USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 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 -35:sc= 0.106 USER MOD Set 1.2: A 108 HIS : no HD1:sc= 0.686 K(o=0.79,f=-3.9!) USER MOD Set 2.1: A 61 ASN : amide:sc= 0.616 K(o=0.91,f=-2.7!) USER MOD Set 2.2: A 84 THR OG1 : rot 32:sc= 0.294 USER MOD Set 3.1: A 15 MET CE :methyl -127:sc= -3.62! (180deg=-1.61) USER MOD Set 3.2: A 49 SER OG : rot -30:sc= 0.42 USER MOD Set 4.1: A 28 SER OG : rot 139:sc= 0.0727 USER MOD Set 4.2: A 35 GLN : amide:sc= -1.06 K(o=-0.99,f=-2.7!) USER MOD Set 4.3: A 70 HIS : no HD1:sc= 0 X(o=-0.99,f=-0.99) USER MOD Set 5.1: A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 14 THR OG1 : rot 178:sc=-0.00604 USER MOD Set 6.2: A 85 LYS NZ :NH3+ -154:sc= -0.0789 (180deg=-0.921) USER MOD Single : A 13 CYS SG : rot -117:sc= 0.982 USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.148 (180deg=-0.95!) USER MOD Single : A 17 LYS NZ :NH3+ 141:sc= 0.0189 (180deg=0) USER MOD Single : A 20 SER OG : rot -41:sc= 0.94 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0284 USER MOD Single : A 27 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-3.2!) USER MOD Single : A 44 SER OG : rot -125:sc= 1.4 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot -174:sc= -2.9! USER MOD Single : A 65 MET CE :methyl 178:sc=-0.00192 (180deg=-0.00548) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 154:sc= 1.18 USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= 2.32 (180deg=-0.73) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 86:sc= 0.115 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.111 -7.901 -1.428 1.00 0.80 N ATOM 107 CA LEU A 8 -7.924 -6.479 -1.651 1.00 0.56 C ATOM 108 C LEU A 8 -7.637 -5.760 -0.340 1.00 0.48 C ATOM 109 O LEU A 8 -8.391 -4.886 0.084 1.00 0.47 O ATOM 110 CB LEU A 8 -9.172 -5.897 -2.314 1.00 0.47 C ATOM 111 CG LEU A 8 -9.592 -6.594 -3.608 1.00 0.56 C ATOM 112 CD1 LEU A 8 -10.907 -6.033 -4.114 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.511 -6.450 -4.665 1.00 0.72 C ATOM 0 HA LEU A 8 -7.067 -6.336 -2.309 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -9.999 -5.946 -1.606 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -8.996 -4.842 -2.526 1.00 0.47 H new ATOM 0 HG LEU A 8 -9.730 -7.655 -3.397 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.189 -6.542 -5.036 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.682 -6.187 -3.363 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.797 -4.966 -4.308 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -8.827 -6.952 -5.579 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.342 -5.393 -4.871 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.587 -6.901 -4.304 1.00 0.72 H new ATOM 125 N ARG A 9 -6.542 -6.139 0.295 1.00 0.52 N ATOM 126 CA ARG A 9 -6.122 -5.517 1.536 1.00 0.51 C ATOM 127 C ARG A 9 -4.653 -5.132 1.437 1.00 0.43 C ATOM 128 O ARG A 9 -3.880 -5.788 0.736 1.00 0.47 O ATOM 129 CB ARG A 9 -6.350 -6.465 2.721 1.00 0.69 C ATOM 130 CG ARG A 9 -5.427 -7.673 2.737 1.00 1.15 C ATOM 131 CD ARG A 9 -5.680 -8.553 3.952 1.00 1.21 C ATOM 132 NE ARG A 9 -4.670 -9.600 4.089 1.00 1.84 N ATOM 133 CZ ARG A 9 -4.883 -10.773 4.691 1.00 2.23 C ATOM 134 NH1 ARG A 9 -6.080 -11.066 5.182 1.00 2.21 N ATOM 135 NH2 ARG A 9 -3.899 -11.655 4.792 1.00 3.09 N ATOM 0 H ARG A 9 -5.924 -6.881 -0.033 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.718 -4.620 1.704 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.218 -5.908 3.649 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.383 -6.811 2.702 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -5.573 -8.256 1.828 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.389 -7.339 2.738 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -5.687 -7.937 4.851 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -6.667 -9.009 3.870 1.00 1.21 H new ATOM 0 HE ARG A 9 -3.744 -9.424 3.700 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -6.843 -10.394 5.101 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -6.237 -11.963 5.641 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -2.978 -11.438 4.410 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -4.062 -12.551 5.252 1.00 3.09 H new ATOM 149 N PRO A 10 -4.252 -4.054 2.121 1.00 0.36 N ATOM 150 CA PRO A 10 -2.868 -3.596 2.123 1.00 0.30 C ATOM 151 C PRO A 10 -1.968 -4.549 2.898 1.00 0.28 C ATOM 152 O PRO A 10 -2.445 -5.374 3.682 1.00 0.38 O ATOM 153 CB PRO A 10 -2.941 -2.238 2.822 1.00 0.29 C ATOM 154 CG PRO A 10 -4.143 -2.329 3.692 1.00 0.47 C ATOM 155 CD PRO A 10 -5.115 -3.206 2.954 1.00 0.40 C ATOM 0 HA PRO A 10 -2.446 -3.542 1.120 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -2.042 -2.044 3.407 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -3.034 -1.426 2.101 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.892 -2.755 4.663 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.568 -1.342 3.877 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.719 -3.800 3.640 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.805 -2.619 2.348 1.00 0.40 H new ATOM 163 N ARG A 11 -0.676 -4.433 2.680 1.00 0.29 N ATOM 164 CA ARG A 11 0.284 -5.276 3.370 1.00 0.34 C ATOM 165 C ARG A 11 1.357 -4.430 4.032 1.00 0.27 C ATOM 166 O ARG A 11 1.855 -3.466 3.445 1.00 0.27 O ATOM 167 CB ARG A 11 0.905 -6.280 2.400 1.00 0.49 C ATOM 168 CG ARG A 11 1.543 -5.642 1.177 1.00 0.63 C ATOM 169 CD ARG A 11 1.766 -6.668 0.084 1.00 1.00 C ATOM 170 NE ARG A 11 0.535 -7.401 -0.202 1.00 1.22 N ATOM 171 CZ ARG A 11 -0.254 -7.154 -1.243 1.00 1.59 C ATOM 172 NH1 ARG A 11 0.090 -6.254 -2.152 1.00 1.95 N ATOM 173 NH2 ARG A 11 -1.390 -7.823 -1.391 1.00 2.37 N ATOM 0 H ARG A 11 -0.263 -3.764 2.031 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.238 -5.831 4.149 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.659 -6.862 2.929 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.135 -6.978 2.073 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.904 -4.842 0.805 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.494 -5.187 1.454 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.117 -6.171 -0.821 1.00 1.00 H new ATOM 0 HD3 ARG A 11 2.547 -7.365 0.388 1.00 1.00 H new ATOM 0 HE ARG A 11 0.264 -8.149 0.437 1.00 1.22 H new ATOM 0 HH11 ARG A 11 0.968 -5.743 -2.057 1.00 1.95 H new ATOM 0 HH12 ARG A 11 -0.523 -6.072 -2.947 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -1.659 -8.528 -0.705 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -1.994 -7.632 -2.190 1.00 2.37 H new ATOM 187 N LEU A 12 1.688 -4.776 5.264 1.00 0.29 N ATOM 188 CA LEU A 12 2.706 -4.059 6.002 1.00 0.26 C ATOM 189 C LEU A 12 4.046 -4.752 5.831 1.00 0.25 C ATOM 190 O LEU A 12 4.258 -5.856 6.338 1.00 0.32 O ATOM 191 CB LEU A 12 2.336 -3.984 7.485 1.00 0.34 C ATOM 192 CG LEU A 12 3.276 -3.146 8.356 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.248 -1.687 7.924 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.900 -3.279 9.826 1.00 1.28 C ATOM 0 H LEU A 12 1.264 -5.551 5.773 1.00 0.29 H new ATOM 0 HA LEU A 12 2.776 -3.044 5.612 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.329 -3.576 7.570 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.304 -4.997 7.886 1.00 0.34 H new ATOM 0 HG LEU A 12 4.291 -3.520 8.226 1.00 0.60 H new ATOM 0 HD11 LEU A 12 3.922 -1.108 8.555 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.567 -1.609 6.885 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.235 -1.298 8.023 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.578 -2.677 10.431 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.877 -2.932 9.973 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.975 -4.324 10.128 1.00 1.28 H new ATOM 206 N CYS A 13 4.938 -4.109 5.114 1.00 0.23 N ATOM 207 CA CYS A 13 6.260 -4.643 4.891 1.00 0.25 C ATOM 208 C CYS A 13 7.235 -3.992 5.858 1.00 0.22 C ATOM 209 O CYS A 13 7.441 -2.784 5.819 1.00 0.24 O ATOM 210 CB CYS A 13 6.683 -4.372 3.448 1.00 0.29 C ATOM 211 SG CYS A 13 5.387 -4.718 2.234 1.00 0.40 S ATOM 0 H CYS A 13 4.769 -3.206 4.671 1.00 0.23 H new ATOM 0 HA CYS A 13 6.257 -5.720 5.060 1.00 0.25 H new ATOM 0 HB2 CYS A 13 6.985 -3.329 3.357 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.558 -4.979 3.215 1.00 0.29 H new ATOM 0 HG CYS A 13 5.773 -5.679 1.449 1.00 0.40 H new ATOM 217 N THR A 14 7.827 -4.782 6.732 1.00 0.23 N ATOM 218 CA THR A 14 8.776 -4.248 7.687 1.00 0.24 C ATOM 219 C THR A 14 10.165 -4.752 7.354 1.00 0.22 C ATOM 220 O THR A 14 10.416 -5.959 7.361 1.00 0.25 O ATOM 221 CB THR A 14 8.420 -4.643 9.130 1.00 0.31 C ATOM 222 OG1 THR A 14 7.075 -4.246 9.423 1.00 0.35 O ATOM 223 CG2 THR A 14 9.374 -3.992 10.126 1.00 0.35 C ATOM 0 H THR A 14 7.669 -5.787 6.800 1.00 0.23 H new ATOM 0 HA THR A 14 8.742 -3.161 7.620 1.00 0.24 H new ATOM 0 HB THR A 14 8.512 -5.725 9.221 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.841 -4.529 10.331 1.00 0.35 H new ATOM 0 HG21 THR A 14 9.100 -4.288 11.139 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.394 -4.315 9.917 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.311 -2.908 10.035 1.00 0.35 H new ATOM 231 N MET A 15 11.059 -3.832 7.069 1.00 0.20 N ATOM 232 CA MET A 15 12.401 -4.183 6.671 1.00 0.19 C ATOM 233 C MET A 15 13.403 -3.443 7.526 1.00 0.21 C ATOM 234 O MET A 15 13.272 -2.243 7.766 1.00 0.21 O ATOM 235 CB MET A 15 12.624 -3.858 5.191 1.00 0.21 C ATOM 236 CG MET A 15 12.384 -2.397 4.849 1.00 0.24 C ATOM 237 SD MET A 15 12.559 -2.039 3.089 1.00 0.88 S ATOM 238 CE MET A 15 11.017 -2.702 2.462 1.00 0.28 C ATOM 0 H MET A 15 10.878 -2.829 7.106 1.00 0.20 H new ATOM 0 HA MET A 15 12.538 -5.255 6.812 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.645 -4.124 4.919 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.961 -4.478 4.587 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.382 -2.115 5.172 1.00 0.24 H new ATOM 0 HG3 MET A 15 13.086 -1.780 5.410 1.00 0.24 H new ATOM 0 HE1 MET A 15 11.224 -3.398 1.649 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.493 -3.224 3.263 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.394 -1.887 2.092 1.00 0.28 H new ATOM 248 N LYS A 16 14.379 -4.170 8.005 1.00 0.29 N ATOM 249 CA LYS A 16 15.442 -3.585 8.775 1.00 0.37 C ATOM 250 C LYS A 16 16.755 -3.757 8.060 1.00 0.40 C ATOM 251 O LYS A 16 16.924 -4.648 7.229 1.00 0.48 O ATOM 252 CB LYS A 16 15.486 -4.175 10.180 1.00 0.50 C ATOM 253 CG LYS A 16 15.372 -5.683 10.241 1.00 0.90 C ATOM 254 CD LYS A 16 16.636 -6.417 9.793 1.00 1.09 C ATOM 255 CE LYS A 16 17.683 -6.512 10.900 1.00 1.96 C ATOM 256 NZ LYS A 16 18.390 -5.229 11.148 1.00 2.58 N ATOM 0 H LYS A 16 14.458 -5.178 7.873 1.00 0.29 H new ATOM 0 HA LYS A 16 15.252 -2.517 8.880 1.00 0.37 H new ATOM 0 HB2 LYS A 16 16.421 -3.876 10.655 1.00 0.50 H new ATOM 0 HB3 LYS A 16 14.677 -3.740 10.767 1.00 0.50 H new ATOM 0 HG2 LYS A 16 15.134 -5.979 11.263 1.00 0.90 H new ATOM 0 HG3 LYS A 16 14.538 -6.000 9.615 1.00 0.90 H new ATOM 0 HD2 LYS A 16 16.371 -7.421 9.462 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.066 -5.901 8.934 1.00 1.09 H new ATOM 0 HE2 LYS A 16 17.200 -6.837 11.821 1.00 1.96 H new ATOM 0 HE3 LYS A 16 18.413 -7.277 10.636 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 19.287 -5.416 11.640 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 18.584 -4.759 10.241 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 17.794 -4.613 11.737 1.00 2.58 H new ATOM 270 N LYS A 17 17.667 -2.887 8.397 1.00 0.41 N ATOM 271 CA LYS A 17 18.927 -2.788 7.703 1.00 0.50 C ATOM 272 C LYS A 17 19.797 -3.998 7.946 1.00 0.60 C ATOM 273 O LYS A 17 20.041 -4.397 9.086 1.00 0.67 O ATOM 274 CB LYS A 17 19.646 -1.519 8.116 1.00 0.51 C ATOM 275 CG LYS A 17 19.133 -0.286 7.408 1.00 0.52 C ATOM 276 CD LYS A 17 19.731 0.981 7.994 1.00 0.53 C ATOM 277 CE LYS A 17 19.103 2.223 7.384 1.00 0.62 C ATOM 278 NZ LYS A 17 19.712 3.474 