 5.608 1.00 0.29 C ATOM 898 CG GLU A 59 -0.248 4.315 5.568 1.00 0.40 C ATOM 899 CD GLU A 59 -0.951 4.043 6.883 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.204 2.860 7.193 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.278 5.008 7.599 1.00 0.89 O ATOM 0 H GLU A 59 1.911 2.973 3.005 1.00 0.24 H new ATOM 0 HA GLU A 59 1.946 5.552 4.426 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.273 2.816 5.585 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.643 4.226 6.557 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.320 5.377 5.332 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.754 3.775 4.768 1.00 0.40 H new ATOM 908 N VAL A 60 4.207 5.008 5.438 1.00 0.22 N ATOM 909 CA VAL A 60 5.571 4.747 5.880 1.00 0.21 C ATOM 910 C VAL A 60 5.664 4.915 7.389 1.00 0.22 C ATOM 911 O VAL A 60 5.399 5.995 7.911 1.00 0.27 O ATOM 912 CB VAL A 60 6.600 5.683 5.209 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.010 5.351 5.685 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.510 5.592 3.693 1.00 0.66 C ATOM 0 H VAL A 60 3.839 5.915 5.725 1.00 0.22 H new ATOM 0 HA VAL A 60 5.809 3.724 5.590 1.00 0.21 H new ATOM 0 HB VAL A 60 6.369 6.708 5.499 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.724 6.019 5.203 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.068 5.477 6.766 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.248 4.319 5.427 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.245 6.260 3.244 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.710 4.568 3.377 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.510 5.882 3.370 1.00 0.66 H new ATOM 924 N ASN A 61 6.004 3.830 8.079 1.00 0.25 N ATOM 925 CA ASN A 61 6.176 3.838 9.536 1.00 0.30 C ATOM 926 C ASN A 61 4.895 4.280 10.240 1.00 0.36 C ATOM 927 O ASN A 61 4.933 4.891 11.307 1.00 0.47 O ATOM 928 CB ASN A 61 7.347 4.743 9.949 1.00 0.39 C ATOM 929 CG ASN A 61 8.669 4.310 9.340 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.886 3.132 9.061 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.560 5.264 9.122 1.00 0.61 N ATOM 0 H ASN A 61 6.169 2.920 7.649 1.00 0.25 H new ATOM 0 HA ASN A 61 6.403 2.817 9.844 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.132 5.768 9.647 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.435 4.742 11.035 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.464 5.033 8.709 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.343 6.230 9.367 1.00 0.61 H new ATOM 938 N GLY A 62 3.757 3.972 9.627 1.00 0.37 N ATOM 939 CA GLY A 62 2.477 4.313 10.218 1.00 0.50 C ATOM 940 C GLY A 62 2.046 5.735 9.908 1.00 0.51 C ATOM 941 O GLY A 62 1.131 6.262 10.540 1.00 0.66 O ATOM 0 H GLY A 62 3.699 3.491 8.729 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.718 3.621 9.854 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.535 4.183 11.299 1.00 0.50 H new ATOM 945 N VAL A 63 2.717 6.366 8.957 1.00 0.42 N ATOM 946 CA VAL A 63 2.347 7.705 8.516 1.00 0.50 C ATOM 947 C VAL A 63 1.699 7.647 7.137 1.00 0.43 C ATOM 948 O VAL A 63 2.305 7.158 6.177 1.00 0.39 O ATOM 949 CB VAL A 63 3.571 8.648 8.470 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.161 10.049 8.042 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.271 8.688 9.821 1.00 1.17 C ATOM 0 H VAL A 63 3.524 5.972 8.473 1.00 0.42 H new ATOM 0 HA VAL A 63 1.636 8.102 9.240 1.00 0.50 H new ATOM 0 HB VAL A 63 4.270 8.256 7.731 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.040 10.694 8.017 1.00 0.98 H new ATOM 0 HG12 VAL A 63 2.712 10.009 7.050 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.437 10.449 8.752 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.129 9.357 9.766 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.577 9.049 10.580 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.609 7.686 10.086 1.00 1.17 H new ATOM 961 N CYS A 64 0.464 8.125 7.058 1.00 0.49 N ATOM 962 CA CYS A 64 -0.291 8.139 5.816 1.00 0.49 C ATOM 963 C CYS A 64 0.356 9.049 4.782 1.00 0.47 C ATOM 964 O CYS A 64 0.610 10.226 5.041 1.00 0.51 O ATOM 965 CB CYS A 64 -1.724 8.597 6.089 1.00 0.59 C ATOM 966 SG CYS A 64 -2.693 7.451 7.094 1.00 1.68 S ATOM 0 H CYS A 64 -0.041 8.514 7.854 1.00 0.49 H new ATOM 0 HA CYS A 64 -0.299 7.126 5.413 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.694 9.565 6.590 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -2.233 8.746 5.137 1.00 0.59 H new ATOM 0 HG CYS A 64 -2.177 6.260 7.013 1.00 1.68 H new ATOM 972 N MET A 65 0.611 8.495 3.608 1.00 0.48 N ATOM 973 CA MET A 65 1.176 9.250 2.505 1.00 0.53 C ATOM 974 C MET A 65 0.084 9.524 1.485 1.00 0.61 C ATOM 975 O MET A 65 0.066 8.956 0.391 1.00 0.81 O ATOM 976 CB MET A 65 2.344 8.493 1.868 1.00 0.61 C ATOM 977 CG MET A 65 3.481 8.226 2.838 1.00 0.63 C ATOM 978 SD MET A 65 4.148 9.745 3.542 1.00 0.61 S ATOM 979 CE MET A 65 5.267 9.090 4.772 1.00 0.74 C ATOM 0 H MET A 65 0.433 7.514 3.395 1.00 0.48 H new ATOM 0 HA MET A 65 1.568 10.197 2.877 1.00 0.53 H new ATOM 0 HB2 MET A 65 1.982 7.544 1.472 1.00 0.61 H new ATOM 0 HB3 MET A 65 2.723 9.067 1.022 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.126 7.581 3.642 1.00 0.63 H new ATOM 0 HG3 MET A 65 4.276 7.687 2.323 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.676 9.908 5.364 1.00 0.74 H new ATOM 0 HE2 MET A 65 4.728 8.403 5.425 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.080 8.558 4.278 1.00 0.74 H new ATOM 989 N GLU A 66 -0.849 10.368 1.892 1.00 0.83 N ATOM 990 CA GLU A 66 -2.002 10.725 1.071 1.00 1.01 C ATOM 991 C GLU A 66 -1.568 11.513 -0.158 1.00 1.08 C ATOM 992 O GLU A 66 -1.574 11.003 -1.279 1.00 1.86 O ATOM 993 CB GLU A 66 -2.989 11.565 1.884 1.00 1.29 C ATOM 994 CG GLU A 66 -3.339 10.972 3.237 1.00 2.19 C ATOM 995 CD GLU A 66 -4.328 11.827 3.997 1.00 3.03 C ATOM 996 OE1 GLU A 66 -5.547 11.629 3.816 1.00 3.33 O ATOM 997 OE2 GLU A 66 -3.892 12.685 4.788 1.00 3.75 O ATOM 0 H GLU A 66 -0.832 10.828 2.802 1.00 0.83 H new ATOM 0 HA GLU A 66 -2.484 9.802 0.749 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.567 12.559 2.033 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -3.905 11.691 1.306 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -3.756 9.974 3.098 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -2.430 10.858 3.828 1.00 2.19 H new ATOM 1004 N GLY A 67 -1.191 12.760 0.071 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.712 13.608 -0.997 1.00 1.36 C ATOM 1006 C GLY A 67 0.651 14.161 -0.665 1.00 1.24 C ATOM 1007 O GLY A 67 1.038 15.231 -1.139 1.00 1.47 O ATOM 0 H GLY