USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 898 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 72 LYS NZ :NH3+ -113:sc= 0.0283 (180deg=0) USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0.0304 USER MOD Set 2.1: A 77 ASN : amide:sc= -0.831! C(o=-0.57!,f=-9.1!) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 156:sc= 0.261 (180deg=0.0797) USER MOD Set 3.1: A 25 THR OG1 : rot 170:sc= 1.33 USER MOD Set 3.2: A 117 TYR OH : rot 15:sc= 1.07 USER MOD Set 4.1: A 7 THR OG1 : rot -71:sc= 1.34 USER MOD Set 4.2: A 9 THR OG1 : rot 126:sc= 1.29 USER MOD Set 5.1: A 4 LYS NZ :NH3+ 162:sc= 0.79 (180deg=0) USER MOD Set 5.2: A 6 TYR OH : rot 15:sc= 1.9 USER MOD Single : A 3 MET CE :methyl -178:sc=-0.00268 (180deg=-0.0115) USER MOD Single : A 5 LYS NZ :NH3+ -122:sc= 1.25 (180deg=-0.311) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 176:sc= -0.564 USER MOD Single : A 26 ASN : amide:sc= 0.247 K(o=0.25,f=-0.39) USER MOD Single : A 27 HIS : no HD1:sc=-0.00237 X(o=-0.0024,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.278 K(o=0.28,f=-4.6!) USER MOD Single : A 31 GLN : amide:sc= -0.062 K(o=-0.062,f=-0.65) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 176:sc= 0.586 USER MOD Single : A 60 LYS NZ :NH3+ -132:sc= 1.26 (180deg=0.0184) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 82 THR OG1 : rot 16:sc= 1.23 USER MOD Single : A 88 ASN : amide:sc= 0.979 K(o=0.98,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.23) USER MOD Single : A 100 MET CE :methyl 164:sc= -1.08 (180deg=-2.68!) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.0393 X(o=-0.039,f=-0.00018) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 11.957 -2.175 -8.310 1.00 0.00 N ATOM 41 CA MET A 3 11.799 -3.437 -7.599 1.00 0.00 C ATOM 42 C MET A 3 10.335 -3.515 -7.147 1.00 0.00 C ATOM 43 O MET A 3 9.703 -2.469 -6.999 1.00 0.00 O ATOM 44 CB MET A 3 12.792 -3.436 -6.419 1.00 0.00 C ATOM 45 CG MET A 3 12.765 -4.745 -5.639 1.00 0.00 C ATOM 46 SD MET A 3 13.739 -4.814 -4.111 1.00 0.00 S ATOM 47 CE MET A 3 15.371 -4.223 -4.635 1.00 0.00 C ATOM 0 HA MET A 3 12.016 -4.312 -8.212 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.800 -3.261 -6.795 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.554 -2.611 -5.748 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.728 -4.969 -5.390 1.00 0.00 H new ATOM 0 HG3 MET A 3 13.113 -5.540 -6.299 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.059 -4.256 -3.790 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.749 -4.859 -5.436 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.288 -3.197 -4.995 1.00 0.00 H new ATOM 57 N LYS A 4 9.775 -4.701 -6.873 1.00 0.00 N ATOM 58 CA LYS A 4 8.459 -4.797 -6.233 1.00 0.00 C ATOM 59 C LYS A 4 8.475 -5.850 -5.134 1.00 0.00 C ATOM 60 O LYS A 4 8.664 -7.028 -5.444 1.00 0.00 O ATOM 61 CB LYS A 4 7.349 -4.989 -7.291 1.00 0.00 C ATOM 62 CG LYS A 4 5.916 -5.062 -6.716 1.00 0.00 C ATOM 63 CD LYS A 4 5.353 -6.485 -6.588 1.00 0.00 C ATOM 64 CE LYS A 4 4.858 -7.045 -7.933 1.00 0.00 C ATOM 65 NZ LYS A 4 3.413 -6.812 -8.162 1.00 0.00 N ATOM 0 H LYS A 4 10.210 -5.600 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 4 8.222 -3.858 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.399 -4.166 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.550 -5.905 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.908 -4.592 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.252 -4.478 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.124 -7.143 -6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.530 -6.484 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.427 -6.587 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.058 -8.116 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.199 -6.924 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.859 -7.500 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.165 -5.848 -7.861 1.00 0.00 H new ATOM 79 N LYS A 5 8.323 -5.455 -3.862 1.00 0.00 N ATOM 80 CA LYS A 5 8.065 -6.404 -2.766 1.00 0.00 C ATOM 81 C LYS A 5 6.635 -6.310 -2.217 1.00 0.00 C ATOM 82 O LYS A 5 5.857 -5.458 -2.647 1.00 0.00 O ATOM 83 CB LYS A 5 9.158 -6.337 -1.672 1.00 0.00 C ATOM 84 CG LYS A 5 10.280 -7.382 -1.862 1.00 0.00 C ATOM 85 CD LYS A 5 11.505 -6.886 -2.638 1.00 0.00 C ATOM 86 CE LYS A 5 12.307 -8.048 -3.251 1.00 