7.909 1.00 0.92 N ATOM 0 H LYS A 17 17.559 -2.223 9.164 1.00 0.41 H new ATOM 0 HA LYS A 17 18.720 -2.750 6.633 1.00 0.50 H new ATOM 0 HB2 LYS A 17 19.539 -1.383 9.192 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.711 -1.630 7.913 1.00 0.51 H new ATOM 0 HG2 LYS A 17 19.375 -0.347 6.347 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.046 -0.246 7.485 1.00 0.52 H new ATOM 0 HD2 LYS A 17 19.583 0.989 9.074 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.807 0.992 7.819 1.00 0.53 H new ATOM 0 HE2 LYS A 17 19.218 2.192 6.300 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.033 2.227 7.591 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.804 4.165 7.138 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 19.106 3.868 8.656 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 20.652 3.265 8.301 1.00 0.92 H new ATOM 292 N GLY A 18 20.213 -4.593 6.850 1.00 0.68 N ATOM 293 CA GLY A 18 21.129 -5.708 6.894 1.00 0.85 C ATOM 294 C GLY A 18 22.153 -5.609 5.788 1.00 1.05 C ATOM 295 O GLY A 18 23.041 -4.752 5.843 1.00 1.28 O ATOM 0 H GLY A 18 19.928 -4.319 5.910 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.633 -5.732 7.860 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.576 -6.642 6.800 1.00 0.85 H new ATOM 299 N PRO A 19 22.048 -6.458 4.758 1.00 1.24 N ATOM 300 CA PRO A 19 22.928 -6.393 3.589 1.00 1.57 C ATOM 301 C PRO A 19 22.709 -5.105 2.799 1.00 1.57 C ATOM 302 O PRO A 19 21.703 -4.960 2.100 1.00 2.23 O ATOM 303 CB PRO A 19 22.527 -7.617 2.759 1.00 1.91 C ATOM 304 CG PRO A 19 21.146 -7.954 3.208 1.00 1.86 C ATOM 305 CD PRO A 19 21.066 -7.550 4.652 1.00 1.40 C ATOM 0 HA PRO A 19 23.983 -6.393 3.863 1.00 1.57 H new ATOM 0 HB2 PRO A 19 22.552 -7.395 1.692 1.00 1.91 H new ATOM 0 HB3 PRO A 19 23.211 -8.449 2.928 1.00 1.91 H new ATOM 0 HG2 PRO A 19 20.403 -7.423 2.613 1.00 1.86 H new ATOM 0 HG3 PRO A 19 20.947 -9.019 3.090 1.00 1.86 H new ATOM 0 HD2 PRO A 19 20.064 -7.216 4.920 1.00 1.40 H new ATOM 0 HD3 PRO A 19 21.314 -8.379 5.315 1.00 1.40 H new ATOM 313 N SER A 20 23.646 -4.167 2.940 1.00 1.40 N ATOM 314 CA SER A 20 23.564 -2.868 2.276 1.00 1.65 C ATOM 315 C SER A 20 22.347 -2.084 2.777 1.00 1.43 C ATOM 316 O SER A 20 21.772 -1.264 2.057 1.00 1.93 O ATOM 317 CB SER A 20 23.516 -3.049 0.748 1.00 2.14 C ATOM 318 OG SER A 20 23.470 -1.800 0.079 1.00 2.87 O ATOM 0 H SER A 20 24.480 -4.286 3.516 1.00 1.40 H new ATOM 0 HA SER A 20 24.457 -2.294 2.521 1.00 1.65 H new ATOM 0 HB2 SER A 20 24.392 -3.607 0.419 1.00 2.14 H new ATOM 0 HB3 SER A 20 22.641 -3.640 0.478 1.00 2.14 H new ATOM 0 HG SER A 20 22.870 -1.193 0.560 1.00 2.87 H new ATOM 324 N GLY A 21 21.973 -2.328 4.027 1.00 1.04 N ATOM 325 CA GLY A 21 20.790 -1.708 4.583 1.00 0.94 C ATOM 326 C GLY A 21 19.532 -2.365 4.065 1.00 0.97 C ATOM 327 O GLY A 21 19.114 -3.404 4.572 1.00 1.93 O ATOM 0 H GLY A 21 22.472 -2.947 4.666 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.818 -1.777 5.670 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.780 -0.648 4.331 1.00 0.94 H new ATOM 331 N TYR A 22 18.942 -1.766 3.045 1.00 0.74 N ATOM 332 CA TYR A 22 17.759 -2.322 2.408 1.00 0.70 C ATOM 333 C TYR A 22 18.074 -2.601 0.941 1.00 0.89 C ATOM 334 O TYR A 22 19.228 -2.493 0.524 1.00 1.82 O ATOM 335 CB TYR A 22 16.576 -1.354 2.511 1.00 0.64 C ATOM 336 CG TYR A 22 16.370 -0.740 3.882 1.00 0.50 C ATOM 337 CD1 TYR A 22 16.182 -1.554 4.991 1.00 0.47 C ATOM 338 CD2 TYR A 22 16.374 0.639 4.076 1.00 0.55 C ATOM 339 CE1 TYR A 22 16.010 -1.019 6.252 1.00 0.46 C ATOM 340 CE2 TYR A 22 16.201 1.179 5.336 1.00 0.54 C ATOM 341 CZ TYR A 22 15.959 0.428 6.374 1.00 0.46 C ATOM 342 OH TYR A 22 15.850 0.884 7.675 1.00 0.59 O ATOM 0 H TYR A 22 19.265 -0.889 2.637 1.00 0.74 H new ATOM 0 HA TYR A 22 17.483 -3.247 2.915 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.718 -0.551 1.787 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.667 -1.883 2.226 1.00 0.64 H new ATOM 0 HD1 TYR A 22 16.170 -2.627 4.865 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.514 1.295 3.230 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.916 -1.655 7.120 1.00 0.46 H new ATOM 0 HE2 TYR A 22 16.268 2.249 5.464 1.00 0.54 H new ATOM 0 HH TYR A 22 15.823 1.864 7.677 1.00 0.59 H new ATOM 352 N GLY A 23 17.061 -2.943 0.157 1.00 0.43 N ATOM 353 CA GLY A 23 17.294 -3.244 -1.244 1.00 0.42 C ATOM 354 C GLY A 23 16.051 -3.083 -2.093 1.00 0.39 C ATOM 355 O GLY A 23 15.392 -4.066 -2.425 1.00 0.39 O ATOM 0 H GLY A 23 16.090 -3.017 0.461 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.077 -2.589 -1.626 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.661 -4.266 -1.335 1.00 0.42 H new ATOM 359 N PHE A 24 15.722 -1.843 -2.431 1.00 0.37 N ATOM 360 CA PHE A 24 14.569 -1.558 -3.278 1.00 0.36 C ATOM 361 C PHE A 24 14.744 -0.224 -3.990 1.00 0.38 C ATOM 362 O PHE A 24 15.580 0.595 -3.604 1.00 0.40 O ATOM 363 CB PHE A 24 13.270 -1.547 -2.458 1.00 0.34 C ATOM 364 CG PHE A 24 13.214 -0.481 -1.395 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.842 -0.662 -0.174 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.526 0.701 -1.620 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.787 0.314 0.802 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.468 1.680 -0.649 1.00 0.36 C ATOM 369 CZ PHE A 24 13.100 1.487 0.564 1.00 0.36 C ATOM 0 H PHE A 24 16.238 -1.016 -2.131 1.00 0.37 H new ATOM 0 HA PHE A 24 14.500 -2.351 -4.023 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.428 -1.411 -3.136 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.145 -2.521 -1.985 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.382 -1.578 0.018 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.030 0.858 -2.566 1.00 0.34 H new ATOM 0 HE1 PHE A 24 14.281 0.159 1.750 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.929 2.597 -0.837 1.00 0.36 H new ATOM 0 HZ PHE A 24 13.057 2.253 1.325 1.00 0.36 H new ATOM 379 N ASN A 25 13.953 -0.015 -5.031 1.00 0.43 N ATOM 380 CA ASN A 25 13.975 1.232 -5.778 1.00 0.46 C ATOM 381 C ASN A 25 12.567 1.788 -5.917 1.00 0.42 C ATOM 382 O ASN A 25 11.647 1.076 -6.325 1.00 0.39 O ATOM 383 CB ASN A 25 14.589 1.025 -7.167 1.00 0.51 C ATOM 384 CG ASN A 25 16.053 0.637 -7.107 1.00 1.23 C ATOM 385 OD1 ASN A 25 16.932 1.498 -7.076 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.329 -0.656 -7.110 1.00 1.65 N ATOM 0 H ASN A 25 13.282 -0.700 -5.380 1.00 0.43 H new ATOM 0 HA ASN A 25 14.590 1.945 -5.228 1.00 0.46 H new ATOM 0 HB2 ASN A 25 14.033 0.249 -7.694 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.484 1.942 -7.747 1.00 0.51 H new ATOM 0 HD21 ASN A 25 17.299 -0.970 -7.086 1.00 1.65 H new ATOM 0 HD22 ASN A 25 15.572 -1.339 -7.136 1.00 1.65 H new ATOM 393 N LEU A 26 12.398 3.054 -5.573 1.00 0.50 N ATOM 394 CA LEU A 26 11.103 3.712 -5.678 1.00 0.52 C ATOM 395 C LEU A 26 11.089 4.659 -6.869 1.00 0.55 C ATOM 396 O LEU A 26 12.032 5.425 -7.070 1.00 0.73 O ATOM 397 CB LEU A 26 10.791 4.505 -4.406 1.00 0.69 C ATOM 398 CG LEU A 26 10.642 3.677 -3.129 1.00 0.87 C ATOM 399 CD1 LEU A 26 10.367 4.579 -1.936 1.00 1.52 C ATOM 400 CD2 LEU A 26 9.527 2.661 -3.287 1.00 1.48 C ATOM 0 H LEU A 26 13.145 3.651 -5.217 1.00 0.50 H new ATOM 0 HA LEU A 26 10.345 2.940 -5.813 1.00 0.52 H new ATOM 0 HB2 LEU A 26 11.584 5.237 -4.252 1.00 0.69 H new ATOM 0 HB3 LEU A 26 9.868 5.063 -4.565 1.00 0.69 H new ATOM 0 HG LEU A 26 11.577 3.146 -2.952 1.00 0.87 H new ATOM 0 HD11 LEU A 26 10.264 3.972 -1.037 1.00 1.52 H new ATOM 0 HD12 LEU A 26 11.194 5.277 -1.809 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.445 5.136 -2.105 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.433 2.079 -2.370 1.00 1.48 H new ATOM 0 HD22 LEU A 26 8.589 3.179 -3.486 1.00 1.48 H new ATOM 0 HD23 LEU A 26 9.757 1.994 -4.118 1.00 1.48 H new ATOM 412 N HIS A 27 10.022 4.622 -7.654 1.00 0.56 N ATOM 413 CA HIS A 27 9.919 5.508 -8.801 1.00 0.67 C ATOM 414 C HIS A 27 8.627 6.306 -8.750 1.00 0.68 C ATOM 415 O HIS A 27 7.561 5.768 -8.441 1.00 0.95 O ATOM 416 CB HIS A 27 10.041 4.739 -10.127 1.00 1.23 C ATOM 417 CG HIS A 27 8.825 3.971 -10.563 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.956 4.430 -11.526 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.368 2.755 -10.201 1.00 0.81 C ATOM 420 CE1 HIS A 27 7.020 3.526 -11.740 1.00 1.30 C ATOM 421 NE2 HIS A 27 7.246 2.496 -10.948 1.00 1.34 N ATOM 0 H HIS A 27 9.227 3.997 -7.520 1.00 0.56 H new ATOM 0 HA HIS A 27 10.755 6.206 -8.754 1.00 0.67 H new ATOM 0 HB2 HIS A 27 10.297 5.450 -10.913 1.00 1.23 H new ATOM 0 HB3 HIS A 27 10.875 4.042 -10.043 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.805 2.104 -9.459 1.00 0.81 H new ATOM 0 HE1 HIS A 27 6.206 3.614 -12.445 1.00 1.30 H new ATOM 0 HE2 HIS A 27 6.681 1.648 -10.899 1.00 1.34 H new ATOM 430 N SER A 28 8.744 7.590 -9.025 1.00 0.75 N ATOM 431 CA SER A 28 7.601 8.481 -9.051 1.00 1.14 C ATOM 432 C SER A 28 7.201 8.752 -10.491 1.00 1.03 C ATOM 433 O SER A 28 8.016 9.223 -11.288 1.00 1.34 O ATOM 434 CB SER A 28 7.950 9.795 -8.356 1.00 1.74 C ATOM 435 OG SER A 28 8.687 9.557 -7.171 1.00 2.30 O ATOM 0 H SER A 28 9.632 8.044 -9.236 1.00 0.75 H new ATOM 0 HA SER A 28 6.768 8.012 -8.526 1.00 1.14 H new ATOM 0 HB2 SER A 28 8.530 10.425 -9.030 1.00 1.74 H new ATOM 0 HB3 SER A 28 7.036 10.340 -8.118 1.00 1.74 H new ATOM 0 HG SER A 28 9.407 10.217 -7.096 1.00 2.30 H new ATOM 529 N GLN A 35 4.413 6.951 -5.106 1.00 0.74 N ATOM 530 CA GLN A 35 5.647 6.241 -5.405 1.00 0.59 C ATOM 531 C GLN A 35 5.351 4.775 -5.684 1.00 0.52 C ATOM 532 O GLN A 35 4.662 4.112 -4.903 1.00 0.58 O ATOM 533 CB GLN A 35 6.649 6.369 -4.249 1.00 0.58 C ATOM 534 CG GLN A 35 7.443 7.674 -4.233 1.00 0.82 C ATOM 535 CD GLN A 35 6.571 8.915 -4.226 1.00 0.75 C ATOM 536 OE1 GLN A 35 6.150 9.386 -3.175 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.325 9.479 -5.397 1.00 0.78 N ATOM 0 HA GLN A 35 6.094 6.690 -6.292 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.109 6.277 -3.307 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.349 5.535 -4.299 1.00 0.58 H new ATOM 0 HG2 GLN A 35 8.087 7.687 -3.353 1.00 0.82 H new ATOM 0 HG3 GLN A 35 8.095 7.703 -5.106 1.00 0.82 H new ATOM 0 HE21 GLN A 35 6.691 9.060 -6.252 1.00 0.78 H new ATOM 0 HE22 GLN A 35 5.769 10.333 -5.445 1.00 0.78 H new ATOM 546 N PHE A 36 5.854 4.281 -6.802 1.00 0.47 N ATOM 547 CA PHE A 36 5.640 2.896 -7.184 1.00 0.43 C ATOM 548 C PHE A 36 6.944 2.132 -7.041 1.00 0.39 C ATOM 549 O PHE A 36 8.024 2.725 -7.102 1.00 0.45 O ATOM 550 CB PHE A 36 5.142 2.806 -8.631 1.00 0.48 C ATOM 551 CG PHE A 36 3.833 3.498 -8.881 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.794 4.853 -9.174 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.646 2.790 -8.832 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.591 5.487 -9.413 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.438 3.418 -9.068 1.00 0.81 C ATOM 556 CZ PHE A 36 1.410 4.769 -9.359 1.00 0.87 C ATOM 0 H PHE A 36 6.415 4.820 -7.462 1.00 0.47 H new ATOM 0 HA PHE A 36 4.883 2.461 -6.532 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.897 3.235 -9.290 1.00 0.48 H new ATOM 0 HB3 PHE A 36 5.041 1.755 -8.903 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.714 5.418 -9.216 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.663 1.734 -8.607 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.572 6.542 -9.642 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.518 2.854 -9.025 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.468 5.263 -9.544 1.00 0.87 H new ATOM 566 N ILE A 37 6.849 0.828 -6.845 1.00 0.36 N ATOM 567 CA ILE A 37 8.035 0.007 -6.705 1.00 0.33 C ATOM 568 C ILE A 37 8.655 -0.255 -8.069 1.00 0.33 C ATOM 569 O ILE A 37 8.103 -0.992 -8.885 1.00 0.38 O ATOM 570 CB ILE A 37 7.724 -1.338 -6.019 1.00 0.34 C ATOM 571 CG1 ILE A 37 6.983 -1.107 -4.697 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.009 -2.124 -5.782 1.00 