A 67 -1.209 13.204 0.989 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.663 13.040 -1.926 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.413 14.427 -1.161 1.00 1.36 H new ATOM 1011 N LYS A 68 1.365 13.420 0.172 1.00 0.97 N ATOM 1012 CA LYS A 68 2.679 13.816 0.646 1.00 0.87 C ATOM 1013 C LYS A 68 3.647 14.029 -0.502 1.00 0.90 C ATOM 1014 O LYS A 68 3.578 13.357 -1.536 1.00 1.06 O ATOM 1015 CB LYS A 68 3.239 12.750 1.583 1.00 0.73 C ATOM 1016 CG LYS A 68 2.430 12.569 2.851 1.00 1.24 C ATOM 1017 CD LYS A 68 2.601 13.737 3.805 1.00 2.01 C ATOM 1018 CE LYS A 68 1.765 13.547 5.062 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.085 14.556 6.100 1.00 3.36 N ATOM 0 H LYS A 68 1.045 12.524 0.541 1.00 0.97 H new ATOM 0 HA LYS A 68 2.565 14.760 1.179 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.284 11.799 1.052 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.262 13.014 1.850 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.376 12.460 2.596 1.00 1.24 H new ATOM 0 HG3 LYS A 68 2.735 11.648 3.347 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.652 13.838 4.076 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.310 14.662 3.308 1.00 2.01 H new ATOM 0 HE2 LYS A 68 0.707 13.612 4.807 1.00 2.81 H new ATOM 0 HE3 LYS A 68 1.935 12.548 5.463 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 1.493 14.390 6.939 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 3.088 14.478 6.363 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 1.898 15.509 5.727 1.00 3.36 H new ATOM 1033 N GLN A 69 4.549 14.968 -0.305 1.00 0.87 N ATOM 1034 CA GLN A 69 5.569 15.270 -1.292 1.00 0.93 C ATOM 1035 C GLN A 69 6.670 14.216 -1.254 1.00 0.81 C ATOM 1036 O GLN A 69 6.798 13.494 -0.260 1.00 0.74 O ATOM 1037 CB GLN A 69 6.154 16.664 -1.045 1.00 1.07 C ATOM 1038 CG GLN A 69 6.693 16.867 0.363 1.00 1.33 C ATOM 1039 CD GLN A 69 7.122 18.296 0.628 1.00 2.12 C ATOM 1040 OE1 GLN A 69 6.574 19.238 0.055 1.00 2.64 O ATOM 1041 NE2 GLN A 69 8.093 18.473 1.511 1.00 2.89 N ATOM 0 H GLN A 69 4.597 15.541 0.537 1.00 0.87 H new ATOM 0 HA GLN A 69 5.111 15.258 -2.281 1.00 0.93 H new ATOM 0 HB2 GLN A 69 6.957 16.842 -1.760 1.00 1.07 H new ATOM 0 HB3 GLN A 69 5.383 17.410 -1.239 1.00 1.07 H new ATOM 0 HG2 GLN A 69 5.927 16.583 1.085 1.00 1.33 H new ATOM 0 HG3 GLN A 69 7.542 16.202 0.521 1.00 1.33 H new ATOM 0 HE21 GLN A 69 8.523 17.667 1.965 1.00 2.89 H new ATOM 0 HE22 GLN A 69 8.411 19.415 1.737 1.00 2.89 H new ATOM 1050 N HIS A 70 7.461 14.125 -2.315 1.00 0.84 N ATOM 1051 CA HIS A 70 8.532 13.134 -2.380 1.00 0.79 C ATOM 1052 C HIS A 70 9.462 13.274 -1.177 1.00 0.70 C ATOM 1053 O HIS A 70 9.853 12.281 -0.560 1.00 0.65 O ATOM 1054 CB HIS A 70 9.318 13.278 -3.688 1.00 0.88 C ATOM 1055 CG HIS A 70 10.489 12.345 -3.801 1.00 0.90 C ATOM 1056 ND1 HIS A 70 10.359 10.983 -3.979 1.00 1.42 N ATOM 1057 CD2 HIS A 70 11.820 12.587 -3.745 1.00 1.37 C ATOM 1058 CE1 HIS A 70 11.557 10.432 -4.025 1.00 1.31 C ATOM 1059 NE2 HIS A 70 12.460 11.381 -3.886 1.00 1.13 N ATOM 0 H HIS A 70 7.384 14.721 -3.139 1.00 0.84 H new ATOM 0 HA HIS A 70 8.085 12.140 -2.356 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.644 13.102 -4.526 1.00 0.88 H new ATOM 0 HB3 HIS A 70 9.674 14.304 -3.775 1.00 0.88 H new ATOM 0 HD1 HIS A 70 9.475 10.481 -4.062 1.00 1.42 H new ATOM 0 HD2 HIS A 70 12.291 13.550 -3.614 1.00 1.37 H new ATOM 0 HE1 HIS A 70 11.763 9.380 -4.155 1.00 1.31 H new ATOM 1068 N GLY A 71 9.782 14.516 -0.837 1.00 0.72 N ATOM 1069 CA GLY A 71 10.661 14.782 0.281 1.00 0.69 C ATOM 1070 C GLY A 71 10.085 14.318 1.603 1.00 0.62 C ATOM 1071 O GLY A 71 10.819 13.834 2.463 1.00 0.62 O ATOM 0 H GLY A 71 9.445 15.348 -1.321 1.00 0.72 H new ATOM 0 HA2 GLY A 71 11.617 14.286 0.112 1.00 0.69 H new ATOM 0 HA3 GLY A 71 10.862 15.852 0.333 1.00 0.69 H new ATOM 1075 N ASP A 72 8.771 14.445 1.758 1.00 0.61 N ATOM 1076 CA ASP A 72 8.108 14.068 3.006 1.00 0.58 C ATOM 1077 C ASP A 72 8.211 12.563 3.217 1.00 0.49 C ATOM 1078 O ASP A 72 8.583 12.095 4.293 1.00 0.44 O ATOM 1079 CB ASP A 72 6.634 14.480 2.973 1.00 0.68 C ATOM 1080 CG ASP A 72 6.019 14.601 4.356 1.00 1.16 C ATOM 1081 OD1 ASP A 72 6.200 13.689 5.185 1.00 2.03 O ATOM 1082 OD2 ASP A 72 5.336 15.615 4.614 1.00 1.47 O ATOM 0 H ASP A 72 8.144 14.805 1.039 1.00 0.61 H new ATOM 0 HA ASP A 72 8.602 14.584 3.829 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.541 15.435 2.456 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.071 13.748 2.394 1.00 0.68 H new ATOM 1087 N VAL A 73 7.909 11.816 2.161 1.00 0.50 N ATOM 1088 CA VAL A 73 7.950 10.361 2.207 1.00 0.45 C ATOM 1089 C VAL A 73 9.370 9.870 2.490 1.00 0.44 C ATOM 1090 O VAL A 73 9.582 9.004 3.340 1.00 0.43 O ATOM 1091 CB VAL A 73 7.444 9.743 0.884 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.421 8.223 0.966 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.064 10.283 0.526 1.00 0.97 C ATOM 0 H VAL A 73 7.631 12.198 1.257 1.00 0.50 H new ATOM 0 HA VAL A 73 7.291 10.041 3.014 1.00 0.45 H new ATOM 0 HB VAL A 73 8.138 10.029 0.094 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.061 7.813 0.022 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.428 7.854 1.162 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.758 7.912 1.773 1.00 1.08 H new ATOM 0 HG21 VAL A 73 5.729 9.834 -0.409 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.359 10.036 1.320 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.116 11.366 0.410 1.00 0.97 H new ATOM 1103 N VAL A 74 10.343 10.442 1.787 1.00 0.49 N ATOM 1104 CA VAL A 74 11.740 10.061 1.964 1.00 0.53 C ATOM 1105 C VAL A 74 12.218 10.387 3.376 1.00 0.51 C ATOM 1106 O VAL A 74 12.928 9.593 3.999 1.00 0.52 O ATOM 1107 CB VAL A 74 12.656 10.757 0.932 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.120 10.431 1.186 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.265 10.349 -0.480 1.00 0.70 C ATOM 0 H VAL A 74 10.190 11.171 1.090 1.00 0.49 H new ATOM 0 HA VAL A 74 11.800 8.984 1.805 1.00 0.53 H new ATOM 0 HB VAL A 74 12.526 11.834 1.040 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.739 10.935 0.444 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.401 10.770 2.183 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.271 9.354 1.113 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.918 10.847 -1.197 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.365 9.269 -0.587 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.231 10.639 -0.669 1.00 0.70 H new ATOM 1119 N SER A 75 11.804 11.542 3.887 1.00 0.51 N