0.00 C ATOM 87 NZ LYS A 5 12.774 -9.051 -2.267 1.00 0.00 N ATOM 0 H LYS A 5 8.374 -4.481 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 5 8.132 -7.404 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.597 -5.339 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.695 -6.485 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.606 -7.725 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.866 -8.247 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.183 -6.210 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.149 -6.313 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.688 -8.548 -3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.171 -7.641 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.810 -9.127 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.492 -8.756 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.349 -9.975 -2.484 1.00 0.00 H new ATOM 101 N TYR A 6 6.296 -7.222 -1.301 1.00 0.00 N ATOM 102 CA TYR A 6 5.030 -7.364 -0.571 1.00 0.00 C ATOM 103 C TYR A 6 5.271 -7.396 0.946 1.00 0.00 C ATOM 104 O TYR A 6 6.414 -7.365 1.392 1.00 0.00 O ATOM 105 CB TYR A 6 4.345 -8.665 -1.002 1.00 0.00 C ATOM 106 CG TYR A 6 3.933 -8.718 -2.451 1.00 0.00 C ATOM 107 CD1 TYR A 6 4.843 -9.181 -3.418 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.638 -8.326 -2.827 1.00 0.00 C ATOM 109 CE1 TYR A 6 4.455 -9.261 -4.761 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.235 -8.429 -4.168 1.00 0.00 C ATOM 111 CZ TYR A 6 3.133 -8.915 -5.141 1.00 0.00 C ATOM 112 OH TYR A 6 2.720 -8.998 -6.438 1.00 0.00 O ATOM 0 H TYR A 6 6.960 -7.946 -1.026 1.00 0.00 H new ATOM 0 HA TYR A 6 4.397 -6.508 -0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.020 -9.497 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.461 -8.815 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.840 -9.475 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.952 -7.945 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.163 -9.587 -5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.236 -8.136 -4.455 1.00 0.00 H new ATOM 0 HH TYR A 6 3.362 -9.531 -6.952 1.00 0.00 H new ATOM 122 N THR A 7 4.218 -7.501 1.761 1.00 0.00 N ATOM 123 CA THR A 7 4.239 -7.420 3.214 1.00 0.00 C ATOM 124 C THR A 7 3.287 -8.474 3.792 1.00 0.00 C ATOM 125 O THR A 7 2.423 -9.008 3.090 1.00 0.00 O ATOM 126 CB THR A 7 3.732 -6.032 3.637 1.00 0.00 C ATOM 127 OG1 THR A 7 2.473 -5.830 3.035 1.00 0.00 O ATOM 128 CG2 THR A 7 4.652 -4.873 3.260 1.00 0.00 C ATOM 0 H THR A 7 3.277 -7.653 1.398 1.00 0.00 H new ATOM 0 HA THR A 7 5.253 -7.588 3.578 1.00 0.00 H new ATOM 0 HB THR A 7 3.687 -6.031 4.726 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.589 -5.699 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.213 -3.935 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.624 -5.011 3.734 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.777 -4.845 2.178 1.00 0.00 H new ATOM 136 N LYS A 8 3.389 -8.711 5.100 1.00 0.00 N ATOM 137 CA LYS A 8 2.412 -9.502 5.851 1.00 0.00 C ATOM 138 C LYS A 8 1.122 -8.719 6.144 1.00 0.00 C ATOM 139 O LYS A 8 0.135 -9.312 6.569 1.00 0.00 O ATOM 140 CB LYS A 8 3.044 -10.107 7.126 1.00 0.00 C ATOM 141 CG LYS A 8 4.116 -11.150 6.761 1.00 0.00 C ATOM 142 CD LYS A 8 4.505 -12.134 7.873 1.00 0.00 C ATOM 143 CE LYS A 8 5.736 -11.683 8.657 1.00 0.00 C ATOM 144 NZ LYS A 8 6.429 -12.835 9.266 1.00 0.00 N ATOM 0 H LYS A 8 4.156 -8.358 5.672 1.00 0.00 H new ATOM 0 HA LYS A 8 2.112 -10.335 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.490 -9.315 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.270 -10.572 7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.760 -11.723 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.014 -10.622 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.666 -12.251 8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.697 -13.113 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.419 -11.153 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.438 -10.981 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.261 -12.501 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.782 -13.325 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.733 -13.492 8.519 1.00 0.00 H new ATOM 158 N THR A 9 1.059 -7.417 5.860 1.00 0.00 N ATOM 159 CA THR A 9 -0.110 -6.574 6.110 1.00 0.00 C ATOM 160 C