0.33 C ATOM 573 CD1 ILE A 37 7.755 -0.280 -3.695 1.00 0.38 C ATOM 0 H ILE A 37 5.967 0.319 -6.780 1.00 0.36 H new ATOM 0 HA ILE A 37 8.737 0.555 -6.077 1.00 0.33 H new ATOM 0 HB ILE A 37 7.080 -1.921 -6.677 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.034 -0.613 -4.906 1.00 0.39 H new ATOM 0 HG13 ILE A 37 6.748 -2.073 -4.251 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.772 -3.071 -5.297 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.498 -2.318 -6.737 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.676 -1.546 -5.143 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.163 -0.162 -2.787 1.00 0.38 H new ATOM 0 HD12 ILE A 37 8.692 -0.782 -3.454 1.00 0.38 H new ATOM 0 HD13 ILE A 37 7.967 0.701 -4.120 1.00 0.38 H new ATOM 585 N ARG A 38 9.791 0.387 -8.314 1.00 0.34 N ATOM 586 CA ARG A 38 10.519 0.228 -9.566 1.00 0.41 C ATOM 587 C ARG A 38 11.084 -1.178 -9.658 1.00 0.40 C ATOM 588 O ARG A 38 11.010 -1.834 -10.701 1.00 0.49 O ATOM 589 CB ARG A 38 11.647 1.255 -9.638 1.00 0.50 C ATOM 590 CG ARG A 38 12.559 1.087 -10.836 1.00 0.67 C ATOM 591 CD ARG A 38 13.752 2.015 -10.739 1.00 1.24 C ATOM 592 NE ARG A 38 14.743 1.748 -11.777 1.00 1.56 N ATOM 593 CZ ARG A 38 16.055 1.639 -11.554 1.00 2.17 C ATOM 594 NH1 ARG A 38 16.549 1.812 -10.330 1.00 2.83 N ATOM 595 NH2 ARG A 38 16.871 1.366 -12.563 1.00 2.62 N ATOM 0 H ARG A 38 10.231 1.029 -7.654 1.00 0.34 H new ATOM 0 HA ARG A 38 9.839 0.389 -10.402 1.00 0.41 H new ATOM 0 HB2 ARG A 38 11.213 2.255 -9.662 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.244 1.188 -8.728 1.00 0.50 H new ATOM 0 HG2 ARG A 38 12.901 0.054 -10.896 1.00 0.67 H new ATOM 0 HG3 ARG A 38 12.005 1.294 -11.752 1.00 0.67 H new ATOM 0 HD2 ARG A 38 13.414 3.048 -10.819 1.00 1.24 H new ATOM 0 HD3 ARG A 38 14.216 1.906 -9.759 1.00 1.24 H new ATOM 0 HE ARG A 38 14.412 1.637 -12.735 1.00 1.56 H new ATOM 0 HH11 ARG A 38 15.924 2.030 -9.554 1.00 2.83 H new ATOM 0 HH12 ARG A 38 17.553 1.727 -10.168 1.00 2.83 H new ATOM 0 HH21 ARG A 38 16.495 1.241 -13.503 1.00 2.62 H new ATOM 0 HH22 ARG A 38 17.874 1.281 -12.399 1.00 2.62 H new ATOM 609 N SER A 39 11.635 -1.621 -8.544 1.00 0.36 N ATOM 610 CA SER A 39 12.233 -2.933 -8.439 1.00 0.40 C ATOM 611 C SER A 39 12.678 -3.178 -7.011 1.00 0.32 C ATOM 612 O SER A 39 13.159 -2.262 -6.340 1.00 0.37 O ATOM 613 CB SER A 39 13.430 -3.045 -9.388 1.00 0.54 C ATOM 614 OG SER A 39 14.300 -1.932 -9.248 1.00 1.26 O ATOM 0 H SER A 39 11.679 -1.076 -7.683 1.00 0.36 H new ATOM 0 HA SER A 39 11.494 -3.684 -8.718 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.976 -3.965 -9.182 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.077 -3.107 -10.417 1.00 0.54 H new ATOM 0 HG SER A 39 15.057 -2.029 -9.863 1.00 1.26 H new ATOM 620 N VAL A 40 12.478 -4.387 -6.530 1.00 0.36 N ATOM 621 CA VAL A 40 13.040 -4.779 -5.259 1.00 0.30 C ATOM 622 C VAL A 40 14.193 -5.743 -5.503 1.00 0.31 C ATOM 623 O VAL A 40 14.026 -6.791 -6.133 1.00 0.37 O ATOM 624 CB VAL A 40 11.980 -5.401 -4.310 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.320 -6.626 -4.918 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.604 -5.745 -2.969 1.00 0.32 C ATOM 0 H VAL A 40 11.933 -5.111 -6.999 1.00 0.36 H new ATOM 0 HA VAL A 40 13.409 -3.885 -4.756 1.00 0.30 H new ATOM 0 HB VAL A 40 11.201 -4.653 -4.158 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.586 -7.028 -4.220 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.823 -6.348 -5.847 1.00 0.37 H new ATOM 0 HG13 VAL A 40 12.077 -7.383 -5.124 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.847 -6.180 -2.316 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.411 -6.462 -3.117 1.00 0.32 H new ATOM 0 HG23 VAL A 40 13.002 -4.840 -2.510 1.00 0.32 H new ATOM 636 N ASP A 41 15.367 -5.364 -5.027 1.00 0.35 N ATOM 637 CA ASP A 41 16.572 -6.145 -5.250 1.00 0.45 C ATOM 638 C ASP A 41 16.465 -7.479 -4.533 1.00 0.48 C ATOM 639 O ASP A 41 16.244 -7.523 -3.327 1.00 0.51 O ATOM 640 CB ASP A 41 17.814 -5.382 -4.770 1.00 0.54 C ATOM 641 CG ASP A 41 18.066 -4.112 -5.560 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.686 -4.191 -6.644 1.00 1.32 O ATOM 643 OD2 ASP A 41 17.658 -3.027 -5.096 1.00 2.28 O ATOM 0 H ASP A 41 15.512 -4.515 -4.480 1.00 0.35 H new ATOM 0 HA ASP A 41 16.675 -6.323 -6.320 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.696 -5.131 -3.716 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.686 -6.031 -4.847 1.00 0.54 H new ATOM 648 N PRO A 42 16.587 -8.583 -5.278 1.00 0.58 N ATOM 649 CA PRO A 42 16.506 -9.932 -4.717 1.00 0.69 C ATOM 650 C PRO A 42 17.569 -10.166 -3.654 1.00 0.69 C ATOM 651 O PRO A 42 18.653 -9.577 -3.712 1.00 1.17 O ATOM 652 CB PRO A 42 16.745 -10.844 -5.926 1.00 0.84 C ATOM 653 CG PRO A 42 16.429 -10.002 -7.112 1.00 0.93 C ATOM 654 CD PRO A 42 16.811 -8.602 -6.730 1.00 0.69 C ATOM 0 HA PRO A 42 15.552 -10.114 -4.221 1.00 0.69 H new ATOM 0 HB2 PRO A 42 17.776 -11.197 -5.956 1.00 0.84 H new ATOM 0 HB3 PRO A 42 16.106 -11.727 -5.887 1.00 0.84 H new ATOM 0 HG2 PRO A 42 16.986 -10.335 -7.988 1.00 0.93 H new ATOM 0 HG3 PRO A 42 15.371 -10.064 -7.365 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.849 -8.384 -6.981 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.197 -7.862 -7.243 1.00 0.69 H new ATOM 662 N ASP A 43 17.248 -11.018 -2.684 1.00 0.75 N ATOM 663 CA ASP A 43 18.161 -11.343 -1.588 1.00 0.87 C ATOM 664 C ASP A 43 18.369 -10.136 -0.676 1.00 0.70 C ATOM 665 O ASP A 43 19.484 -9.872 -0.223 1.00 0.86 O ATOM 666 CB ASP A 43 19.522 -11.829 -2.110 1.00 1.14 C ATOM 667 CG ASP A 43 19.452 -13.126 -2.891 1.00 1.69 C ATOM 668 OD1 ASP A 43 19.524 -14.209 -2.269 1.00 1.92 O ATOM 669 OD2 ASP A 43 19.294 -13.070 -4.128 1.00 2.40 O ATOM 0 H ASP A 43 16.351 -11.502 -2.634 1.00 0.75 H new ATOM 0 HA ASP A 43 17.700 -12.150 -1.018 1.00 0.87 H new ATOM 0 HB2 ASP A 43 19.953 -11.056 -2.746 1.00 1.14 H new ATOM 0 HB3 ASP A 43 20.198 -11.961 -1.265 1.00 1.14 H new ATOM 674 N SER A 44 17.296 -9.403 -0.406 1.00 0.57 N ATOM 675 CA SER A 44 17.382 -8.217 0.437 1.00 0.48 C ATOM 676 C SER A 44 16.304 -8.244 1.518 1.00 0.40 C ATOM 677 O SER A 44 15.343 -9.013 1.425 1.00 0.39 O ATOM 678 CB SER A 44 17.222 -6.956 -0.413 1.00 0.47 C ATOM 679 OG SER A 44 15.888 -6.826 -0.875 1.00 0.46 O ATOM 0 H SER A 44 16.360 -9.607 -0.757 1.00 0.57 H new ATOM 0 HA SER A 44 18.361 -8.209 0.917 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.495 -6.079 0.174 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.904 -6.996 -1.263 1.00 0.47 H new ATOM 0 HG SER A 44 15.887 -6.744 -1.852 1.00 0.46 H new ATOM 685 N PRO A 45 16.446 -7.401 2.557 1.00 0.43 N ATOM 686 CA PRO A 45 15.429 -7.261 3.601 1.00 0.45 C ATOM 687 C PRO A 45 14.127 -6.702 3.040 1.00 0.38 C ATOM 688 O PRO A 45 13.045 -6.967 3.559 1.00 0.39 O ATOM 689 CB PRO A 45 16.043 -6.268 4.593 1.00 0.57 C ATOM 690 CG PRO A 45 17.498 -6.231 4.269 1.00 0.65 C ATOM 691 CD PRO A 45 17.608 -6.534 2.805 1.00 0.52 C ATOM 0 HA PRO A 45 15.178 -8.220 4.053 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.593 -5.281 4.490 1.00 0.57 H new ATOM 0 HB3 PRO A 45 15.878 -6.588 5.622 1.00 0.57 H new ATOM 0 HG2 PRO A 45 17.923 -5.254 4.497 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.047 -6.963 4.861 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.571 -5.627 2.201 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.545 -7.037 2.567 1.00 0.52 H new ATOM 699 N ALA A 46 14.245 -5.936 1.962 1.00 0.35 N ATOM 700 CA ALA A 46 13.087 -5.337 1.317 1.00 0.33 C ATOM 701 C ALA A 46 12.220 -6.416 0.684 1.00 0.30 C ATOM 702 O ALA A 46 11.004 -6.443 0.866 1.00 0.31 O ATOM 703 CB ALA A 46 13.527 -4.319 0.278 1.00 0.36 C ATOM 0 H ALA A 46 15.135 -5.715 1.516 1.00 0.35 H new ATOM 0 HA ALA A 46 12.494 -4.819 2.071 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.649 -3.880 -0.196 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.109 -3.534 0.761 1.00 0.36 H new ATOM 0 HB3 ALA A 46 14.139 -4.812 -0.478 1.00 0.36 H new ATOM 709 N GLU A 47 12.861 -7.323 -0.035 1.00 0.31 N ATOM 710 CA GLU A 47 12.160 -8.440 -0.649 1.00 0.33 C ATOM 711 C GLU A 47 11.598 -9.362 0.433 1.00 0.34 C ATOM 712 O GLU A 47 10.526 -9.946 0.275 1.00 0.40 O ATOM 713 CB GLU A 47 13.111 -9.204 -1.574 1.00 0.40 C ATOM 714 CG GLU A 47 12.486 -10.417 -2.243 1.00 0.53 C ATOM 715 CD GLU A 47 13.476 -11.195 -3.083 1.00 1.12 C ATOM 716 OE1 GLU A 47 14.410 -11.794 -2.506 1.00 2.01 O ATOM 717 OE2 GLU A 47 13.321 -11.215 -4.324 1.00 1.51 O ATOM 0 H GLU A 47 13.866 -7.308 -0.208 1.00 0.31 H new ATOM 0 HA GLU A 47 11.328 -8.062 -1.244 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.474 -8.525 -2.345 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.979 -9.527 -0.999 1.00 0.40 H new ATOM 0 HG2 GLU A 47 12.069 -11.073 -1.479 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.657 -10.093 -2.872 1.00 0.53 H new ATOM 724 N ALA A 48 12.319 -9.461 1.544 1.00 0.34 N ATOM 725 CA ALA A 48 11.902 -10.299 2.661 1.00 0.38 C ATOM 726 C ALA A 48 10.703 -9.703 3.400 1.00 0.37 C ATOM 727 O ALA A 48 9.856 -10.431 3.918 1.00 0.47 O ATOM 728 CB ALA A 48 13.064 -10.511 3.616 1.00 0.44 C ATOM 0 H ALA A 48 13.199 -8.968 1.695 1.00 0.34 H new ATOM 0 HA ALA A 48 11.590 -11.262 2.258 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.742 -11.138 4.447 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.884 -10.999 3.089 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.401 -9.548 3.998 1.00 0.44 H new ATOM 734 N SER A 49 10.625 -8.376 3.436 1.00 0.31 N ATOM 735 CA SER A 49 9.523 -7.691 4.097 1.00 0.32 C ATOM 736 C SER A 49 8.226 -7.876 3.309 1.00 0.35 C ATOM 737 O SER A 49 7.134 -7.607 3.811 1.00 0.40 O ATOM 738 CB SER A 49 9.851 -6.201 4.251 1.00 0.32 C ATOM 739 OG SER A 49 9.804 -5.521 3.010 1.00 0.31 O ATOM 0 H SER A 49 11.314 -7.754 3.014 1.00 0.31 H new ATOM 0 HA SER A 49 9.384 -8.124 5.087 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.145 -5.743 4.943 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.843 -6.091 4.689 1.00 0.32 H new ATOM 0 HG SER A 49 10.051 -6.138 2.290 1.00 0.31 H new ATOM 745 N GLY A 50 8.362 -8.352 2.075 1.00 0.36 N ATOM 746 CA GLY A 50 7.209 -8.589 1.232 1.00 0.43 C ATOM 747 C GLY A 50 6.945 -7.433 0.292 1.00 0.43 C ATOM 748 O GLY A 50 5.827 -6.928 0.219 1.00 0.62 O ATOM 0 H GLY A 50 9.258 -8.579 1.643 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.365 -9.499 0.652 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.332 -8.756 1.857 1.00 0.43 H new ATOM 752 N LEU A 51 7.978 -7.003 -0.419 1.00 0.41 N ATOM 753 CA LEU A 51 7.839 -5.904 -1.361 1.00 0.40 C ATOM 754 C LEU A 51 7.700 -6.452 -2.777 1.00 0.48 C ATOM 755 O LEU A 51 8.240 -7.513 -3.091 1.00 0.65 O ATOM 756 CB LEU A 51 9.037 -4.960 -1.267 1.00 0.38 C ATOM 757 CG LEU A 51 8.803 -3.566 -1.845 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.662 -2.869 -1.112 1.00 0.38 C ATOM 759 CD2 LEU A 51 10.075 -2.741 -1.755 1.00 0.37 C ATOM 0 H LEU A 51 8.917 -7.397 -0.361 1.00 0.41 H new ATOM 0 HA LEU A 51 6.942 -5.338 -1.111 1.00 0.40 H new ATOM 0 HB2 LEU A 51 9.321 -4.860 -0.219 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.881 -5.415 -1.785 1.00 0.38 H new ATOM 0 HG LEU A 51 8.526 -3.666 -2.894 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.509 -1.877 -1.537 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.749 -3.455 -1.220 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.911 -2.777 -0.055 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.896 -1.749 -2.170 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.376 -2.649 -0.711 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.868 -3.232 -2.319 1.00 0.37 H new ATOM 771 N ARG A 52 6.980 -5.732 -3.626 1.00 0.53 N ATOM 772 CA ARG A 52 6.666 -6.219 -4.960 1.00 0.65 C ATOM 773 C ARG A 52 6.591 -5.058 -5.952 1.00 0.55 C ATOM 774 O ARG A 52 6.108 -3.981 -5.613 1.00 0.61 O ATOM 775 CB