ATOM 1120 CA SER A 75 12.171 11.957 5.232 1.00 0.52 C ATOM 1121 C SER A 75 11.623 10.965 6.252 1.00 0.47 C ATOM 1122 O SER A 75 12.294 10.629 7.226 1.00 0.51 O ATOM 1123 CB SER A 75 11.644 13.367 5.523 1.00 0.58 C ATOM 1124 OG SER A 75 12.118 13.849 6.771 1.00 0.66 O ATOM 0 H SER A 75 11.213 12.207 3.387 1.00 0.51 H new ATOM 0 HA SER A 75 13.258 11.975 5.307 1.00 0.52 H new ATOM 0 HB2 SER A 75 11.955 14.045 4.728 1.00 0.58 H new ATOM 0 HB3 SER A 75 10.554 13.357 5.525 1.00 0.58 H new ATOM 0 HG SER A 75 11.767 14.750 6.928 1.00 0.66 H new ATOM 1130 N ALA A 76 10.406 10.486 6.009 1.00 0.42 N ATOM 1131 CA ALA A 76 9.776 9.515 6.893 1.00 0.39 C ATOM 1132 C ALA A 76 10.549 8.199 6.900 1.00 0.37 C ATOM 1133 O ALA A 76 10.773 7.610 7.956 1.00 0.39 O ATOM 1134 CB ALA A 76 8.330 9.288 6.482 1.00 0.39 C ATOM 0 H ALA A 76 9.838 10.756 5.206 1.00 0.42 H new ATOM 0 HA ALA A 76 9.790 9.916 7.907 1.00 0.39 H new ATOM 0 HB1 ALA A 76 7.872 8.560 7.151 1.00 0.39 H new ATOM 0 HB2 ALA A 76 7.783 10.229 6.540 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.297 8.912 5.459 1.00 0.39 H new ATOM 1140 N ILE A 77 10.968 7.748 5.718 1.00 0.37 N ATOM 1141 CA ILE A 77 11.760 6.528 5.600 1.00 0.39 C ATOM 1142 C ILE A 77 13.078 6.666 6.361 1.00 0.41 C ATOM 1143 O ILE A 77 13.473 5.775 7.115 1.00 0.44 O ATOM 1144 CB ILE A 77 12.058 6.200 4.122 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.750 6.064 3.337 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.879 4.922 4.011 1.00 0.50 C ATOM 1147 CD1 ILE A 77 10.950 5.996 1.840 1.00 0.69 C ATOM 0 H ILE A 77 10.771 8.210 4.830 1.00 0.37 H new ATOM 0 HA ILE A 77 11.176 5.715 6.032 1.00 0.39 H new ATOM 0 HB ILE A 77 12.639 7.018 3.696 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.229 5.165 3.667 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.105 6.911 3.571 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.079 4.708 2.961 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.823 5.049 4.541 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.324 4.094 4.451 1.00 0.50 H new ATOM 0 HD11 ILE A 77 9.982 5.900 1.348 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.443 6.906 1.497 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.569 5.133 1.594 1.00 0.69 H new ATOM 1159 N ARG A 78 13.741 7.802 6.180 1.00 0.43 N ATOM 1160 CA ARG A 78 15.010 8.067 6.848 1.00 0.50 C ATOM 1161 C ARG A 78 14.815 8.253 8.352 1.00 0.50 C ATOM 1162 O ARG A 78 15.736 8.033 9.138 1.00 0.56 O ATOM 1163 CB ARG A 78 15.690 9.296 6.241 1.00 0.58 C ATOM 1164 CG ARG A 78 16.201 9.066 4.825 1.00 0.66 C ATOM 1165 CD ARG A 78 16.909 10.293 4.272 1.00 0.89 C ATOM 1166 NE ARG A 78 18.006 10.727 5.137 1.00 1.59 N ATOM 1167 CZ ARG A 78 19.245 10.969 4.713 1.00 2.11 C ATOM 1168 NH1 ARG A 78 19.565 10.788 3.437 1.00 2.12 N ATOM 1169 NH2 ARG A 78 20.165 11.375 5.577 1.00 3.09 N ATOM 0 H ARG A 78 13.420 8.557 5.574 1.00 0.43 H new ATOM 0 HA ARG A 78 15.655 7.201 6.697 1.00 0.50 H new ATOM 0 HB2 ARG A 78 14.984 10.127 6.234 1.00 0.58 H new ATOM 0 HB3 ARG A 78 16.524 9.592 6.877 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.886 8.218 4.819 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.366 8.805 4.175 1.00 0.66 H new ATOM 0 HD2 ARG A 78 17.297 10.071 3.278 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.192 11.106 4.160 1.00 0.89 H new ATOM 0 HE ARG A 78 17.809 10.852 6.130 1.00 1.59 H new ATOM 0 HH11 ARG A 78 18.860 10.462 2.776 1.00 2.12 H new ATOM 0 HH12 ARG A 78 20.516 10.975 3.118 1.00 2.12 H new ATOM 0 HH21 ARG A 78 19.922 11.500 6.560 1.00 3.09 H new ATOM 0 HH22 ARG A 78 21.116 11.562 5.259 1.00 3.09 H new ATOM 1183 N ALA A 79 13.613 8.658 8.744 1.00 0.47 N ATOM 1184 CA ALA A 79 13.286 8.858 10.151 1.00 0.51 C ATOM 1185 C ALA A 79 13.054 7.526 10.855 1.00 0.43 C ATOM 1186 O ALA A 79 12.945 7.471 12.081 1.00 0.46 O ATOM 1187 CB ALA A 79 12.056 9.739 10.289 1.00 0.65 C ATOM 0 H ALA A 79 12.844 8.855 8.103 1.00 0.47 H new ATOM 0 HA ALA A 79 14.134 9.353 10.625 1.00 0.51 H new ATOM 0 HB1 ALA A 79 11.825 9.879 11.345 1.00 0.65 H new ATOM 0 HB2 ALA A 79 12.249 10.708 9.829 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.210 9.263 9.793 1.00 0.65 H new ATOM 1193 N GLY A 80 12.963 6.457 10.075 1.00 0.41 N ATOM 1194 CA GLY A 80 12.785 5.138 10.646 1.00 0.42 C ATOM 1195 C GLY A 80 14.027 4.664 11.371 1.00 0.46 C ATOM 1196 O GLY A 80 13.942 3.968 12.384 1.00 0.60 O ATOM 0 H GLY A 80 13.009 6.481 9.056 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.944 5.153 11.339 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.534 4.431 9.855 1.00 0.42 H new ATOM 1200 N GLY A 81 15.184 5.066 10.862 1.00 0.49 N ATOM 1201 CA GLY A 81 16.441 4.666 11.459 1.00 0.63 C ATOM 1202 C GLY A 81 17.137 3.588 10.657 1.00 0.64 C ATOM 1203 O GLY A 81 17.625 3.845 9.555 1.00 1.10 O ATOM 0 H GLY A 81 15.273 5.665 10.042 1.00 0.49 H new ATOM 0 HA2 GLY A 81 17.095 5.534 11.542 1.00 0.63 H new ATOM 0 HA3 GLY A 81 16.262 4.305 12.472 1.00 0.63 H new ATOM 1207 N ASP A 82 17.172 2.379 11.198 1.00 0.43 N ATOM 1208 CA ASP A 82 17.819 1.259 10.530 1.00 0.44 C ATOM 1209 C ASP A 82 16.768 0.371 9.891 1.00 0.39 C ATOM 1210 O ASP A 82 17.041 -0.351 8.945 1.00 0.55 O ATOM 1211 CB ASP A 82 18.655 0.451 11.527 1.00 0.55 C ATOM 1212 CG ASP A 82 19.647 -0.482 10.867 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.771 -0.028 10.542 1.00 1.97 O ATOM 1214 OD2 ASP A 82 19.336 -1.678 10.715 1.00 2.12 O ATOM 0 H ASP A 82 16.758 2.148 12.101 1.00 0.43 H new ATOM 0 HA ASP A 82 18.483 1.645 9.757 1.00 0.44 H new ATOM 0 HB2 ASP A 82 19.194 1.139 12.179 1.00 0.55 H new ATOM 0 HB3 ASP A 82 17.987 -0.132 12.161 1.00 0.55 H new ATOM 1219 N GLU A 83 15.559 0.429 10.414 1.00 0.38 N ATOM 1220 CA GLU A 83 14.464 -0.324 9.837 1.00 0.39 C ATOM 1221 C GLU A 83 13.283 0.590 9.551 1.00 0.38 C ATOM 1222 O GLU A 83 13.161 1.671 10.131 1.00 0.53 O ATOM 1223 CB GLU A 83 14.067 -1.495 10.746 1.00 0.47 C ATOM 1224 CG GLU A 83 13.617 -1.101 12.144 1.00 0.86 C ATOM 1225 CD GLU A 83 12.118 -0.874 12.247 1.00 1.62 C ATOM 1226 OE1 GLU A 83 11.344 -1.809 11.947 1.00 2.11 O ATOM 1227 OE2 GLU A 83 11.709 0.230 12.655 1.00 2.00 O ATOM 0 H GLU A 83 15.311 0.986 11.232 1.00 0.38 H new ATOM 0 HA GLU A 83 14.795 -0.747 8.888 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.262 -2.052 10.265 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.916 -2.173 10.832 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.909 -1.882 12.847 1.00 0.86 H new ATOM 0 HG3 GLU A 83 14.137 -0.191 12.444 