THR A 9 -1.021 -6.460 4.871 1.00 0.00 C ATOM 161 O THR A 9 -1.866 -5.566 4.787 1.00 0.00 O ATOM 162 CB THR A 9 0.387 -5.224 6.647 1.00 0.00 C ATOM 163 OG1 THR A 9 1.319 -4.640 5.760 1.00 0.00 O ATOM 164 CG2 THR A 9 1.091 -5.384 8.005 1.00 0.00 C ATOM 0 H THR A 9 1.837 -6.908 5.440 1.00 0.00 H new ATOM 0 HA THR A 9 -0.752 -7.029 6.864 1.00 0.00 H new ATOM 0 HB THR A 9 -0.494 -4.591 6.752 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.030 -3.732 5.533 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.430 -4.409 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.394 -5.808 8.728 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.948 -6.048 7.894 1.00 0.00 H new ATOM 172 N HIS A 10 -0.886 -7.393 3.918 1.00 0.00 N ATOM 173 CA HIS A 10 -1.612 -7.445 2.646 1.00 0.00 C ATOM 174 C HIS A 10 -1.385 -6.172 1.813 1.00 0.00 C ATOM 175 O HIS A 10 -2.318 -5.638 1.220 1.00 0.00 O ATOM 176 CB HIS A 10 -3.116 -7.779 2.820 1.00 0.00 C ATOM 177 CG HIS A 10 -3.543 -8.570 4.035 1.00 0.00 C ATOM 178 ND1 HIS A 10 -3.733 -9.938 4.093 1.00 0.00 N ATOM 179 CD2 HIS A 10 -3.976 -8.032 5.218 1.00 0.00 C ATOM 180 CE1 HIS A 10 -4.260 -10.224 5.298 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.407 -9.084 6.001 1.00 0.00 N ATOM 0 H HIS A 10 -0.234 -8.170 4.021 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.191 -8.278 2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.666 -6.838 2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.438 -8.330 1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.980 -6.986 5.486 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.524 -11.212 5.647 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.774 -9.011 6.950 1.00 0.00 H new ATOM 190 N GLU A 11 -0.149 -5.682 1.720 1.00 0.00 N ATOM 191 CA GLU A 11 0.228 -4.544 0.876 1.00 0.00 C ATOM 192 C GLU A 11 1.350 -4.951 -0.074 1.00 0.00 C ATOM 193 O GLU A 11 2.202 -5.782 0.268 1.00 0.00 O ATOM 194 CB GLU A 11 0.683 -3.341 1.717 1.00 0.00 C ATOM 195 CG GLU A 11 -0.405 -2.742 2.611 1.00 0.00 C ATOM 196 CD GLU A 11 0.241 -2.007 3.784 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.882 -0.959 3.545 1.00 0.00 O ATOM 198 OE2 GLU A 11 0.119 -2.528 4.919 1.00 0.00 O ATOM 0 H GLU A 11 0.637 -6.073 2.240 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.653 -4.248 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.521 -3.648 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.053 -2.565 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.025 -2.055 2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.061 -3.530 2.980 1.00 0.00 H new ATOM 205 N TRP A 12 1.378 -4.319 -1.247 1.00 0.00 N ATOM 206 CA TRP A 12 2.438 -4.399 -2.246 1.00 0.00 C ATOM 207 C TRP A 12 3.155 -3.049 -2.325 1.00 0.00 C ATOM 208 O TRP A 12 2.651 -2.035 -1.838 1.00 0.00 O ATOM 209 CB TRP A 12 1.839 -4.781 -3.604 1.00 0.00 C ATOM 210 CG TRP A 12 0.800 -3.828 -4.106 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.519 -3.906 -3.833 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.971 -2.601 -4.879 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.172 -2.833 -4.393 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.294 -1.954 -4.981 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.061 -1.958 -5.500 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.464 -0.716 -5.616 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.881 -0.754 -6.205 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.630 -0.129 -6.263 1.00 0.00 C ATOM 0 H TRP A 12 0.619 -3.704 -1.540 1.00 0.00 H new ATOM 0 HA TRP A 12 3.161 -5.165 -1.964 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.642 -4.845 -4.338 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.398 -5.775 -3.527 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.990 -4.692 -3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.184 -2.705 -4.374 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.046 -2.395 -5.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.425 -0.222 -5.