ARG A 52 5.335 -6.962 -4.908 1.00 0.86 C ATOM 776 CG ARG A 52 4.991 -7.729 -6.168 1.00 1.23 C ATOM 777 CD ARG A 52 3.599 -8.324 -6.067 1.00 2.05 C ATOM 778 NE ARG A 52 3.418 -9.087 -4.831 1.00 2.59 N ATOM 779 CZ ARG A 52 2.428 -8.869 -3.967 1.00 3.57 C ATOM 780 NH1 ARG A 52 1.615 -7.835 -4.140 1.00 4.13 N ATOM 781 NH2 ARG A 52 2.294 -9.658 -2.906 1.00 4.38 N ATOM 0 H ARG A 52 6.603 -4.808 -3.414 1.00 0.53 H new ATOM 0 HA ARG A 52 7.452 -6.895 -5.297 1.00 0.65 H new ATOM 0 HB2 ARG A 52 5.355 -7.658 -4.069 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.540 -6.243 -4.708 1.00 0.86 H new ATOM 0 HG2 ARG A 52 5.047 -7.065 -7.031 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.721 -8.523 -6.328 1.00 1.23 H new ATOM 0 HD2 ARG A 52 2.859 -7.525 -6.112 1.00 2.05 H new ATOM 0 HD3 ARG A 52 3.419 -8.973 -6.924 1.00 2.05 H new ATOM 0 HE ARG A 52 4.087 -9.827 -4.620 1.00 2.59 H new ATOM 0 HH11 ARG A 52 1.749 -7.208 -4.934 1.00 4.13 H new ATOM 0 HH12 ARG A 52 0.856 -7.667 -3.479 1.00 4.13 H new ATOM 0 HH21 ARG A 52 2.948 -10.427 -2.756 1.00 4.38 H new ATOM 0 HH22 ARG A 52 1.537 -9.495 -2.242 1.00 4.38 H new ATOM 795 N ALA A 53 7.052 -5.289 -7.180 1.00 0.53 N ATOM 796 CA ALA A 53 7.163 -4.232 -8.190 1.00 0.54 C ATOM 797 C ALA A 53 5.819 -3.867 -8.827 1.00 0.61 C ATOM 798 O ALA A 53 5.780 -3.204 -9.865 1.00 1.44 O ATOM 799 CB ALA A 53 8.149 -4.648 -9.268 1.00 0.68 C ATOM 0 H ALA A 53 7.358 -6.207 -7.504 1.00 0.53 H new ATOM 0 HA ALA A 53 7.521 -3.341 -7.675 1.00 0.54 H new ATOM 0 HB1 ALA A 53 8.226 -3.858 -10.015 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.127 -4.820 -8.819 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.802 -5.565 -9.744 1.00 0.68 H new ATOM 805 N GLN A 54 4.724 -4.302 -8.225 1.00 0.65 N ATOM 806 CA GLN A 54 3.395 -3.929 -8.695 1.00 0.74 C ATOM 807 C GLN A 54 2.687 -3.100 -7.642 1.00 0.59 C ATOM 808 O GLN A 54 1.595 -2.575 -7.870 1.00 0.67 O ATOM 809 CB GLN A 54 2.552 -5.164 -9.011 1.00 0.99 C ATOM 810 CG GLN A 54 2.976 -5.900 -10.265 1.00 1.46 C ATOM 811 CD GLN A 54 2.017 -7.017 -10.613 1.00 2.34 C ATOM 812 OE1 GLN A 54 1.026 -6.801 -11.310 1.00 2.99 O ATOM 813 NE2 GLN A 54 2.308 -8.218 -10.145 1.00 3.06 N ATOM 0 H GLN A 54 4.727 -4.914 -7.409 1.00 0.65 H new ATOM 0 HA GLN A 54 3.516 -3.346 -9.608 1.00 0.74 H new ATOM 0 HB2 GLN A 54 2.602 -5.850 -8.166 1.00 0.99 H new ATOM 0 HB3 GLN A 54 1.510 -4.862 -9.115 1.00 0.99 H new ATOM 0 HG2 GLN A 54 3.033 -5.198 -11.097 1.00 1.46 H new ATOM 0 HG3 GLN A 54 3.976 -6.310 -10.125 1.00 1.46 H new ATOM 0 HE21 GLN A 54 3.140 -8.354 -9.571 1.00 3.06 H new ATOM 0 HE22 GLN A 54 1.701 -9.009 -10.358 1.00 3.06 H new ATOM 822 N ASP A 55 3.332 -2.976 -6.500 1.00 0.47 N ATOM 823 CA ASP A 55 2.731 -2.352 -5.341 1.00 0.45 C ATOM 824 C ASP A 55 3.030 -0.857 -5.300 1.00 0.39 C ATOM 825 O ASP A 55 4.022 -0.391 -5.871 1.00 0.48 O ATOM 826 CB ASP A 55 3.238 -3.039 -4.073 1.00 0.50 C ATOM 827 CG ASP A 55 2.647 -4.426 -3.881 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.797 -5.268 -4.791 1.00 1.02 O ATOM 829 OD2 ASP A 55 2.019 -4.675 -2.825 1.00 1.01 O ATOM 0 H ASP A 55 4.286 -3.305 -6.350 1.00 0.47 H new ATOM 0 HA ASP A 55 1.649 -2.466 -5.405 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.325 -3.114 -4.115 1.00 0.50 H new ATOM 0 HB3 ASP A 55 2.994 -2.422 -3.208 1.00 0.50 H new ATOM 834 N ARG A 56 2.161 -0.109 -4.631 1.00 0.38 N ATOM 835 CA ARG A 56 2.287 1.337 -4.549 1.00 0.42 C ATOM 836 C ARG A 56 2.306 1.770 -3.086 1.00 0.39 C ATOM 837 O ARG A 56 1.497 1.300 -2.284 1.00 0.39 O ATOM 838 CB ARG A 56 1.118 1.980 -5.308 1.00 0.56 C ATOM 839 CG ARG A 56 1.248 3.478 -5.529 1.00 0.78 C ATOM 840 CD ARG A 56 0.608 4.267 -4.408 1.00 0.79 C ATOM 841 NE ARG A 56 -0.837 4.056 -4.334 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.576 4.428 -3.299 1.00 0.91 C ATOM 843 NH1 ARG A 56 -0.979 4.875 -2.209 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.894 4.294 -3.340 1.00 1.57 N ATOM 0 H ARG A 56 1.355 -0.487 -4.134 1.00 0.38 H new ATOM 0 HA ARG A 56 3.222 1.663 -5.005 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.020 1.491 -6.277 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.197 1.787 -4.759 1.00 0.56 H new ATOM 0 HG2 ARG A 56 2.302 3.744 -5.606 1.00 0.78 H new ATOM 0 HG3 ARG A 56 0.781 3.748 -6.476 1.00 0.78 H new ATOM 0 HD2 ARG A 56 1.063 3.981 -3.460 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.811 5.328 -4.552 1.00 0.79 H new ATOM 0 HE ARG A 56 -1.300 3.599 -5.120 1.00 0.89 H new ATOM 0 HH11 ARG A 56 0.039 4.931 -2.171 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -1.536 5.165 -1.405 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -3.341 3.904 -4.169 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.461 4.581 -2.542 1.00 1.57 H new ATOM 858 N ILE A 57 3.237 2.658 -2.746 1.00 0.40 N ATOM 859 CA ILE A 57 3.413 3.113 -1.366 1.00 0.38 C ATOM 860 C ILE A 57 2.180 3.863 -0.875 1.00 0.38 C ATOM 861 O ILE A 57 1.741 4.832 -1.498 1.00 0.49 O ATOM 862 CB ILE A 57 4.644 4.040 -1.232 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.906 3.358 -1.774 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.846 4.454 0.219 1.00 0.45 C ATOM 865 CD1 ILE A 57 6.304 2.112 -1.013 1.00 0.68 C ATOM 0 H ILE A 57 3.886 3.080 -3.411 1.00 0.40 H new ATOM 0 HA ILE A 57 3.565 2.222 -0.756 1.00 0.38 H new ATOM 0 HB ILE A 57 4.459 4.935 -1.826 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.746 3.097 -2.820 1.00 0.53 H new ATOM 0 HG13 ILE A 57 6.732 4.069 -1.746 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.716 5.106 0.294 1.00 0.45 H new ATOM 0 HG22 ILE A 57 3.963 4.986 0.572 1.00 0.45 H new ATOM 0 HG23 ILE A 57 5.004 3.567 0.832 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.205 1.687 -1.456 1.00 0.68 H new ATOM 0 HD12 ILE A 57 6.498 2.368 0.029 1.00 0.68 H new ATOM 0 HD13 ILE A 57 5.496 1.382 -1.063 1.00 0.68 H new ATOM 877 N VAL A 58 1.624 3.402 0.235 1.00 0.29 N ATOM 878 CA VAL A 58 0.474 4.054 0.841 1.00 0.32 C ATOM 879 C VAL A 58 0.872 4.748 2.140 1.00 0.30 C ATOM 880 O VAL A 58 0.600 5.935 2.332 1.00 0.37 O ATOM 881 CB VAL A 58 -0.662 3.055 1.137 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.900 3.790 1.624 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.984 2.212 -0.089 1.00 0.62 C ATOM 0 H VAL A 58 1.952 2.576 0.736 1.00 0.29 H new ATOM 0 HA VAL A 58 0.113 4.790 0.122 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.325 2.382 1.925 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.693 3.071 1.829 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.663 4.338 2.536 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.233 4.489 0.857 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.789 1.516 0.149 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.296 2.862 -0.906 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.098 1.653 -0.389 1.00 0.62 H new ATOM 893 N GLU A 59 1.524 4.004 3.026 1.00 0.24 N ATOM 894 CA GLU A 59 1.943 4.545 4.319 1.00 0.25 C ATOM 895 C GLU A 59 3.394 4.168 4.603 1.00 0.22 C ATOM 896 O GLU A 59 3.868 3.122 4.156 1.00 0.23 O ATOM 897 CB GLU A 59 1.052 4.031 5.465 1.00 0.29 C ATOM 898 CG GLU A 59 -0.439 4.293 5.287 1.00 0.40 C ATOM 899 CD GLU A 59 -1.215 4.163 6.590 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.198 3.067 7.194 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.862 5.147 7.007 1.00 0.89 O ATOM 0 H GLU A 59 1.775 3.027 2.876 1.00 0.24 H new ATOM 0 HA GLU A 59 1.845 5.629 4.266 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.207 2.957 5.572 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.379 4.495 6.396 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.582 5.294 4.881 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.843 3.592 4.556 1.00 0.40 H new ATOM 908 N VAL A 60 4.094 5.026 5.333 1.00 0.22 N ATOM 909 CA VAL A 60 5.461 4.742 5.759 1.00 0.21 C ATOM 910 C VAL A 60 5.562 4.852 7.277 1.00 0.22 C ATOM 911 O VAL A 60 5.217 5.883 7.852 1.00 0.27 O ATOM 912 CB VAL A 60 6.490 5.702 5.114 1.00 0.23 C ATOM 913 CG1 VAL A 60 7.900 5.359 5.573 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.402 5.660 3.596 1.00 0.66 C ATOM 0 H VAL A 60 3.737 5.929 5.645 1.00 0.22 H new ATOM 0 HA VAL A 60 5.696 3.729 5.432 1.00 0.21 H new ATOM 0 HB VAL A 60 6.253 6.715 5.439 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.610 6.044 5.110 1.00 0.54 H new ATOM 0 HG12 VAL A 60 7.962 5.451 6.657 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.139 4.336 5.281 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.136 6.344 3.170 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.605 4.647 3.248 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.402 5.959 3.281 1.00 0.66 H new ATOM 924 N ASN A 61 6.012 3.774 7.913 1.00 0.25 N ATOM 925 CA ASN A 61 6.131 3.697 9.376 1.00 0.30 C ATOM 926 C ASN A 61 4.773 3.874 10.049 1.00 0.36 C ATOM 927 O ASN A 61 4.692 4.212 11.229 1.00 0.47 O ATOM 928 CB ASN A 61 7.113 4.744 9.921 1.00 0.39 C ATOM 929 CG ASN A 61 8.530 4.566 9.407 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.970 3.451 9.106 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.260 5.667 9.315 1.00 0.61 N ATOM 0 H ASN A 61 6.307 2.924 7.432 1.00 0.25 H new ATOM 0 HA ASN A 61 6.518 2.705 9.609 1.00 0.30 H new ATOM 0 HB2 ASN A 61 6.759 5.739 9.651 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.120 4.693 11.010 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.224 5.614 8.985 1.00 0.61 H new ATOM 0 HD22 ASN A 61 8.858 6.568 9.574 1.00 0.61 H new ATOM 938 N GLY A 62 3.709 3.636 9.293 1.00 0.37 N ATOM 939 CA GLY A 62 2.369 3.806 9.819 1.00 0.50 C ATOM 940 C GLY A 62 1.823 5.197 9.559 1.00 0.51 C ATOM 941 O GLY A 62 0.709 5.521 9.967 1.00 0.66 O ATOM 0 H GLY A 62 3.751 3.327 8.322 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.707 3.067 9.367 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.375 3.615 10.892 1.00 0.50 H new ATOM 945 N VAL A 63 2.616 6.023 8.889 1.00 0.42 N ATOM 946 CA VAL A 63 2.212 7.380 8.545 1.00 0.50 C ATOM 947 C VAL A 63 1.733 7.435 7.098 1.00 0.43 C ATOM 948 O VAL A 63 2.480 7.095 6.177 1.00 0.39 O ATOM 949 CB VAL A 63 3.375 8.378 8.742 1.00 0.61 C ATOM 950 CG1 VAL A 63 2.941 9.794 8.410 1.00 0.98 C ATOM 951 CG2 VAL A 63 3.910 8.305 10.162 1.00 1.17 C ATOM 0 H VAL A 63 3.552 5.773 8.570 1.00 0.42 H new ATOM 0 HA VAL A 63 1.397 7.664 9.211 1.00 0.50 H new ATOM 0 HB VAL A 63 4.175 8.099 8.056 1.00 0.61 H new ATOM 0 HG11 VAL A 63 3.779 10.475 8.557 1.00 0.98 H new ATOM 0 HG12 VAL A 63 2.614 9.840 7.371 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.118 10.085 9.063 1.00 0.98 H new ATOM 0 HG21 VAL A 63 4.728 9.016 10.280 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.113 8.550 10.864 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.273 7.297 10.363 1.00 1.17 H new ATOM 961 N CYS A 64 0.484 7.845 6.913 1.00 0.49 N ATOM 962 CA CYS A 64 -0.128 7.909 5.591 1.00 0.49 C ATOM 963 C CYS A 64 0.570 8.929 4.702 1.00 0.47 C ATOM 964 O CYS A 64 0.884 10.036 5.135 1.00 0.51 O ATOM 965 CB CYS A 64 -1.616 8.251 5.709 1.00 0.59 C ATOM 966 SG CYS A 64 -2.513 8.196 4.139 1.00 1.68 S ATOM 0 H CYS A 64 -0.131 8.141 7.671 1.00 0.49 H new ATOM 0 HA CYS A 64 -0.020 6.928 5.129 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -2.083 7.556 6.407 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.716 9.248 6.137 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.729 8.619 4.319 1.00 1.68 H new ATOM 972 N MET A 65 0.806 8.543 3.460 1.00 0.48 N ATOM 973 CA MET A 65 1.461 9.405 2.495 1.00 0.53 C ATOM 974 C MET A 65 0.550 9.612 1.294 1.00 0.61 C ATOM 975 O MET A 65 0.755 9.036 0.226 1.00 0.81 O ATOM 976 CB MET A 65 2.797 8.800 2.057 1.00 0.61 C ATOM 977 CG MET A 65 3.781 8.611 3.200 1.00 0.63 C ATOM 978 SD MET A 65 4.245 10.166 3.988 1.00 0.61 S ATOM 979 CE MET A 65 5.328 9.575 5.284 1.00 0.74 C ATOM 0 H MET