1.00 0.86 H new ATOM 1234 N THR A 84 12.436 0.167 8.637 1.00 0.27 N ATOM 1235 CA THR A 84 11.287 0.951 8.243 1.00 0.26 C ATOM 1236 C THR A 84 10.132 0.029 7.880 1.00 0.22 C ATOM 1237 O THR A 84 10.344 -1.106 7.435 1.00 0.21 O ATOM 1238 CB THR A 84 11.624 1.887 7.057 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.540 2.791 6.808 1.00 0.32 O ATOM 1240 CG2 THR A 84 11.924 1.094 5.792 1.00 0.30 C ATOM 0 H THR A 84 12.524 -0.724 8.149 1.00 0.27 H new ATOM 0 HA THR A 84 10.995 1.577 9.086 1.00 0.26 H new ATOM 0 HB THR A 84 12.514 2.454 7.330 1.00 0.30 H new ATOM 0 HG1 THR A 84 9.993 2.876 7.617 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.157 1.781 4.978 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.776 0.438 5.968 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.054 0.495 5.523 1.00 0.30 H new ATOM 1248 N LYS A 85 8.919 0.496 8.107 1.00 0.24 N ATOM 1249 CA LYS A 85 7.740 -0.291 7.811 1.00 0.23 C ATOM 1250 C LYS A 85 6.946 0.367 6.698 1.00 0.23 C ATOM 1251 O LYS A 85 6.440 1.478 6.851 1.00 0.26 O ATOM 1252 CB LYS A 85 6.883 -0.443 9.067 1.00 0.28 C ATOM 1253 CG LYS A 85 7.623 -1.119 10.207 1.00 0.37 C ATOM 1254 CD LYS A 85 6.816 -1.114 11.490 1.00 0.50 C ATOM 1255 CE LYS A 85 7.575 -1.778 12.627 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.874 -1.106 12.913 1.00 1.63 N ATOM 0 H LYS A 85 8.725 1.419 8.496 1.00 0.24 H new ATOM 0 HA LYS A 85 8.045 -1.284 7.480 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.546 0.541 9.392 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.992 -1.022 8.825 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.856 -2.147 9.929 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.573 -0.611 10.374 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.573 -0.088 11.764 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.871 -1.634 11.329 1.00 0.50 H new ATOM 0 HE2 LYS A 85 6.959 -1.768 13.526 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.757 -2.823 12.377 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 9.123 -1.243 13.913 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 9.617 -1.517 12.312 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 8.790 -0.089 12.713 1.00 1.63 H new ATOM 1270 N LEU A 86 6.832 -0.329 5.585 1.00 0.22 N ATOM 1271 CA LEU A 86 6.180 0.214 4.410 1.00 0.22 C ATOM 1272 C LEU A 86 4.852 -0.479 4.169 1.00 0.22 C ATOM 1273 O LEU A 86 4.742 -1.700 4.281 1.00 0.27 O ATOM 1274 CB LEU A 86 7.078 0.063 3.178 1.00 0.24 C ATOM 1275 CG LEU A 86 8.426 0.789 3.252 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.227 0.549 1.982 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.219 2.279 3.481 1.00 0.28 C ATOM 0 H LEU A 86 7.185 -1.279 5.469 1.00 0.22 H new ATOM 0 HA LEU A 86 5.997 1.274 4.584 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.265 -0.998 3.014 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.535 0.429 2.307 1.00 0.24 H new ATOM 0 HG LEU A 86 8.988 0.389 4.096 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.182 1.071 2.050 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.405 -0.519 1.861 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.669 0.923 1.124 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.187 2.777 3.531 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.638 2.696 2.659 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.684 2.432 4.418 1.00 0.28 H new ATOM 1289 N LEU A 87 3.846 0.307 3.853 1.00 0.20 N ATOM 1290 CA LEU A 87 2.550 -0.228 3.497 1.00 0.21 C ATOM 1291 C LEU A 87 2.360 -0.116 2.000 1.00 0.21 C ATOM 1292 O LEU A 87 2.490 0.969 1.439 1.00 0.26 O ATOM 1293 CB LEU A 87 1.434 0.522 4.218 1.00 0.27 C ATOM 1294 CG LEU A 87 0.025 0.074 3.845 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.169 -1.384 4.198 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.010 0.936 4.537 1.00 0.45 C ATOM 0 H LEU A 87 3.902 1.325 3.835 1.00 0.20 H new ATOM 0 HA LEU A 87 2.507 -1.274 3.800 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.567 0.400 5.293 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.532 1.586 4.003 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.104 0.190 2.769 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.179 -1.693 3.927 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.554 -1.990 3.652 1.00 0.51 H new ATOM 0 HD13 LEU A 87 -0.023 -1.522 5.269 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.009 0.600 4.258 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.888 0.854 5.617 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.879 1.975 4.235 1.00 0.45 H new ATOM 1308 N VAL A 88 2.064 -1.228 1.355 1.00 0.20 N ATOM 1309 CA VAL A 88 1.931 -1.240 -0.090 1.00 0.23 C ATOM 1310 C VAL A 88 0.702 -2.023 -0.523 1.00 0.24 C ATOM 1311 O VAL A 88 0.234 -2.921 0.184 1.00 0.27 O ATOM 1312 CB VAL A 88 3.187 -1.811 -0.786 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.343 -0.826 -0.699 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.589 -3.146 -0.180 1.00 0.33 C ATOM 0 H VAL A 88 1.912 -2.131 1.805 1.00 0.20 H new ATOM 0 HA VAL A 88 1.817 -0.201 -0.399 1.00 0.23 H new ATOM 0 HB VAL A 88 2.942 -1.972 -1.836 1.00 0.28 H new ATOM 0 HG11 VAL A 88 5.218 -1.247 -1.195 1.00 0.31 H new ATOM 0 HG12 VAL A 88 4.063 0.107 -1.187 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.578 -0.632 0.348 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.475 -3.524 -0.689 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.808 -3.013 0.880 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.772 -3.859 -0.296 1.00 0.33 H new ATOM 1324 N VAL A 89 0.165 -1.645 -1.672 1.00 0.24 N ATOM 1325 CA VAL A 89 -0.994 -2.304 -2.243 1.00 0.27 C ATOM 1326 C VAL A 89 -0.736 -2.646 -3.703 1.00 0.34 C ATOM 1327 O VAL A 89 0.039 -1.967 -4.379 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.258 -1.420 -2.141 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.714 -1.293 -0.696 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.006 -0.042 -2.735 1.00 0.30 C ATOM 0 H VAL A 89 0.522 -0.872 -2.234 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.166 -3.217 -1.673 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.050 -1.903 -2.713 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.605 -0.667 -0.649 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -2.944 -2.282 -0.299 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -1.920 -0.840 -0.102 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.910 0.561 -2.651 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.194 