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.723 -0.304 -6.710 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.510 0.799 -6.803 1.00 0.00 H new ATOM 229 N VAL A 13 4.344 -3.043 -2.931 1.00 0.00 N ATOM 230 CA VAL A 13 5.275 -1.929 -2.884 1.00 0.00 C ATOM 231 C VAL A 13 5.958 -1.845 -4.252 1.00 0.00 C ATOM 232 O VAL A 13 6.833 -2.657 -4.531 1.00 0.00 O ATOM 233 CB VAL A 13 6.303 -2.147 -1.740 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.894 -0.802 -1.329 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.739 -2.842 -0.482 1.00 0.00 C ATOM 0 H VAL A 13 4.688 -3.832 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 13 4.761 -0.991 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 13 7.056 -2.820 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.616 -0.952 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.392 -0.347 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.097 -0.145 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.530 -2.950 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.931 -2.241 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.357 -3.827 -0.751 1.00 0.00 H new ATOM 245 N SER A 14 5.548 -0.938 -5.138 1.00 0.00 N ATOM 246 CA SER A 14 6.234 -0.675 -6.407 1.00 0.00 C ATOM 247 C SER A 14 7.355 0.321 -6.178 1.00 0.00 C ATOM 248 O SER A 14 7.091 1.511 -6.215 1.00 0.00 O ATOM 249 CB SER A 14 5.288 -0.008 -7.404 1.00 0.00 C ATOM 250 OG SER A 14 4.657 -0.957 -8.248 1.00 0.00 O ATOM 0 H SER A 14 4.721 -0.358 -4.995 1.00 0.00 H new ATOM 0 HA SER A 14 6.598 -1.630 -6.787 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.530 0.558 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.845 0.705 -8.012 1.00 0.00 H new ATOM 0 HG SER A 14 4.059 -0.494 -8.871 1.00 0.00 H new ATOM 256 N ILE A 15 8.589 -0.111 -5.967 1.00 0.00 N ATOM 257 CA ILE A 15 9.732 0.790 -5.966 1.00 0.00 C ATOM 258 C ILE A 15 10.026 1.176 -7.418 1.00 0.00 C ATOM 259 O ILE A 15 9.928 0.347 -8.331 1.00 0.00 O ATOM 260 CB ILE A 15 10.929 0.143 -5.241 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.540 -0.202 -3.785 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.150 1.082 -5.254 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.054 -1.642 -3.587 1.00 0.00 C ATOM 0 H ILE A 15 8.826 -1.088 -5.793 1.00 0.00 H new ATOM 0 HA ILE A 15 9.519 1.703 -5.410 1.00 0.00 H new ATOM 0 HB ILE A 15 11.196 -0.773 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.402 -0.030 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.756 0.482 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.982 0.604 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.436 1.293 -6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.897 2.015 -4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.802 -1.800 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.171 -1.816 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.843 -2.336 -3.879 1.00 0.00 H new ATOM 275 N GLU A 16 10.396 2.434 -7.636 1.00 0.00 N ATOM 276 CA GLU A 16 10.720 2.985 -8.942 1.00 0.00 C ATOM 277 C GLU A 16 12.161 3.497 -8.899 1.00 0.00 C ATOM 278 O GLU A 16 13.082 2.679 -8.953 1.00 0.00 O ATOM 279 CB GLU A 16 9.630 3.997 -9.336 1.00 0.00 C ATOM 280 CG GLU A 16 9.771 4.499 -10.779 1.00 0.00 C ATOM 281 CD GLU A 16 8.422 4.966 -11.347 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.672 4.126 -11.899 1.00 0.00 O ATOM 283 OE2 GLU A 16 8.077 6.167 -11.272 1.00 0.00 O ATOM 0 H GLU A 16 10.480 3.117 -6.883 1.00 0.00 H new ATOM 0 HA GLU A 16 10.707 2.249 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.651 3.534 -9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.669 4.848 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.485 5.322 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.174 3.703 -11.405 1.00 0.00 H new ATOM 290 N ASP A 17 12.368 4.807 -8.760 1.00 0.00 N ATOM 291 CA ASP A 17 13.690 5.423 -8.656 1.00 0.00 C ATOM 292 C ASP A 17 14.030 5.575 -7.168 1.00 0.00 C ATOM 293 O ASP A 17 14.756 4.753 -6.605 1.00 0.00 O ATOM 294 CB ASP A 17 13.732 6.758 -9.434 1.00 0.00 C ATOM 295 CG ASP A 17 14.328 6.655 -10.846 1.00 0.00 C ATOM 296 OD1 ASP A 17 14.171 5.612 -11.525 1.00 0.00 O ATOM 297 OD2 ASP A 17 14.945 7.646 -11.301 1.00 0.00 O ATOM 0 H ASP A 17 11.605 5.483 -8.716 1.00 0.00 H new ATOM 0 HA ASP A 17 14.452 4.794 -9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.718 7.152 -9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.313 7.480 -8.860 1.00 0.00 H new ATOM 302 N LYS A 18 13.450 6.584 -6.505 1.00 0.00 N ATOM 303 CA LYS A 18 13.617 6.872 -5.074 1.00 0.00 C ATOM 304 C LYS A 18 12.266 6.973 -4.373 1.00 0.00 C ATOM 305 O LYS A 18 12.193 7.474 -3.251 1.00 0.00 O ATOM 306 CB LYS A 18 14.427 8.171 -4.879 1.00 0.00 C ATOM 307 CG LYS A 18 15.803 8.223 -5.570 1.00 0.00 C ATOM 308 CD LYS A 18 16.790 7.155 -5.080 1.00 0.00 C ATOM 309 CE LYS A 18 17.149 7.377 -3.609 1.00 0.00 C ATOM 310 NZ LYS A 18 17.986 6.291 -3.074 1.00 0.00 N ATOM 0 H LYS A 18 12.828 7.247 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 18 14.167 6.046 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.829 9.006 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.574 8.326 -3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.663 8.107 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.241 9.208 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.353 6.165 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.694 7.184 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.676 8.326 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.235 7.453 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.206 6.482 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.474 5.389 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.870 6.234 -3.618 1.00 0.00 H new ATOM 324 N VAL A 19 11.209 6.473 -5.003 1.00 0.00 N ATOM 325 CA VAL A 19 9.859 6.451 -4.474 1.00 0.00 C ATOM 326 C VAL A 19 9.363 5.003 -4.585 1.00 0.00 C ATOM 327 O VAL A 19 9.864 4.234 -5.416 1.00 0.00 O ATOM 328 CB VAL A 19 9.025 7.506 -5.244 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.530 7.491 -4.904 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.541 8.930 -4.966 1.00 0.00 C ATOM 0 H VAL A 19 11.276 6.057 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 19 9.781 6.730 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 19 9.144 7.233 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.017 8.258 -5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.112 6.514 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.397 7.691 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.938 9.650 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.470 9.141 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.581 9.009 -5.283 1.00 0.00 H new ATOM 340 N ALA A 20 8.400 4.618 -3.744 1.00 0.00 N ATOM 341 CA ALA A 20 7.613 3.400 -3.877 1.00 0.00 C ATOM 342 C ALA A 20 6.140 3.768 -3.766 1.00 0.00 C ATOM 343 O ALA A 20 5.758 4.529 -2.872 1.00 0.00 O ATOM 344 CB ALA A 20 7.977 2.369 -2.797 1.00 0.00 C ATOM 0 H ALA A 20 8.142 5.168 -2.925 1.00 0.00 H new ATOM 0 HA ALA A 20 7.825 2.945 -4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.369 1.474 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.032 2.108 -2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.789 2.793 -1.811 1.00 0.00 H new ATOM 350 N THR A 21 5.319 3.192 -4.635 1.00 0.00 N ATOM 351 CA THR A 21 3.870 3.230 -4.511 1.00 0.00 C ATOM 352 C THR A 21 3.442 2.114 -3.563 1.00 0.00 C ATOM 353 O THR A 21 3.975 1.004 -3.643 1.00 0.00 O ATOM 354 CB THR A 21 3.226 3.062 -5.896 1.00 0.00 C ATOM 355 OG1 THR A 21 3.817 3.950 -6.815 1.00 0.00 O ATOM 356 CG2 THR A 21 1.723 3.312 -5.878 1.00 0.00 C ATOM 0 H THR A 21 5.646 2.680 -5.454 1.00 0.00 H new ATOM 0 HA THR A 21 3.542 4.188 -4.107 1.00 0.00 H new ATOM 0 HB THR A 21 3.395 2.027 -6.194 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.447 3.791 -7.708 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.320 3.180 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.245 2.606 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.527 4.330 -5.540 1.00 0.00 H new ATOM 364 N VAL A 22 2.488 2.412 -2.686 1.00 0.00 N ATOM 365 CA VAL A 22 1.845 1.496 -1.756 1.00 0.00 C ATOM 366 C VAL A 22 0.377 1.331 -2.167 1.00 0.00 C ATOM 367 O VAL A 22 -0.326 2.321 -2.397 1.00 0.00 O ATOM 368 CB VAL A 22 1.954 2.072 -0.325 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.479 1.055 0.722 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.389 2.513 0.015 1.00 0.00 C ATOM 0 H VAL A 22 2.122 3.360 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 22 2.330 0.520 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 22 1.307 2.949 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.568 1.489 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.438 0.795 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.094 0.157 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.417 2.911 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.060 