A 65 0.549 7.626 3.094 1.00 0.48 H new ATOM 0 HA MET A 65 1.662 10.371 2.959 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.612 7.836 1.584 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.248 9.444 1.302 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.342 7.948 3.946 1.00 0.63 H new ATOM 0 HG3 MET A 65 4.677 8.118 2.824 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.727 10.423 5.840 1.00 0.74 H new ATOM 0 HE2 MET A 65 4.768 8.929 5.960 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.150 9.012 4.842 1.00 0.74 H new ATOM 989 N GLU A 66 -0.482 10.412 1.501 1.00 0.83 N ATOM 990 CA GLU A 66 -1.447 10.715 0.450 1.00 1.01 C ATOM 991 C GLU A 66 -1.120 12.051 -0.213 1.00 1.08 C ATOM 992 O GLU A 66 -0.915 12.125 -1.425 1.00 1.86 O ATOM 993 CB GLU A 66 -2.866 10.755 1.027 1.00 1.29 C ATOM 994 CG GLU A 66 -3.935 11.096 -0.002 1.00 2.19 C ATOM 995 CD GLU A 66 -5.272 11.419 0.630 1.00 3.03 C ATOM 996 OE1 GLU A 66 -5.396 12.504 1.236 1.00 3.33 O ATOM 997 OE2 GLU A 66 -6.209 10.606 0.515 1.00 3.75 O ATOM 0 H GLU A 66 -0.677 10.868 2.393 1.00 0.83 H new ATOM 0 HA GLU A 66 -1.390 9.928 -0.302 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -3.096 9.786 1.470 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.901 11.489 1.832 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -3.603 11.948 -0.596 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -4.055 10.257 -0.687 1.00 2.19 H new ATOM 1004 N GLY A 67 -1.069 13.102 0.594 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.798 14.428 0.077 1.00 1.36 C ATOM 1006 C GLY A 67 0.604 14.888 0.409 1.00 1.24 C ATOM 1007 O GLY A 67 0.927 16.074 0.300 1.00 1.47 O ATOM 0 H GLY A 67 -1.211 13.059 1.603 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.934 14.431 -1.004 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.519 15.133 0.491 1.00 1.36 H new ATOM 1011 N LYS A 68 1.431 13.949 0.841 1.00 0.97 N ATOM 1012 CA LYS A 68 2.826 14.233 1.131 1.00 0.87 C ATOM 1013 C LYS A 68 3.668 14.107 -0.129 1.00 0.90 C ATOM 1014 O LYS A 68 3.256 13.476 -1.104 1.00 1.06 O ATOM 1015 CB LYS A 68 3.334 13.301 2.231 1.00 0.73 C ATOM 1016 CG LYS A 68 2.612 13.506 3.553 1.00 1.24 C ATOM 1017 CD LYS A 68 2.651 14.967 3.972 1.00 2.01 C ATOM 1018 CE LYS A 68 1.776 15.235 5.181 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.309 14.599 6.411 1.00 3.36 N ATOM 0 H LYS A 68 1.158 12.979 0.999 1.00 0.97 H new ATOM 0 HA LYS A 68 2.912 15.259 1.488 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.210 12.266 1.911 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.402 13.465 2.376 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.577 13.177 3.461 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.075 12.890 4.324 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.679 15.252 4.198 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.322 15.591 3.141 1.00 2.01 H new ATOM 0 HE2 LYS A 68 1.694 16.311 5.337 1.00 2.81 H new ATOM 0 HE3 LYS A 68 0.770 14.863 4.989 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 1.679 14.809 7.211 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 2.363 13.570 6.274 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 3.259 14.972 6.611 1.00 3.36 H new ATOM 1033 N GLN A 69 4.843 14.716 -0.105 1.00 0.87 N ATOM 1034 CA GLN A 69 5.674 14.816 -1.295 1.00 0.93 C ATOM 1035 C GLN A 69 6.633 13.637 -1.405 1.00 0.81 C ATOM 1036 O GLN A 69 6.744 12.829 -0.482 1.00 0.74 O ATOM 1037 CB GLN A 69 6.473 16.118 -1.264 1.00 1.07 C ATOM 1038 CG GLN A 69 5.633 17.346 -0.961 1.00 1.33 C ATOM 1039 CD GLN A 69 6.470 18.590 -0.760 1.00 2.12 C ATOM 1040 OE1 GLN A 69 7.531 18.748 -1.366 1.00 2.64 O ATOM 1041 NE2 GLN A 69 6.012 19.470 0.112 1.00 2.89 N ATOM 0 H GLN A 69 5.244 15.149 0.727 1.00 0.87 H new ATOM 0 HA GLN A 69 5.015 14.805 -2.163 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.259 16.033 -0.514 1.00 1.07 H new ATOM 0 HB3 GLN A 69 6.965 16.254 -2.227 1.00 1.07 H new ATOM 0 HG2 GLN A 69 4.932 17.513 -1.779 1.00 1.33 H new ATOM 0 HG3 GLN A 69 5.040 17.163 -0.065 1.00 1.33 H new ATOM 0 HE21 GLN A 69 5.128 19.300 0.592 1.00 2.89 H new ATOM 0 HE22 GLN A 69 6.542 20.320 0.305 1.00 2.89 H new ATOM 1050 N HIS A 70 7.337 13.557 -2.526 1.00 0.84 N ATOM 1051 CA HIS A 70 8.353 12.528 -2.725 1.00 0.79 C ATOM 1052 C HIS A 70 9.419 12.626 -1.636 1.00 0.70 C ATOM 1053 O HIS A 70 9.936 11.614 -1.166 1.00 0.65 O ATOM 1054 CB HIS A 70 8.987 12.679 -4.113 1.00 0.88 C ATOM 1055 CG HIS A 70 10.129 11.742 -4.384 1.00 0.90 C ATOM 1056 ND1 HIS A 70 11.422 12.178 -4.572 1.00 1.42 N ATOM 1057 CD2 HIS A 70 10.168 10.394 -4.514 1.00 1.37 C ATOM 1058 CE1 HIS A 70 12.206 11.145 -4.808 1.00 1.31 C ATOM 1059 NE2 HIS A 70 11.472 10.047 -4.782 1.00 1.13 N ATOM 0 H HIS A 70 7.224 14.194 -3.315 1.00 0.84 H new ATOM 0 HA HIS A 70 7.883 11.547 -2.662 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.217 12.521 -4.869 1.00 0.88 H new ATOM 0 HB3 HIS A 70 9.340 13.704 -4.227 1.00 0.88 H new ATOM 0 HD2 HIS A 70 9.331 9.718 -4.424 1.00 1.37 H new ATOM 0 HE1 HIS A 70 13.269 11.189 -4.992 1.00 1.31 H new ATOM 0 HE2 HIS A 70 11.815 9.099 -4.935 1.00 1.13 H new ATOM 1068 N GLY A 71 9.733 13.851 -1.235 1.00 0.72 N ATOM 1069 CA GLY A 71 10.675 14.059 -0.154 1.00 0.69 C ATOM 1070 C GLY A 71 10.193 13.464 1.156 1.00 0.62 C ATOM 1071 O GLY A 71 10.981 12.887 1.902 1.00 0.62 O ATOM 0 H GLY A 71 9.351 14.706 -1.640 1.00 0.72 H new ATOM 0 HA2 GLY A 71 11.634 13.615 -0.421 1.00 0.69 H new ATOM 0 HA3 GLY A 71 10.844 15.128 -0.024 1.00 0.69 H new ATOM 1075 N ASP A 72 8.891 13.579 1.420 1.00 0.61 N ATOM 1076 CA ASP A 72 8.309 13.090 2.669 1.00 0.58 C ATOM 1077 C ASP A 72 8.472 11.587 2.798 1.00 0.49 C ATOM 1078 O ASP A 72 8.923 11.092 3.828 1.00 0.44 O ATOM 1079 CB ASP A 72 6.815 13.427 2.749 1.00 0.68 C ATOM 1080 CG ASP A 72 6.539 14.881 3.052 1.00 1.16 C ATOM 1081 OD1 ASP A 72 6.497 15.691 2.101 1.00 2.03 O ATOM 1082 OD2 ASP A 72 6.365 15.226 4.238 1.00 1.47 O ATOM 0 H ASP A 72 8.219 14.008 0.784 1.00 0.61 H new ATOM 0 HA ASP A 72 8.840 13.585 3.482 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.341 13.165 1.803 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.352 12.810 3.519 1.00 0.68 H new ATOM 1087 N VAL A 73 8.132 10.864 1.740 1.00 0.50 N ATOM 1088 CA VAL A 73 8.153 9.407 1.786 1.00 0.45 C ATOM 1089 C VAL A 73 9.581 8.874 1.918 1.00 0.44 C ATOM 1090 O VAL A 73 9.830 7.934 2.670 1.00 0.43 O ATOM 1091 CB VAL A 73 7.461 8.776 0.554 1.00 0.51 C ATOM 1092 CG1 VAL A 73 6.004 9.208 0.481 1.00 1.08 C ATOM 1093 CG2 VAL A 73 8.182 9.130 -0.737 1.00 0.97 C ATOM 0 H VAL A 73 7.840 11.258 0.845 1.00 0.50 H new ATOM 0 HA VAL A 73 7.589 9.116 2.672 1.00 0.45 H new ATOM 0 HB VAL A 73 7.503 7.693 0.672 1.00 0.51 H new ATOM 0 HG11 VAL A 73 5.533 8.755 -0.391 1.00 1.08 H new ATOM 0 HG12 VAL A 73 5.483 8.886 1.383 1.00 1.08 H new ATOM 0 HG13 VAL A 73 5.950 10.294 0.399 1.00 1.08 H new ATOM 0 HG21 VAL A 73 7.667 8.669 -1.580 1.00 0.97 H new ATOM 0 HG22 VAL A 73 8.190 10.212 -0.864 1.00 0.97 H new ATOM 0 HG23 VAL A 73 9.207 8.763 -0.694 1.00 0.97 H new ATOM 1103 N VAL A 74 10.513 9.492 1.203 1.00 0.49 N ATOM 1104 CA VAL A 74 11.916 9.089 1.259 1.00 0.53 C ATOM 1105 C VAL A 74 12.515 9.413 2.623 1.00 0.51 C ATOM 1106 O VAL A 74 13.196 8.582 3.234 1.00 0.52 O ATOM 1107 CB VAL A 74 12.749 9.775 0.151 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.218 9.394 0.259 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.210 9.413 -1.225 1.00 0.70 C ATOM 0 H VAL A 74 10.324 10.275 0.577 1.00 0.49 H new ATOM 0 HA VAL A 74 11.949 8.012 1.097 1.00 0.53 H new ATOM 0 HB VAL A 74 12.665 10.853 0.286 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.781 9.890 -0.532 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.604 9.705 1.230 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.322 8.314 0.156 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.809 9.905 -1.991 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.260 8.333 -1.363 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.174 9.741 -1.308 1.00 0.70 H new ATOM 1119 N SER A 75 12.237 10.614 3.107 1.00 0.51 N ATOM 1120 CA SER A 75 12.748 11.054 4.393 1.00 0.52 C ATOM 1121 C SER A 75 12.157 10.209 5.518 1.00 0.47 C ATOM 1122 O SER A 75 12.843 9.891 6.485 1.00 0.51 O ATOM 1123 CB SER A 75 12.434 12.538 4.611 1.00 0.58 C ATOM 1124 OG SER A 75 13.052 13.033 5.788 1.00 0.66 O ATOM 0 H SER A 75 11.658 11.302 2.626 1.00 0.51 H new ATOM 0 HA SER A 75 13.830 10.926 4.400 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.775 13.113 3.750 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.355 12.676 4.680 1.00 0.58 H new ATOM 0 HG SER A 75 12.834 13.982 5.898 1.00 0.66 H new ATOM 1130 N ALA A 76 10.890 9.829 5.376 1.00 0.42 N ATOM 1131 CA ALA A 76 10.220 9.005 6.374 1.00 0.39 C ATOM 1132 C ALA A 76 10.897 7.646 6.511 1.00 0.37 C ATOM 1133 O ALA A 76 11.054 7.132 7.618 1.00 0.39 O ATOM 1134 CB ALA A 76 8.753 8.830 6.022 1.00 0.39 C ATOM 0 H ALA A 76 10.307 10.080 4.577 1.00 0.42 H new ATOM 0 HA ALA A 76 10.292 9.517 7.333 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.269 8.212 6.778 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.269 9.806 5.986 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.667 8.346 5.049 1.00 0.39 H new ATOM 1140 N ILE A 77 11.299 7.067 5.384 1.00 0.37 N ATOM 1141 CA ILE A 77 12.024 5.802 5.394 1.00 0.39 C ATOM 1142 C ILE A 77 13.330 5.946 6.176 1.00 0.41 C ATOM 1143 O ILE A 77 13.665 5.112 7.017 1.00 0.44 O ATOM 1144 CB ILE A 77 12.338 5.335 3.958 1.00 0.45 C ATOM 1145 CG1 ILE A 77 11.038 5.125 3.180 1.00 0.53 C ATOM 1146 CG2 ILE A 77 13.162 4.054 3.973 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.245 4.955 1.693 1.00 0.69 C ATOM 0 H ILE A 77 11.135 7.453 4.454 1.00 0.37 H new ATOM 0 HA ILE A 77 11.391 5.057 5.876 1.00 0.39 H new ATOM 0 HB ILE A 77 12.925 6.109 3.463 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.529 4.244 3.571 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.380 5.976 3.352 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.371 3.744 2.949 1.00 0.50 H new ATOM 0 HG22 ILE A 77 14.101 4.231 4.497 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.604 3.269 4.483 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.281 4.811 1.206 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.726 5.845 1.289 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.877 4.086 1.511 1.00 0.69 H new ATOM 1159 N ARG A 78 14.041 7.036 5.908 1.00 0.43 N ATOM 1160 CA ARG A 78 15.319 7.312 6.561 1.00 0.50 C ATOM 1161 C ARG A 78 15.118 7.625 8.042 1.00 0.50 C ATOM 1162 O ARG A 78 15.934 7.247 8.886 1.00 0.56 O ATOM 1163 CB ARG A 78 16.017 8.487 5.870 1.00 0.58 C ATOM 1164 CG ARG A 78 16.339 8.224 4.410 1.00 0.66 C ATOM 1165 CD ARG A 78 16.915 9.455 3.734 1.00 0.89 C ATOM 1166 NE ARG A 78 17.327 9.184 2.359 1.00 1.59 N ATOM 1167 CZ ARG A 78 17.700 10.124 1.494 1.00 2.11 C ATOM 1168 NH1 ARG A 78 17.629 11.405 1.827 1.00 2.12 N ATOM 1169 NH2 ARG A 78 18.121 9.787 0.283 1.00 3.09 N ATOM 0 H ARG A 78 13.752 7.749 5.238 1.00 0.43 H new ATOM 0 HA ARG A 78 15.944 6.423 6.479 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.382 9.370 5.941 1.00 0.58 H new ATOM 0 HB3 ARG A 78 16.940 8.715 6.402 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.050 7.401 4.336 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.435 7.911 3.888 1.00 0.66 H new ATOM 0 HD2 ARG A 78 16.172 10.252 3.739 1.00 0.89 H new ATOM 0 HD3 ARG A 78 17.771 9.814 4.305 1.00 0.89 H new ATOM 0 HE ARG A 78 17.329 8.214 2.042 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.287 11.674 2.750 1.00 2.12 H new ATOM 0 HH12 ARG A 78 17.916 12.122 1.161 1.00 2.12 H new ATOM 0 HH21 ARG A 78 18.160 8.805 0.012 1.00 3.09 H new ATOM 0 HH22 ARG A 78 18.406 10.510 -0.377 1.00 3.09 H new ATOM 1183 N ALA A 79 14.019 8.307 8.345 1.00 