0.444 -2.194 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.733 -0.143 -3.785 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.374 -3.707 -4.173 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.254 -4.132 -5.562 1.00 0.51 C ATOM 1342 C ASP A 90 -2.328 -3.453 -6.393 1.00 0.48 C ATOM 1343 O ASP A 90 -3.180 -2.763 -5.843 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.407 -5.647 -5.678 1.00 0.68 C ATOM 1345 CG ASP A 90 -2.801 -6.098 -5.304 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -3.112 -6.114 -4.096 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -3.590 -6.413 -6.216 1.00 1.86 O ATOM 0 H ASP A 90 -1.986 -4.295 -3.608 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.266 -3.851 -5.928 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.185 -5.958 -6.699 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -0.680 -6.137 -5.030 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.305 -3.676 -7.701 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.214 -2.997 -8.624 1.00 0.61 C ATOM 1354 C ARG A 91 -4.679 -3.154 -8.213 1.00 0.55 C ATOM 1355 O ARG A 91 -5.405 -2.166 -8.120 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.021 -3.538 -10.042 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.972 -2.932 -11.061 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.813 -3.583 -12.421 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.779 -3.075 -13.393 1.00 2.25 N ATOM 1360 CZ ARG A 91 -5.529 -3.857 -14.171 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -5.459 -5.179 -14.061 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -6.358 -3.322 -15.057 1.00 4.16 N ATOM 0 H ARG A 91 -1.662 -4.327 -8.152 1.00 0.57 H new ATOM 0 HA ARG A 91 -2.972 -1.935 -8.593 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.995 -3.348 -10.357 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.156 -4.620 -10.030 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -5.000 -3.050 -10.717 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.785 -1.861 -11.144 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -2.802 -3.407 -12.790 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.933 -4.662 -12.322 1.00 1.44 H new ATOM 0 HE ARG A 91 -4.886 -2.064 -13.482 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -4.829 -5.601 -13.379 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -6.035 -5.772 -14.659 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -6.424 -2.308 -15.146 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -6.929 -3.924 -15.650 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.099 -4.382 -7.925 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.503 -4.654 -7.616 1.00 0.61 C ATOM 1378 C GLU A 92 -6.931 -3.946 -6.338 1.00 0.51 C ATOM 1379 O GLU A 92 -8.003 -3.343 -6.277 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.742 -6.161 -7.481 1.00 0.74 C ATOM 1381 CG GLU A 92 -7.104 -6.851 -8.789 1.00 1.44 C ATOM 1382 CD GLU A 92 -6.130 -6.557 -9.913 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -4.973 -7.029 -9.849 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -6.521 -5.868 -10.876 1.00 2.68 O ATOM 0 H GLU A 92 -4.493 -5.202 -7.899 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.104 -4.271 -8.441 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -5.844 -6.626 -7.074 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -7.543 -6.328 -6.760 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -7.144 -7.928 -8.625 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.103 -6.538 -9.092 1.00 1.44 H new ATOM 1391 N THR A 93 -6.074 -3.999 -5.333 1.00 0.44 N ATOM 1392 CA THR A 93 -6.347 -3.354 -4.060 1.00 0.38 C ATOM 1393 C THR A 93 -6.259 -1.832 -4.194 1.00 0.33 C ATOM 1394 O THR A 93 -7.089 -1.092 -3.660 1.00 0.37 O ATOM 1395 CB THR A 93 -5.346 -3.841 -3.002 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.347 -5.275 -2.962 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.694 -3.298 -1.628 1.00 0.36 C ATOM 0 H THR A 93 -5.178 -4.485 -5.375 1.00 0.44 H new ATOM 0 HA THR A 93 -7.358 -3.617 -3.750 1.00 0.38 H new ATOM 0 HB THR A 93 -4.356 -3.476 -3.276 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.634 -5.619 -3.540 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.968 -3.659 -0.899 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.673 -2.208 -1.651 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.691 -3.636 -1.345 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.261 -1.381 -4.941 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.002 0.042 -5.135 1.00 0.39 C ATOM 1407 C ASP A 94 -6.149 0.711 -5.889 1.00 0.43 C ATOM 1408 O ASP A 94 -6.539 1.833 -5.575 1.00 0.50 O ATOM 1409 CB ASP A 94 -3.676 0.225 -5.884 1.00 0.48 C ATOM 1410 CG ASP A 94 -3.305 1.676 -6.109 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -3.460 2.483 -5.168 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -2.838 2.014 -7.213 1.00 1.18 O ATOM 0 H ASP A 94 -4.606 -1.991 -5.431 1.00 0.33 H new ATOM 0 HA ASP A 94 -4.928 0.522 -4.159 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -2.880 -0.262 -5.321 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -3.740 -0.279 -6.848 1.00 0.48 H new ATOM 1417 N GLU A 95 -6.698 0.018 -6.881 1.00 0.43 N ATOM 1418 CA GLU A 95 -7.842 0.535 -7.629 1.00 0.49 C ATOM 1419 C GLU A 95 -9.105 0.488 -6.772 1.00 0.45 C ATOM 1420 O GLU A 95 -9.952 1.380 -6.845 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.056 -0.271 -8.915 1.00 0.60 C ATOM 1422 CG GLU A 95 -6.887 -0.211 -9.890 1.00 0.72 C ATOM 1423 CD GLU A 95 -6.724 1.141 -10.552 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -6.400 2.117 -9.845 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -6.941 1.249 -11.776 1.00 1.23 O ATOM 0 H GLU A 95 -6.372 -0.899 -7.186 1.00 0.43 H new ATOM 0 HA GLU A 95 -7.633 1.571 -7.895 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.242 -1.312 -8.651 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -8.952 0.096 -9.416 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -5.968 -0.461 -9.360 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.027 -0.970 -10.660 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.211 -0.552 -5.947 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.370 -0.735 -5.075 1.00 0.41 C ATOM 1434 C PHE A 96 -10.479 0.402 -4.065 1.00 0.36 C ATOM 1435 O PHE A 96 -11.548 0.987 -3.886 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.268 -2.082 -4.347 