1.657 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.708 3.284 -0.686 1.00 0.00 H new ATOM 380 N GLY A 23 -0.113 0.092 -2.189 1.00 0.00 N ATOM 381 CA GLY A 23 -1.533 -0.228 -2.212 1.00 0.00 C ATOM 382 C GLY A 23 -1.749 -1.538 -1.460 1.00 0.00 C ATOM 383 O GLY A 23 -0.793 -2.287 -1.218 1.00 0.00 O ATOM 0 H GLY A 23 0.484 -0.735 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.109 0.573 -1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.884 -0.320 -3.240 1.00 0.00 H new ATOM 387 N ILE A 24 -2.997 -1.843 -1.097 1.00 0.00 N ATOM 388 CA ILE A 24 -3.335 -3.169 -0.591 1.00 0.00 C ATOM 389 C ILE A 24 -3.340 -4.166 -1.749 1.00 0.00 C ATOM 390 O ILE A 24 -3.519 -3.796 -2.907 1.00 0.00 O ATOM 391 CB ILE A 24 -4.667 -3.192 0.183 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.837 -2.531 -0.571 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.448 -2.524 1.546 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.216 -3.024 -0.104 1.00 0.00 C ATOM 0 H ILE A 24 -3.782 -1.194 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.572 -3.459 0.131 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.961 -4.234 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.781 -1.450 -0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.730 -2.728 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.381 -2.531 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.686 -3.071 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.121 -1.495 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.995 -2.519 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.290 -4.100 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.342 -2.803 0.956 1.00 0.00 H new ATOM 406 N THR A 25 -3.104 -5.440 -1.460 1.00 0.00 N ATOM 407 CA THR A 25 -3.215 -6.512 -2.437 1.00 0.00 C ATOM 408 C THR A 25 -4.698 -6.826 -2.700 1.00 0.00 C ATOM 409 O THR A 25 -5.591 -6.437 -1.937 1.00 0.00 O ATOM 410 CB THR A 25 -2.426 -7.730 -1.918 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.946 -8.175 -0.684 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.941 -7.409 -1.694 1.00 0.00 C ATOM 0 H THR A 25 -2.828 -5.759 -0.532 1.00 0.00 H new ATOM 0 HA THR A 25 -2.785 -6.218 -3.395 1.00 0.00 H new ATOM 0 HB THR A 25 -2.523 -8.498 -2.685 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.538 -9.034 -0.448 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.428 -8.298 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.491 -7.092 -2.635 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.848 -6.609 -0.960 1.00 0.00 H new ATOM 420 N ASN A 26 -4.985 -7.582 -3.766 1.00 0.00 N ATOM 421 CA ASN A 26 -6.341 -8.035 -4.084 1.00 0.00 C ATOM 422 C ASN A 26 -7.002 -8.783 -2.921 1.00 0.00 C ATOM 423 O ASN A 26 -8.203 -8.666 -2.692 1.00 0.00 O ATOM 424 CB ASN A 26 -6.347 -8.873 -5.377 1.00 0.00 C ATOM 425 CG ASN A 26 -6.524 -10.369 -5.119 1.00 0.00 C ATOM 426 OD1 ASN A 26 -5.628 -11.008 -4.572 1.00 0.00 O ATOM 427 ND2 ASN A 26 -7.700 -10.905 -5.400 1.00 0.00 N ATOM 0 H ASN A 26 -4.281 -7.897 -4.433 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.946 -7.144 -4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.151 -8.524 -6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.412 -8.711 -5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.886 -11.879 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.420 -10.344 -5.855 1.00 0.00 H new ATOM 434 N HIS A 27 -6.229 -9.530 -2.146 1.00 0.00 N ATOM 435 CA HIS A 27 -6.765 -10.369 -1.081 1.00 0.00 C ATOM 436 C HIS A 27 -7.528 -9.547 -0.031 1.00 0.00 C ATOM 437 O HIS A 27 -8.466 -10.057 0.582 1.00 0.00 O ATOM 438 CB HIS A 27 -5.606 -11.163 -0.481 1.00 0.00 C ATOM 439 CG HIS A 27 -6.045 -12.227 0.481 1.00 0.00 C ATOM 440 ND1 HIS A 27 -6.408 -13.522 0.155 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.229 -12.051 1.822 1.00 0.00 C ATOM 442 CE1 HIS A 27 -6.776 -14.127 1.299 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.668 -13.257 2.318 1.00 0.00 N ATOM 0 H HIS A 27 -5.214 -9.572 -2.237 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.503 -11.061 -1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.037 -11.626 -1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.932 -10.476 0.031 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.063 -11.143 2.383 