0.47 N ATOM 1184 CA ALA A 79 13.681 8.672 9.715 1.00 0.51 C ATOM 1185 C ALA A 79 13.186 7.460 10.497 1.00 0.43 C ATOM 1186 O ALA A 79 13.000 7.522 11.713 1.00 0.46 O ATOM 1187 CB ALA A 79 12.631 9.775 9.727 1.00 0.65 C ATOM 0 H ALA A 79 13.340 8.621 7.651 1.00 0.47 H new ATOM 0 HA ALA A 79 14.584 9.043 10.199 1.00 0.51 H new ATOM 0 HB1 ALA A 79 12.389 10.036 10.757 1.00 0.65 H new ATOM 0 HB2 ALA A 79 13.020 10.653 9.212 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.731 9.426 9.221 1.00 0.65 H new ATOM 1193 N GLY A 80 12.961 6.360 9.788 1.00 0.41 N ATOM 1194 CA GLY A 80 12.591 5.124 10.443 1.00 0.42 C ATOM 1195 C GLY A 80 13.721 4.598 11.302 1.00 0.46 C ATOM 1196 O GLY A 80 13.490 3.985 12.346 1.00 0.60 O ATOM 0 H GLY A 80 13.029 6.304 8.772 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.708 5.287 11.060 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.323 4.379 9.694 1.00 0.42 H new ATOM 1200 N GLY A 81 14.945 4.870 10.874 1.00 0.49 N ATOM 1201 CA GLY A 81 16.107 4.413 11.602 1.00 0.63 C ATOM 1202 C GLY A 81 16.763 3.235 10.922 1.00 0.64 C ATOM 1203 O GLY A 81 17.132 3.312 9.749 1.00 1.10 O ATOM 0 H GLY A 81 15.153 5.403 10.030 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.825 5.228 11.691 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.816 4.133 12.614 1.00 0.63 H new ATOM 1207 N ASP A 82 16.896 2.142 11.652 1.00 0.43 N ATOM 1208 CA ASP A 82 17.499 0.933 11.116 1.00 0.44 C ATOM 1209 C ASP A 82 16.426 -0.062 10.715 1.00 0.39 C ATOM 1210 O ASP A 82 16.724 -1.132 10.192 1.00 0.55 O ATOM 1211 CB ASP A 82 18.447 0.299 12.135 1.00 0.55 C ATOM 1212 CG ASP A 82 19.762 1.039 12.243 1.00 1.41 C ATOM 1213 OD1 ASP A 82 19.764 2.183 12.749 1.00 1.97 O ATOM 1214 OD2 ASP A 82 20.801 0.481 11.835 1.00 2.12 O ATOM 0 H ASP A 82 16.593 2.066 12.623 1.00 0.43 H new ATOM 0 HA ASP A 82 18.075 1.207 10.232 1.00 0.44 H new ATOM 0 HB2 ASP A 82 17.964 0.279 13.112 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.639 -0.736 11.853 1.00 0.55 H new ATOM 1219 N GLU A 83 15.180 0.289 10.992 1.00 0.38 N ATOM 1220 CA GLU A 83 14.035 -0.496 10.555 1.00 0.39 C ATOM 1221 C GLU A 83 12.987 0.456 9.993 1.00 0.38 C ATOM 1222 O GLU A 83 12.772 1.537 10.547 1.00 0.53 O ATOM 1223 CB GLU A 83 13.415 -1.278 11.716 1.00 0.47 C ATOM 1224 CG GLU A 83 14.416 -1.967 12.623 1.00 0.86 C ATOM 1225 CD GLU A 83 13.743 -2.819 13.675 1.00 1.62 C ATOM 1226 OE1 GLU A 83 12.851 -2.306 14.381 1.00 2.00 O ATOM 1227 OE2 GLU A 83 14.091 -4.012 13.796 1.00 2.11 O ATOM 0 H GLU A 83 14.934 1.123 11.524 1.00 0.38 H new ATOM 0 HA GLU A 83 14.369 -1.210 9.802 1.00 0.39 H new ATOM 0 HB2 GLU A 83 12.812 -0.595 12.315 1.00 0.47 H new ATOM 0 HB3 GLU A 83 12.737 -2.029 11.310 1.00 0.47 H new ATOM 0 HG2 GLU A 83 15.078 -2.590 12.023 1.00 0.86 H new ATOM 0 HG3 GLU A 83 15.039 -1.217 13.110 1.00 0.86 H new ATOM 1234 N THR A 84 12.337 0.074 8.913 1.00 0.27 N ATOM 1235 CA THR A 84 11.281 0.895 8.345 1.00 0.26 C ATOM 1236 C THR A 84 10.120 0.023 7.879 1.00 0.22 C ATOM 1237 O THR A 84 10.313 -1.127 7.478 1.00 0.21 O ATOM 1238 CB THR A 84 11.799 1.775 7.180 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.768 2.667 6.732 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.275 0.928 6.010 1.00 0.30 C ATOM 0 H THR A 84 12.518 -0.795 8.411 1.00 0.27 H new ATOM 0 HA THR A 84 10.928 1.564 9.130 1.00 0.26 H new ATOM 0 HB THR A 84 12.645 2.350 7.557 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.197 2.913 7.489 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.631 1.578 5.211 1.00 0.30 H new ATOM 0 HG22 THR A 84 13.086 0.278 6.338 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.449 0.320 5.641 1.00 0.30 H new ATOM 1248 N LYS A 85 8.913 0.561 7.962 1.00 0.24 N ATOM 1249 CA LYS A 85 7.727 -0.177 7.568 1.00 0.23 C ATOM 1250 C LYS A 85 7.048 0.504 6.392 1.00 0.23 C ATOM 1251 O LYS A 85 6.698 1.679 6.463 1.00 0.26 O ATOM 1252 CB LYS A 85 6.737 -0.280 8.730 1.00 0.28 C ATOM 1253 CG LYS A 85 7.332 -0.849 10.006 1.00 0.37 C ATOM 1254 CD LYS A 85 6.272 -0.984 11.082 1.00 0.50 C ATOM 1255 CE LYS A 85 6.881 -1.268 12.447 1.00 0.78 C ATOM 1256 NZ LYS A 85 7.653 -2.538 12.467 1.00 1.63 N ATOM 0 H LYS A 85 8.731 1.506 8.299 1.00 0.24 H new ATOM 0 HA LYS A 85 8.039 -1.180 7.278 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.336 0.712 8.940 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.898 -0.905 8.424 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.776 -1.823 9.802 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.134 -0.201 10.359 1.00 0.37 H new ATOM 0 HD2 LYS A 85 5.685 -0.067 11.130 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.586 -1.788 10.816 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.535 -0.443 12.729 1.00 0.78 H new ATOM 0 HE3 LYS A 85 6.088 -1.316 13.193 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 7.672 -2.918 13.435 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 7.202 -3.228 11.833 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 8.626 -2.358 12.147 1.00 1.63 H new ATOM 1270 N LEU A 86 6.859 -0.233 5.319 1.00 0.22 N ATOM 1271 CA LEU A 86 6.163 0.286 4.159 1.00 0.22 C ATOM 1272 C LEU A 86 4.816 -0.403 4.018 1.00 0.22 C ATOM 1273 O LEU A 86 4.731 -1.625 4.074 1.00 0.27 O ATOM 1274 CB LEU A 86 6.994 0.075 2.888 1.00 0.24 C ATOM 1275 CG LEU A 86 8.342 0.802 2.857 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.081 0.490 1.565 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.145 2.302 3.008 1.00 0.28 C ATOM 0 H LEU A 86 7.178 -1.197 5.225 1.00 0.22 H new ATOM 0 HA LEU A 86 6.010 1.356 4.296 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.173 -0.993 2.764 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.405 0.401 2.031 1.00 0.24 H new ATOM 0 HG LEU A 86 8.943 0.450 3.695 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.037 1.014 1.557 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.255 -0.584 1.495 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.482 0.816 0.715 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.114 2.801 2.984 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.526 2.672 2.191 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.654 2.511 3.958 1.00 0.28 H new ATOM 1289 N LEU A 87 3.766 0.380 3.862 1.00 0.20 N ATOM 1290 CA LEU A 87 2.447 -0.173 3.621 1.00 0.21 C ATOM 1291 C LEU A 87 2.092 0.015 2.164 1.00 0.21 C ATOM 1292 O LEU A 87 2.036 1.143 1.674 1.00 0.26 O ATOM 1293 CB LEU A 87 1.392 0.500 4.492 1.00 0.27 C ATOM 1294 CG LEU A 87 -0.011 -0.084 4.339 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.127 -1.393 5.099 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.060 0.904 4.802 1.00 0.45 C ATOM 0 H LEU A 87 3.800 1.399 3.898 1.00 0.20 H new ATOM 0 HA LEU A 87 2.467 -1.233 3.875 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.695 0.421 5.536 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.360 1.562 4.249 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.185 -0.285 3.282 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.133 -1.795 4.979 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.598 -2.106 4.708 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.070 -1.218 6.157 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.051 0.465 4.683 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.894 1.146 5.852 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.992 1.813 4.205 1.00 0.45 H new ATOM 1308 N VAL A 88 1.871 -1.084 1.470 1.00 0.20 N ATOM 1309 CA VAL A 88 1.602 -1.033 0.047 1.00 0.23 C ATOM 1310 C VAL A 88 0.362 -1.842 -0.320 1.00 0.24 C ATOM 1311 O VAL A 88 -0.147 -2.626 0.488 1.00 0.27 O ATOM 1312 CB VAL A 88 2.806 -1.539 -0.769 1.00 0.28 C ATOM 1313 CG1 VAL A 88 3.992 -0.600 -0.628 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.196 -2.947 -0.347 1.00 0.33 C ATOM 0 H VAL A 88 1.872 -2.023 1.868 1.00 0.20 H new ATOM 0 HA VAL A 88 1.421 0.013 -0.200 1.00 0.23 H new ATOM 0 HB VAL A 88 2.509 -1.563 -1.817 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.829 -0.980 -1.214 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.717 0.391 -0.989 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.283 -0.536 0.421 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.049 -3.281 -0.938 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.464 -2.949 0.710 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.355 -3.622 -0.509 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.127 -1.621 -1.536 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.297 -2.322 -2.054 1.00 0.27 C ATOM 1326 C VAL A 89 -1.062 -2.761 -3.497 1.00 0.34 C ATOM 1327 O VAL A 89 -0.192 -2.217 -4.180 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.564 -1.437 -2.007 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.984 -1.167 -0.569 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.342 -0.125 -2.753 1.00 0.30 C ATOM 0 H VAL A 89 0.277 -0.951 -2.190 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.452 -3.193 -1.417 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.368 -1.980 -2.503 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.877 -0.543 -0.562 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.198 -2.112 -0.069 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.178 -0.653 -0.045 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.248 0.479 -2.705 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.518 0.420 -2.293 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -2.101 -0.335 -3.795 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.846 -3.739 -3.948 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.750 -4.248 -5.317 1.00 0.51 C ATOM 1342 C ASP A 90 -2.419 -3.288 -6.288 1.00 0.48 C ATOM 1343 O ASP A 90 -3.043 -2.317 -5.864 1.00 0.45 O ATOM 1344 CB ASP A 90 -2.441 -5.610 -5.444 1.00 0.68 C ATOM 1345 CG ASP A 90 -2.149 -6.535 -4.287 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -2.853 -6.462 -3.266 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -1.212 -7.352 -4.401 1.00 1.86 O ATOM 0 H ASP A 90 -2.560 -4.198 -3.382 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.691 -4.348 -5.554 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -3.518 -5.458 -5.517 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -2.123 -6.087 -6.371 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.331 -3.576 -7.580 1.00 0.57 N ATOM 1353 CA ARG A 91 -2.974 -2.741 -8.591 1.00 0.61 C ATOM 1354 C ARG A 91 -4.492 -2.726 -8.397 1.00 0.55 C ATOM 1355 O ARG A 91 -5.120 -1.666 -8.396 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.632 -3.239 -9.998 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.342 -2.477 -11.109 1.00 0.82 C ATOM 1358 CD ARG A 91 -2.971 -3.011 -12.483 1.00 1.44 C ATOM 1359 NE ARG A 91 -1.566 -2.762 -12.812 1.00 2.25 N ATOM 1360 CZ ARG A 91 -0.849 -3.513 -13.650 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -1.380 -4.595 -14.206 1.00 3.39 N ATOM 1362 NH2 ARG A 91 0.404 -3.178 -13.933 1.00 4.16 N ATOM 0 H ARG A 91 -1.823 -4.378 -7.954 1.00 0.57 H new ATOM 0 HA ARG A 91 -2.598 -1.724 -8.477 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.555 -3.163 -10.149 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -2.890 -4.295 -10.072 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.420 -2.551 -10.969 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.084 -1.420 -11.048 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -3.167 -4.083 -12.519 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.607 -2.545 -13.236 1.00 1.44 H new ATOM 0 HE ARG A 91 -1.107 -1.964 -12.373 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -2.343 -4.857 -13.994 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -0.826 -5.164 -14.846 1.00 3.39 H new ATOM 0 HH21 ARG A 91 0.818 -2.347 -13.510 1.00 4.16 H new ATOM 0 HH22 ARG A 91 0.953 -3.751 -14.573 