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.383 -2.341 -3.372 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.649 -2.677 -3.820 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.160 -2.255 -2.006 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.672 -2.923 -2.926 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.180 -2.498 -1.107 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.438 -2.832 -1.567 1.00 0.72 C ATOM 0 H PHE A 96 -8.505 -1.284 -5.864 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.269 -0.727 -5.692 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.254 -2.882 -5.087 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.318 -2.124 -3.815 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.839 -2.748 -4.881 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.177 -1.995 -1.641 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.655 -3.186 -3.289 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -11.994 -2.427 -0.046 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.238 -3.022 -0.866 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.369 0.717 -3.414 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.337 1.801 -2.438 1.00 0.32 C ATOM 1454 C PHE A 97 -9.609 3.159 -3.091 1.00 0.39 C ATOM 1455 O PHE A 97 -10.257 4.012 -2.483 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.000 1.806 -1.688 1.00 0.30 C ATOM 1457 CG PHE A 97 -7.982 0.892 -0.487 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.400 1.354 0.751 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.552 -0.421 -0.594 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.389 0.527 1.859 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.537 -1.255 0.514 1.00 0.40 C ATOM 1462 CZ PHE A 97 -7.958 -0.779 1.742 1.00 0.35 C ATOM 0 H PHE A 97 -8.477 0.238 -3.543 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.136 1.626 -1.718 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.206 1.508 -2.373 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -7.777 2.823 -1.365 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -8.739 2.374 0.852 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -7.225 -0.799 -1.551 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -8.718 0.903 2.817 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -7.197 -2.275 0.418 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.950 -1.427 2.606 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.125 3.359 -4.321 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.335 4.630 -5.023 1.00 0.53 C ATOM 1474 C LYS A 98 -10.817 4.946 -5.190 1.00 0.56 C ATOM 1475 O LYS A 98 -11.266 6.043 -4.855 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.686 4.620 -6.406 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.173 4.694 -6.395 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.643 5.094 -7.762 1.00 1.13 C ATOM 1479 CE LYS A 98 -5.196 4.691 -7.933 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.049 3.219 -7.897 1.00 1.92 N ATOM 0 H LYS A 98 -8.591 2.666 -4.846 1.00 0.43 H new ATOM 0 HA LYS A 98 -8.869 5.397 -4.405 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -8.988 3.712 -6.928 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.073 5.462 -6.980 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -6.845 5.416 -5.647 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -6.759 3.727 -6.108 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.247 4.626 -8.539 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -6.739 6.172 -7.890 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -4.817 5.075 -8.880 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -4.594 5.140 -7.143 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -4.045 2.968 -7.999 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.406 2.857 -6.990 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -5.593 2.797 -8.676 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.582 3.980 -5.688 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.006 4.195 -5.922 1.00 0.63 C ATOM 1496 C LYS A 99 -13.757 4.282 -4.602 1.00 0.63 C ATOM 1497 O LYS A 99 -14.839 4.862 -4.524 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.606 3.089 -6.794 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.535 1.701 -6.177 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.682 0.824 -6.655 1.00 0.76 C ATOM 1501 CE LYS A 99 -16.026 1.407 -6.236 1.00 1.62 C ATOM 1502 NZ LYS A 99 -17.173 0.569 -6.675 1.00 2.04 N ATOM 0 H LYS A 99 -11.245 3.050 -5.935 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.111 5.140 -6.455 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.649 3.330 -7.000 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.087 3.075 -7.752 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.585 1.234 -6.436 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -13.565 1.782 -5.090 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -14.645 0.730 -7.740 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -14.573 -0.180 -6.244 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -16.051 1.511 -5.151 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -16.130 2.408 -6.655 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -18.063 1.009 -6.365 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -17.168 0.490 -7.712 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -17.091 -0.379 -6.255 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.171 3.704 -3.565 1.00 0.55 N ATOM 1517 CA CYS A 100 -13.753 3.752 -2.235 1.00 0.60 C ATOM 1518 C CYS A 100 -13.438 5.081 -1.557 1.00 0.61 C ATOM 1519 O CYS A 100 -13.947 5.374 -0.474 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.234 2.585 -1.395 1.00 0.60 C ATOM 1521 SG CYS A 100 -13.762 0.963 -1.993 1.00 1.39 S ATOM 0 H CYS A 100 -12.289 3.194 -3.621 1.00 0.55 H new ATOM 0 HA CYS A 100 -14.836 3.666 -2.325 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -12.145 2.618 -1.378 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.573 2.711 -0.367 1.00 0.60 H new ATOM 0 HG CYS A 100 -12.964 0.569 -2.940 1.00 1.39 H new ATOM 1527 N ARG A 101 -12.587 5.874 -2.216 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.199 7.200 -1.741 1.00 0.65 C ATOM 1529 C ARG A 101 -11.576 7.130 -0.354 1.00 0.64 C ATOM 1530 O ARG A 101 -11.648 8.085 0.420 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.397 8.155 -1.734 1.00 0.77 C ATOM 1532 CG ARG A 101 -13.973 8.429 -3.115 1.00 0.79 C ATOM 1533 CD ARG A 101 -12.922 8.991 -4.060 1.00 