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.107 -15.152 1.385 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.877 -13.457 3.296 1.00 0.00 H new ATOM 452 N ALA A 28 -7.162 -8.275 0.150 1.00 0.00 N ATOM 453 CA ALA A 28 -7.866 -7.354 1.025 1.00 0.00 C ATOM 454 C ALA A 28 -9.213 -6.930 0.418 1.00 0.00 C ATOM 455 O ALA A 28 -10.244 -7.157 1.051 1.00 0.00 O ATOM 456 CB ALA A 28 -6.953 -6.168 1.308 1.00 0.00 C ATOM 0 H ALA A 28 -6.357 -7.858 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.108 -7.843 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.464 -5.464 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.041 -6.518 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.700 -5.672 0.371 1.00 0.00 H new ATOM 462 N GLN A 29 -9.244 -6.348 -0.797 1.00 0.00 N ATOM 463 CA GLN A 29 -10.493 -5.861 -1.417 1.00 0.00 C ATOM 464 C GLN A 29 -11.549 -6.961 -1.538 1.00 0.00 C ATOM 465 O GLN A 29 -12.741 -6.679 -1.448 1.00 0.00 O ATOM 466 CB GLN A 29 -10.249 -5.173 -2.781 1.00 0.00 C ATOM 467 CG GLN A 29 -9.546 -5.943 -3.895 1.00 0.00 C ATOM 468 CD GLN A 29 -10.424 -6.932 -4.653 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.274 -6.593 -5.461 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.207 -8.213 -4.486 1.00 0.00 N ATOM 0 H GLN A 29 -8.414 -6.203 -1.371 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.885 -5.103 -0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.218 -4.855 -3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.669 -4.269 -2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.135 -5.227 -4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.704 -6.485 -3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.503 -8.528 -3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.742 -8.895 -5.024 1.00 0.00 H new ATOM 479 N GLU A 30 -11.114 -8.220 -1.646 1.00 0.00 N ATOM 480 CA GLU A 30 -11.966 -9.397 -1.683 1.00 0.00 C ATOM 481 C GLU A 30 -12.890 -9.444 -0.467 1.00 0.00 C ATOM 482 O GLU A 30 -14.012 -9.932 -0.564 1.00 0.00 O ATOM 483 CB GLU A 30 -11.057 -10.639 -1.716 1.00 0.00 C ATOM 484 CG GLU A 30 -11.141 -11.387 -3.046 1.00 0.00 C ATOM 485 CD GLU A 30 -10.183 -12.577 -3.078 1.00 0.00 C ATOM 486 OE1 GLU A 30 -10.155 -13.373 -2.117 1.00 0.00 O ATOM 487 OE2 GLU A 30 -9.463 -12.754 -4.089 1.00 0.00 O ATOM 0 H GLU A 30 -10.122 -8.448 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.600 -9.366 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.025 -10.336 -1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.336 -11.312 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.162 -11.735 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.905 -10.706 -3.864 1.00 0.00 H new ATOM 494 N GLN A 31 -12.433 -8.934 0.676 1.00 0.00 N ATOM 495 CA GLN A 31 -13.217 -8.892 1.891 1.00 0.00 C ATOM 496 C GLN A 31 -14.033 -7.587 1.940 1.00 0.00 C ATOM 497 O GLN A 31 -15.244 -7.648 2.183 1.00 0.00 O ATOM 498 CB GLN A 31 -12.304 -9.128 3.107 1.00 0.00 C ATOM 499 CG GLN A 31 -11.444 -10.402 2.998 1.00 0.00 C ATOM 500 CD GLN A 31 -12.251 -11.642 2.612 1.00 0.00 C ATOM 501 OE1 GLN A 31 -12.044 -12.227 1.552 1.00 0.00 O ATOM 502 NE2 GLN A 31 -13.156 -12.091 3.467 1.00 0.00 N ATOM 0 H GLN A 31 -11.499 -8.537 0.777 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.951 -9.698 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.648 -8.267 3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.919 -9.191 4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.660 -10.241 2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.949 -10.581 3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.319 -11.596 4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.691 -12.932 3.249 1.00 0.00 H new ATOM 511 N LEU A 32 -13.415 -6.429 1.649 1.00 0.00 N ATOM 512 CA LEU A 32 -14.063 -5.115 1.778 1.00 0.00 C ATOM 513 C LEU A 32 -15.263 -4.947 0.860 1.00 0.00 C ATOM 514 O LEU A 32 -16.193 -4.235 1.243 1.00 0.00 O ATOM 515 CB LEU A 32 -13.111 -3.944 1.467 1.00 0.00 C ATOM 516 CG LEU A 32 -12.140 -3.634 2.621 1.00 0.00 C ATOM 517 CD1 LEU A 32 -10.678 -3.777 2.220 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.359 -2.210 3.139 1.00 0.00 C ATOM 0 H LEU A 32 -12.452 -6.379 1.318 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.377 -5.088 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.537 -4.178 