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.070 -3.908 -8.212 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.514 -4.033 -8.057 1.00 0.61 C ATOM 1378 C GLU A 92 -6.942 -3.503 -6.694 1.00 0.51 C ATOM 1379 O GLU A 92 -8.004 -2.896 -6.553 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.939 -5.495 -8.223 1.00 0.74 C ATOM 1381 CG GLU A 92 -8.445 -5.697 -8.255 1.00 1.44 C ATOM 1382 CD GLU A 92 -8.833 -7.125 -8.579 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -8.772 -7.985 -7.673 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -9.193 -7.401 -9.740 1.00 2.68 O ATOM 0 H GLU A 92 -4.562 -4.791 -8.166 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.005 -3.441 -8.829 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -6.510 -5.886 -9.146 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -6.521 -6.080 -7.404 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -8.866 -5.420 -7.288 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.882 -5.028 -8.996 1.00 1.44 H new ATOM 1391 N THR A 93 -6.098 -3.727 -5.698 1.00 0.44 N ATOM 1392 CA THR A 93 -6.346 -3.244 -4.349 1.00 0.38 C ATOM 1393 C THR A 93 -6.314 -1.715 -4.305 1.00 0.33 C ATOM 1394 O THR A 93 -7.148 -1.085 -3.652 1.00 0.37 O ATOM 1395 CB THR A 93 -5.302 -3.819 -3.378 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.242 -5.242 -3.545 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.645 -3.486 -1.934 1.00 0.36 C ATOM 0 H THR A 93 -5.226 -4.246 -5.802 1.00 0.44 H new ATOM 0 HA THR A 93 -7.338 -3.578 -4.044 1.00 0.38 H new ATOM 0 HB THR A 93 -4.334 -3.371 -3.604 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.356 -5.565 -3.279 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.887 -3.907 -1.274 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.676 -2.404 -1.808 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.619 -3.908 -1.685 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.353 -1.129 -5.017 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.249 0.324 -5.138 1.00 0.39 C ATOM 1407 C ASP A 94 -6.526 0.894 -5.740 1.00 0.43 C ATOM 1408 O ASP A 94 -7.124 1.824 -5.198 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.039 0.685 -6.014 1.00 0.48 C ATOM 1410 CG ASP A 94 -3.942 2.164 -6.337 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -3.496 2.939 -5.469 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -4.298 2.552 -7.470 1.00 1.18 O ATOM 0 H ASP A 94 -4.631 -1.642 -5.522 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.111 0.756 -4.147 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.127 0.372 -5.506 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.094 0.121 -6.945 1.00 0.48 H new ATOM 1417 N GLU A 95 -6.967 0.287 -6.834 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.202 0.690 -7.493 1.00 0.49 C ATOM 1419 C GLU A 95 -9.403 0.501 -6.572 1.00 0.45 C ATOM 1420 O GLU A 95 -10.312 1.328 -6.557 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.398 -0.106 -8.785 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.534 0.381 -9.936 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.985 1.730 -10.461 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -7.534 2.769 -9.932 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -8.797 1.759 -11.409 1.00 1.23 O ATOM 0 H GLU A 95 -6.485 -0.490 -7.286 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.124 1.750 -7.737 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.175 -1.155 -8.593 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.446 -0.052 -9.080 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.497 0.450 -9.606 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.563 -0.350 -10.744 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.393 -0.582 -5.802 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.491 -0.900 -4.895 1.00 0.41 C ATOM 1434 C PHE A 96 -10.638 0.161 -3.811 1.00 0.36 C ATOM 1435 O PHE A 96 -11.727 0.669 -3.576 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.262 -2.272 -4.254 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.264 -2.634 -3.192 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.565 -2.968 -3.535 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -10.908 -2.632 -1.853 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.490 -3.294 -2.562 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -11.829 -2.957 -0.877 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.109 -3.318 -1.229 1.00 0.72 C ATOM 0 H PHE A 96 -8.630 -1.259 -5.788 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.413 -0.921 -5.477 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.286 -3.033 -5.034 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.263 -2.294 -3.818 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.859 -2.973 -4.574 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -9.899 -2.373 -1.569 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.507 -3.529 -2.839 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -11.544 -2.928 0.164 1.00 0.62 H new ATOM 0 HZ PHE A 96 -13.815 -3.619 -0.469 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.535 0.505 -3.170 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.553 1.505 -2.112 1.00 0.32 C ATOM 1454 C PHE A 97 -9.907 2.885 -2.662 1.00 0.39 C ATOM 1455 O PHE A 97 -10.636 3.645 -2.027 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.208 1.536 -1.388 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.114 0.543 -0.259 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -7.686 -0.753 -0.500 1.00 0.37 C ATOM 1459 CD2 PHE A 97 -8.451 0.898 1.039 1.00 0.38 C ATOM 1460 CE1 PHE A 97 -7.590 -1.671 0.526 1.00 0.40 C ATOM 1461 CE2 PHE A 97 -8.357 -0.019 2.071 1.00 0.41 C ATOM 1462 CZ PHE A 97 -7.951 -1.276 1.839 1.00 0.35 C ATOM 0 H PHE A 97 -8.615 0.108 -3.362 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.326 1.228 -1.395 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.413 1.335 -2.106 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.038 2.539 -0.996 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -7.424 -1.049 -1.505 1.00 0.37 H new ATOM 0 HD2 PHE A 97 -8.791 1.902 1.247 1.00 0.38 H new ATOM 0 HE1 PHE A 97 -7.245 -2.676 0.332 1.00 0.40 H new ATOM 0 HE2 PHE A 97 -8.614 0.281 3.076 1.00 0.41 H new ATOM 0 HZ PHE A 97 -7.899 -1.986 2.651 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.403 3.195 -3.847 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.706 4.462 -4.497 1.00 0.53 C ATOM 1474 C LYS A 98 -11.175 4.551 -4.893 1.00 0.56 C ATOM 1475 O LYS A 98 -11.814 5.583 -4.694 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.809 4.646 -5.714 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.403 5.098 -5.350 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.367 4.558 -6.317 1.00 1.13 C ATOM 1479 CE LYS A 98 -6.528 5.119 -7.715 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.757 4.322 -8.702 1.00 1.92 N ATOM 0 H LYS A 98 -8.781 2.586 -4.379 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.512 5.265 -3.786 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -8.752 3.706 -6.263 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.259 5.379 -6.383 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.362 6.187 -5.345 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.165 4.765 -4.340 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -5.370 4.796 -5.946 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -6.442 3.471 -6.355 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -7.583 5.122 -7.990 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -6.190 6.155 -7.736 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -5.512 4.921 -9.516 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -4.886 3.968 -8.258 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -6.333 3.518 -9.025 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.716 3.472 -5.451 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.129 3.443 -5.819 1.00 0.63 C ATOM 1496 C LYS A 99 -14.011 3.370 -4.570 1.00 0.63 C ATOM 1497 O LYS A 99 -15.222 3.571 -4.638 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.454 2.278 -6.762 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.389 0.906 -6.112 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.043 -0.147 -6.988 1.00 0.76 C ATOM 1501 CE LYS A 99 -14.205 -1.465 -6.254 1.00 1.62 C ATOM 1502 NZ LYS A 99 -14.885 -2.484 -7.094 1.00 2.04 N ATOM 0 H LYS A 99 -11.204 2.614 -5.657 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.340 4.370 -6.352 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.454 2.426 -7.171 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -12.759 2.302 -7.602 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.349 0.636 -5.929 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -13.886 0.936 -5.142 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -15.019 0.209 -7.317 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.441 -0.301 -7.884 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -13.225 -1.837 -5.954 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -14.779 -1.305 -5.341 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -14.977 -3.370 -6.558 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.830 -2.140 -7.360 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -14.325 -2.656 -7.953 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.403 3.046 -3.440 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.096 3.068 -2.160 1.00 0.60 C ATOM 1518 C CYS A 100 -13.875 4.404 -1.453 1.00 0.61 C ATOM 1519 O CYS A 100 -14.479 4.686 -0.419 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.621 1.904 -1.288 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.297 0.302 -1.780 1.00 1.39 S ATOM 0 H CYS A 100 -12.425 2.763 -3.383 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.166 2.955 -2.336 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -12.533 1.855 -1.324 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.897 2.102 -0.252 1.00 0.60 H new ATOM 0 HG CYS A 100 -13.549 -0.218 -2.707 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.009 5.227 -2.053 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.690 6.568 -1.555 1.00 0.65 C ATOM 1529 C ARG A 101 -12.152 6.520 -0.132 1.00 0.64 C ATOM 1530 O ARG A 101 -12.397 7.422 0.669 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.902 7.508 -1.648 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.238 7.926 -3.074 1.00 0.79 C ATOM 1533 CD ARG A 101 -14.865 6.787 -3.858 1.00 1.19 C ATOM 1534 NE ARG A 101 -14.652 6.919 -5.295 1.00 2.14 N ATOM 1535 CZ ARG A 101 -15.441 6.374 -6.220 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -16.544 5.728 -5.860 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -15.125 6.475 -7.502 1.00 4.09 N ATOM 0 H ARG A 101 -12.506 4.979 -2.905 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.906 6.970 -2.197 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.769 7.015 -1.208 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.707 8.400 -1.053 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.922 8.774 -3.053 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.332 8.260 -3.579 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -14.446 5.840 -3.517 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -15.935 6.754 -3.653 1.00 1.19 H new ATOM 0 HE ARG A 101 -13.849 7.462 -5.611 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -16.789 5.648 -4.873 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -17.146 5.312 -6.570 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -14.278 6.970 -7.781 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -15.729 6.058 -8.210 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.400 5.473 0.164 1.00 0.55 N ATOM 1552 CA VAL A 102 -10.826 5.293 1.485 1.00 0.57 C ATOM 1553 C VAL A 102 -9.344 4.940 1.362 1.00 0.49 C ATOM 1554 O VAL A 102 -8.924 4.301 0.396 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.578 4.193 2.270 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.474 2.857 1.554 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.063 4.081 3.699 1.00 1.42 C ATOM 0 H VAL A 102 -11.172 4.731 -0.498 1.00 0.55 H new ATOM 0 HA VAL A 102 -10.926 6.228 2.037 1.00 0.57 H new ATOM 0 HB VAL A 102 -12.629 4.477 2.318 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.010 2.097 2.123 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -11.912 2.942 0.560 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.426 2.572 1.465 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -11.612 3.299 4.223 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.002 3.832 3.685 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.206 5.032 4.213 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.556 5.377 2.327 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.124 5.141 2.308 1.00 0.50 C ATOM 1569 C ILE A 103 -6.774 3.809 2.965 1.00 0.43 C ATOM 1570 O ILE A 103 -7.276 3.484 4.045 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.373 6.292 3.016 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -6.520 7.588 2.215 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -4.903 5.950 3.217 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -5.996 7.487 0.796 1.00 1.33 C ATOM 0 H ILE A 103 -8.886 5.900 3.138 1.00 0.54 H new ATOM 0 HA ILE A 103 -6.810 5.101 1.265 1.00 0.50 H new ATOM 0 HB ILE A 103 -6.818 6.434 4.001 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -7.573 7.870 2.186 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -5.990 8.388 2.733 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -4.402 6.779 3.717 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -4.819 5.052 3.829 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.435 5.774 2.249 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -6.133 8.442 0.289 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -4.935 7.236 0.817 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -6.542 6.710 0.261 1.00 1.33 H new ATOM 1586 N PRO A 104 -5.932 3.000 2.299 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.407 1.766 2.876 1.00 0.37 C ATOM 1588 C PRO A 104 -4.513 2.074 4.065 1.00 0.37 C ATOM 1589 O PRO A 104 -3.707 2.998 4.018 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.594 1.133 1.738 1.00 0.41 C ATOM 1591 CG PRO A 104 -5.012 1.854 0.500 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.430 3.226 0.939 1.00 0.44 C ATOM 0 HA PRO A 104 -6.194 1.107 3.243 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.524 1.242 1.913 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -4.797 0.065 1.658 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.192 1.907 -0.216 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.834 1.336 0.006 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.594 3.925 0.929 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.200 3.641 0.288 1.00 0.44 H new ATOM 1600 N SER A 105 -4.653 1.304 5.128 1.00 0.32 N ATOM 1601 CA SER A 105 -3.972 1.621 6.369 1.00 0.34 C ATOM 1602 C SER A 105 -3.714 0.374 7.199 1.00 0.34 C ATOM 1603 O SER A 105 -4.178 -0.718 6.850 1.00 0.33 O ATOM 1604 CB SER A 105 -4.825 2.605 7.165 1.00 0.43 C ATOM 1605 OG SER A 105 -6.156 2.119 7.292 1.00 1.42 O ATOM 0 H SER A 105 -5.227 0.461 5.158 1.00 0.32 H new ATOM 0 HA SER A 105 -3.005 2.065 6.130 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.391 2.756 8.153 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.831 3.575 6.668 1.00 0.43 H new ATOM 0 HG SER A 105 -6.411 1.645 6.473 1.00 1.42 H new ATOM 1611 N GLN A 106 -2.989 0.546 8.300 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.758 -0.529 9.258 1.00 0.43 C ATOM 1613 C GLN A 106 -4.087 -1.039 9.813 1.00 0.45 C ATOM 1614 O GLN A 106 -4.218 -2.207 10.177 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.844 -0.055 10.387 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.439 0.285 9.916 1.00 0.68 C ATOM 1617 CD GLN A 106 0.450 0.747 11.047 1.00 0.96 C ATOM 1618 OE1 GLN A 106 -0.014 1.350 12.012 1.00 1.66 O ATOM 1619 NE2 GLN A 106 1.737 0.465 10.938 1.00 1.42 N ATOM 0 H GLN A 106 -2.547 1.430 8.552 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.262 -1.352 8.744 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.285 0.823 10.858 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.787 -0.831 11.150 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.005 -0.591 9.443 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.492 1.065 9.157 1.00 0.68 H new ATOM 0 HE21 GLN A 106 2.081 -0.038 10.120 1.00 1.42 H new ATOM 0 HE22 GLN A 106 2.385 0.750 11.672 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.073 -0.152 9.846 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.423 -0.499 10.275 1.00 0.51 C ATOM 1630 C GLU A 107 -6.976 -1.642 9.424 1.00 0.42 C ATOM 1631 O GLU A 107 -7.591 -2.578 9.931 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.333 0.723 10.122 1.00 0.59 C ATOM 1633 CG GLU A 107 -8.794 0.441 10.415 1.00 1.41 C ATOM 1634 CD GLU A 107 -9.183 0.810 11.823 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -8.518 0.333 12.765 1.00 2.82 O ATOM 1636 OE2 GLU A 107 -10.167 1.553 11.992 1.00 2.63 O ATOM 0 H GLU A 107 -4.961 0.826 9.577 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.390 -0.815 11.318 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -6.984 1.510 10.790 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.244 1.105 9.105 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -9.416 0.996 9.713 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -8.996 -0.618 10.251 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.714 -1.567 8.129 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.250 -2.524 7.174 1.00 0.37 C ATOM 1645 C HIS A 108 -6.461 -3.828 7.191 1.00 0.46 C ATOM 1646 O HIS A 108 -6.900 -4.828 6.631 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.276 -1.912 5.773 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.266 -0.794 5.646 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.931 0.539 5.756 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.601 -0.825 5.436 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.014 1.275 5.609 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.049 0.473 5.420 1.00 0.52 N ATOM 0 H HIS A 108 -6.127 -0.845 7.712 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.273 -2.763 7.466 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.282 -1.541 5.525 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.516 -2.688 5.047 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.206 -1.710 5.305 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.051 2.354 5.638 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.016 0.769 5.285 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.285 -3.802 7.813 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.461 -5.002 7.941 1.00 0.70 C ATOM 1663 C LEU A 109 -5.179 -6.071 8.758 1.00 0.79 C ATOM 1664 O LEU A 109 -5.053 -7.266 8.484 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.125 -4.674 8.615 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.210 -3.725 7.845 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -0.971 -3.409 8.665 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.824 -4.329 6.507 1.00 0.67 C ATOM 0 H LEU A 109 -4.882 -2.966 8.235 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.277 -5.381 6.936 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.330 -4.238 9.593 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.588 -5.607 8.788 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.749 -2.796 7.659 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.327 -2.731 8.105 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.266 -2.937 9.602 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.430 -4.331 8.877 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.172 -3.639 5.971 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.300 -5.271 6.670 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.722 -4.511 5.917 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.931 -5.635 9.761 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.601 -6.558 10.668 1.00 1.67 C ATOM 1682 C ASN A 110 -8.112 -6.394 10.596 1.00 1.44 C ATOM 1683 O ASN A 110 -8.859 -7.374 10.671 1.00 1.77 O ATOM 1684 CB ASN A 110 -6.144 -6.323 12.112 1.00 2.17 C ATOM 1685 CG ASN A 110 -4.644 -6.441 12.306 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -3.968 -7.210 11.622 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -4.115 -5.678 13.250 1.00 3.35 N ATOM 0 H ASN A 110 -6.092 -4.649 9.967 1.00 1.37 H new ATOM 0 HA ASN A 110 -6.335 -7.569 10.360 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -6.465 -5.330 12.428 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -6.643 -7.041 12.763 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -3.112 -5.714 13.433 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -4.710 -5.054 13.795 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.558 -5.152 10.451 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.973 -4.853 10.507 1.00 1.12 C ATOM 1696 C GLY A 111 -10.701 -5.125 9.204 1.00 0.87 C ATOM 1697 O GLY A 111 -10.169 -5.786 8.312 1.00 0.93 O ATOM 0 H GLY A 111 -7.958 -4.342 10.295 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -10.430 -5.445 11.300 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -10.104 -3.805 10.776 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.935 -4.622 9.077 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.782 -4.850 7.912 1.00 0.93 C ATOM 1703 C PRO A 112 -12.453 -3.912 6.754 1.00 0.89 C ATOM 1704 O PRO A 112 -12.212 -2.716 6.949 1.00 1.31 O ATOM 1705 CB PRO A 112 -14.202 -4.565 8.435 1.00 1.25 C ATOM 1706 CG PRO A 112 -14.053 -4.162 9.872 1.00 1.30 C ATOM 1707 CD PRO A 112 -12.615 -3.784 10.066 1.00 1.10 C ATOM 0 HA PRO A 112 -12.650 -5.856 7.513 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.677 -3.772 7.857 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -14.834 -5.448 8.343 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -14.709 -3.324 10.109 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -14.331 -4.982 10.535 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -12.446 -2.723 9.885 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -12.273 -3.993 11.080 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.414 -4.471 5.551 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.288 -3.697 4.340 1.00 0.58 C ATOM 1717 C LEU A 113 -13.507 -2.787 4.174 1.00 0.69 C ATOM 1718 O LEU A 113 -14.576 -3.077 4.708 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.149 -4.656 3.154 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.847 -5.466 3.105 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -9.642 -4.544 3.015 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -10.702 -6.419 4.288 1.00 1.05 C ATOM 0 H LEU A 113 -12.470 -5.478 5.396 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.403 -3.063 4.389 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -12.988 -5.352 3.172 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.232 -4.080 2.232 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.894 -6.080 2.205 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -8.730 -5.140 2.981 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -9.714 -3.939 2.111 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -9.617 -3.891 3.888 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -9.763 -6.966 4.202 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.706 -5.849 5.217 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -11.534 -7.124 4.292 1.00 1.05 H new