1.19 C ATOM 1534 NE ARG A 101 -12.302 10.205 -3.533 1.00 2.14 N ATOM 1535 CZ ARG A 101 -11.295 10.843 -4.128 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -10.827 10.403 -5.291 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -10.767 11.925 -3.566 1.00 4.09 N ATOM 0 H ARG A 101 -12.148 5.610 -3.098 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.451 7.587 -2.433 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.179 7.737 -1.101 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.094 9.100 -1.283 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.380 7.507 -3.530 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -14.801 9.133 -3.031 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -12.153 8.238 -4.235 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -13.381 9.208 -5.024 1.00 1.19 H new ATOM 0 HE ARG A 101 -12.661 10.586 -2.658 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -11.239 9.578 -5.727 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -10.056 10.890 -5.748 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -11.133 12.268 -2.678 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -9.996 12.412 -4.023 1.00 4.09 H new ATOM 1551 N VAL A 102 -10.949 6.004 -0.055 1.00 0.55 N ATOM 1552 CA VAL A 102 -10.375 5.782 1.258 1.00 0.57 C ATOM 1553 C VAL A 102 -8.952 5.253 1.121 1.00 0.49 C ATOM 1554 O VAL A 102 -8.628 4.555 0.158 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.246 4.803 2.084 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.223 3.407 1.493 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -10.815 4.779 3.542 1.00 1.42 C ATOM 0 H VAL A 102 -10.825 5.229 -0.707 1.00 0.55 H new ATOM 0 HA VAL A 102 -10.347 6.733 1.790 1.00 0.57 H new ATOM 0 HB VAL A 102 -12.273 5.166 2.041 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -11.844 2.746 2.097 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -11.609 3.437 0.474 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.199 3.033 1.482 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -11.445 4.083 4.096 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -9.775 4.460 3.609 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -10.916 5.777 3.968 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.104 5.614 2.062 1.00 0.54 N ATOM 1568 CA ILE A 103 -6.707 5.233 2.016 1.00 0.50 C ATOM 1569 C ILE A 103 -6.430 4.072 2.967 1.00 0.43 C ATOM 1570 O ILE A 103 -6.826 4.096 4.132 1.00 0.46 O ATOM 1571 CB ILE A 103 -5.819 6.450 2.350 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -6.007 7.518 1.269 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -4.355 6.053 2.478 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -5.209 8.777 1.502 1.00 1.33 C ATOM 0 H ILE A 103 -8.361 6.175 2.874 1.00 0.54 H new ATOM 0 HA ILE A 103 -6.467 4.896 1.007 1.00 0.50 H new ATOM 0 HB ILE A 103 -6.122 6.855 3.315 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -5.726 7.096 0.304 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -7.064 7.777 1.209 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -3.758 6.934 2.714 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -4.246 5.317 3.275 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.011 5.623 1.537 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -5.398 9.482 0.693 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -5.505 9.225 2.450 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -4.147 8.534 1.531 1.00 1.33 H new ATOM 1586 N PRO A 104 -5.789 3.009 2.450 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.472 1.819 3.238 1.00 0.37 C ATOM 1588 C PRO A 104 -4.504 2.106 4.380 1.00 0.37 C ATOM 1589 O PRO A 104 -3.737 3.064 4.337 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.839 0.858 2.227 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.430 1.696 1.067 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.343 2.890 1.051 1.00 0.44 C ATOM 0 HA PRO A 104 -6.363 1.417 3.720 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.980 0.345 2.660 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.549 0.089 1.922 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -3.389 2.006 1.162 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -4.512 1.134 0.136 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.822 3.788 0.719 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.184 2.741 0.374 1.00 0.44 H new ATOM 1600 N SER A 105 -4.552 1.257 5.397 1.00 0.32 N ATOM 1601 CA SER A 105 -3.711 1.391 6.574 1.00 0.34 C ATOM 1602 C SER A 105 -3.450 0.000 7.137 1.00 0.34 C ATOM 1603 O SER A 105 -4.017 -0.972 6.623 1.00 0.33 O ATOM 1604 CB SER A 105 -4.407 2.265 7.623 1.00 0.43 C ATOM 1605 OG SER A 105 -5.064 3.366 7.020 1.00 1.42 O ATOM 0 H SER A 105 -5.179 0.453 5.427 1.00 0.32 H new ATOM 0 HA SER A 105 -2.768 1.867 6.307 1.00 0.34 H new ATOM 0 HB2 SER A 105 -5.130 1.666 8.177 1.00 0.43 H new ATOM 0 HB3 SER A 105 -3.673 2.626 8.344 1.00 0.43 H new ATOM 0 HG SER A 105 -5.889 3.059 6.589 1.00 1.42 H new ATOM 1611 N GLN A 106 -2.626 -0.116 8.171 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.376 -1.423 8.783 1.00 0.43 C ATOM 1613 C GLN A 106 -3.686 -2.023 9.296 1.00 0.45 C ATOM 1614 O GLN A 106 -3.905 -3.231 9.230 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.355 -1.340 9.928 1.00 0.52 C ATOM 1616 CG GLN A 106 0.001 -0.774 9.529 1.00 0.68 C ATOM 1617 CD GLN A 106 -0.028 0.728 9.323 1.00 0.96 C ATOM 1618 OE1 GLN A 106 -0.791 1.440 9.978 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.786 1.218 8.405 1.00 1.42 N ATOM 0 H GLN A 106 -2.125 0.662 8.600 1.00 0.39 H new ATOM 0 HA GLN A 106 -1.954 -2.068 8.012 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -1.771 -0.723 10.724 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.210 -2.338 10.341 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.732 -1.017 10.300 1.00 0.68 H new ATOM 0 HG3 GLN A 106 0.335 -1.256 8.610 1.00 0.68 H new ATOM 0 HE21 GLN A 106 1.402 0.594 7.884 1.00 1.42 H new ATOM 0 HE22 GLN A 106 0.798 2.220 8.217 1.00 1.42 H new ATOM 1628 N GLU A 107 -4.566 -1.157 9.779 1.00 0.46 N ATOM 1629 CA GLU A 107 -5.885 -1.574 10.245 1.00 0.51 C ATOM 1630 C GLU A 107 -6.717 -2.184 9.115 1.00 0.42 C ATOM 1631 O GLU A 107 -7.544 -3.054 9.353 1.00 0.49 O ATOM 1632 CB GLU A 107 -6.624 -0.385 10.855 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.688 0.829 9.944 1.00 1.41 C ATOM 1634 CD GLU A 107 -7.424 1.989 10.577 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -6.806 2.728 11.372 1.00 2.82 O ATOM 1636 OE2 GLU A 107 -8.622 2.166 10.277 1.00 2.63 O ATOM 0 H GLU A 107 -4.391 -0.155 9.859 1.00 0.46 H new ATOM 0 HA GLU A 107 -5.742 -2.342 11.005 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.639 -0.691 11.109 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -6.133 -0.103 11.787 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -5.675 1.141 9.688 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -7.182 0.554 9.012 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.488 -1.733 7.887 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.251 -2.214 6.737 1.00 0.37 C ATOM 1645 C HIS A 108 -6.743 -3.566 6.263 1.00 0.46 C ATOM 1646 O HIS A 108 -7.473 -4.329 5.638 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.174 -1.211 5.585 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.027 0.007 5.785 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.516 1.267 6.042 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.374 0.156 5.753 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -8.509 2.127 6.157 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -9.646 1.480 5.986 1.00 0.52 N ATOM 0 H HIS A 108 -5.780 -1.035 7.660 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.288 -2.323 7.055 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.137 -0.900 5.455 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.476 -1.707 4.663 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.100 -0.624 5.577 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -8.408 3.183 6.357 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -10.576 1.897 6.021 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.488 -3.854 6.558 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.877 -5.101 6.130 1.00 0.70 C ATOM 1663 C LEU A 109 -5.039 -6.173 7.207 1.00 0.79 C ATOM 1664 O LEU A 109 -4.857 -7.364 6.948 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.420 -4.845 5.745 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.534 -4.336 6.856 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -2.056 -5.512 7.651 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.365 -3.549 6.309 1.00 0.67 C ATOM 0 H LEU A 109 -4.871 -3.242 7.092 1.00 0.52 H new ATOM 0 HA LEU A 109 -5.383 -5.485 5.244 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -2.995 -5.773 5.361 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -3.400 -4.124 4.928 1.00 0.96 H new ATOM 0 HG LEU A 109 -3.103 -3.659 7.494 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -1.413 -5.167 8.461 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -2.913 -6.041 8.068 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -1.494 -6.185 7.003 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -0.746 -3.196 7.134 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -0.770 -4.188 5.656 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -1.735 -2.695 5.742 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.414 -5.740 8.405 1.00 1.37 N ATOM 1681 CA ASN A 110 -5.675 -6.654 9.513 1.00 1.67 C ATOM 1682 C ASN A 110 -7.175 -6.814 9.741 1.00 1.44 C ATOM 1683 O ASN A 110 -7.689 -7.931 9.802 1.00 1.77 O ATOM 1684 CB ASN A 110 -4.994 -6.149 10.793 1.00 2.17 C ATOM 1685 CG ASN A 110 -5.380 -6.952 12.025 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -6.318 -6.602 12.741 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -4.657 -8.029 12.290 1.00 3.35 N ATOM 0 H ASN A 110 -5.545 -4.755 8.636 1.00 1.37 H new ATOM 0 HA ASN A 110 -5.261 -7.629 9.256 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -3.913 -6.190 10.663 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -5.257 -5.103 10.950 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -4.871 -8.598 13.109 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -3.886 -8.290 11.675 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.876 -5.692 9.852 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.304 -5.728 10.097 1.00 1.12 C ATOM 1696 C GLY A 111 -10.110 -5.785 8.813 1.00 0.87 C ATOM 1697 O GLY A 111 -9.706 -6.440 7.858 1.00 0.93 O ATOM 0 H GLY A 111 -7.479 -4.756 9.776 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.543 -6.596 10.711 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.595 -4.845 10.666 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.257 -5.106 8.757 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.130 -5.126 7.586 1.00 0.93 C ATOM 1703 C PRO A 112 -11.725 -4.111 6.513 1.00 0.89 C ATOM 1704 O PRO A 112 -10.959 -3.175 6.768 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.485 -4.760 8.183 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.168 -3.867 9.333 1.00 1.30 C ATOM 1707 CD PRO A 112 -11.804 -4.268 9.836 1.00 1.10 C ATOM 0 HA PRO A 112 -12.102 -6.086 7.070 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.115 -4.254 7.452 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -14.026 -5.648 8.510 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -13.173 -2.822 9.023 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.915 -3.970 10.120 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.176 -3.397 10.022 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.871 -4.819 10.774 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.246 -4.313 5.310 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.035 -3.392 4.206 1.00 0.58 C ATOM 1717 C LEU A 113 -13.164 -2.368 4.183 1.00 0.69 C ATOM 1718 O LEU A 113 -14.180 -2.553 4.856 1.00 0.90 O ATOM 1719 CB LEU A 113 -11.997 -4.145 2.869 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.785 -5.051 2.641 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.810 -5.604 1.227 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.486 -4.302 2.899 1.00 1.05 C ATOM 0 H LEU A 113 -12.825 -5.119 5.074 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.078 -2.889 4.346 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -12.899 -4.752 2.792 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.035 -3.413 2.062 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.837 -5.880 3.346 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.944 -6.248 1.073 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.723 -6.181 1.078 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -10.781 -4.780 0.514 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.641 -4.970 2.730 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -9.417 -3.450 2.223 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.468 -3.949 3.930 1.00 1.05 H new