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.700 -3.054 1.246 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.355 -4.366 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.042 -3.546 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.489 -4.799 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.455 -3.088 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.664 -2.009 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.187 -1.499 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.382 -2.108 3.501 1.00 0.00 H new ATOM 530 N GLY A 33 -15.218 -5.525 -0.342 1.00 0.00 N ATOM 531 CA GLY A 33 -16.197 -5.245 -1.373 1.00 0.00 C ATOM 532 C GLY A 33 -16.166 -3.767 -1.745 1.00 0.00 C ATOM 533 O GLY A 33 -15.110 -3.238 -2.100 1.00 0.00 O ATOM 0 H GLY A 33 -14.502 -6.196 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.991 -5.853 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.192 -5.518 -1.023 1.00 0.00 H new ATOM 537 N ASP A 34 -17.327 -3.109 -1.694 1.00 0.00 N ATOM 538 CA ASP A 34 -17.733 -2.021 -2.593 1.00 0.00 C ATOM 539 C ASP A 34 -17.191 -0.649 -2.283 1.00 0.00 C ATOM 540 O ASP A 34 -17.783 0.391 -2.568 1.00 0.00 O ATOM 541 CB ASP A 34 -19.278 -2.022 -2.710 1.00 0.00 C ATOM 542 CG ASP A 34 -19.743 -2.975 -3.806 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.810 -4.198 -3.557 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.003 -2.526 -4.946 1.00 0.00 O ATOM 0 H ASP A 34 -18.040 -3.327 -0.998 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.266 -2.239 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.718 -2.316 -1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.630 -1.014 -2.927 1.00 0.00 H new ATOM 549 N VAL A 35 -15.969 -0.639 -1.774 1.00 0.00 N ATOM 550 CA VAL A 35 -15.668 -0.034 -0.500 1.00 0.00 C ATOM 551 C VAL A 35 -16.685 1.025 -0.093 1.00 0.00 C ATOM 552 O VAL A 35 -17.795 0.608 0.200 1.00 0.00 O ATOM 553 CB VAL A 35 -14.180 0.225 -0.435 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.580 0.865 -1.618 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.737 0.878 0.829 1.00 0.00 C ATOM 0 H VAL A 35 -15.161 -1.053 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.828 -0.697 0.350 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.776 -0.788 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.511 1.000 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.737 0.234 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.047 1.836 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.658 1.031 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.237 1.840 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.991 0.241 1.676 1.00 0.00 H new ATOM 565 N VAL A 36 -16.333 2.312 -0.044 1.00 0.00 N ATOM 566 CA VAL A 36 -17.092 3.410 0.543 1.00 0.00 C ATOM 567 C VAL A 36 -16.176 4.635 0.680 1.00 0.00 C ATOM 568 O VAL A 36 -16.582 5.741 0.318 1.00 0.00 O ATOM 569 CB VAL A 36 -17.735 2.997 1.902 1.00 0.00 C ATOM 570 CG1 VAL A 36 -16.901 3.271 3.133 1.00 0.00 C ATOM 571 CG2 VAL A 36 -19.191 3.407 1.992 1.00 0.00 C ATOM 0 H VAL A 36 -15.450 2.632 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.922 3.669 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.740 1.907 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.444 2.945 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.959 2.726 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.698 4.339 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.597 3.099 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -19.271 4.490 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.754 2.928 1.191 1.00 0.00 H new ATOM 581 N TYR A 37 -14.952 4.429 1.194 1.00 0.00 N ATOM 582 CA TYR A 37 -14.087 5.506 1.676 1.00 0.00 C ATOM 583 C TYR A 37 -12.635 5.017 1.769 1.00 0.00 C ATOM 584 O TYR A 37 -12.363 3.814 1.682 1.00 0.00 O ATOM 585 CB TYR A 37 -14.573 5.982 3.064 1.00 0.00 C ATOM 586 CG TYR A 37 -13.775 7.133 3.643 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.919 8.415 3.089 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.815 6.910 4.648 1.00 0.00 C ATOM 589 CE1 TYR A 37 -13.108 9.476 3.518 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.979 7.961 5.061 1.00 0.00 C ATOM 591 CZ TYR A 37 -12.115 9.249 4.494 1.00 0.00 C ATOM 592 OH TYR A 37 -11.286 10.267 4.864 1.00 0.00 O ATOM 0 H TYR A 37 -14.537 3.502 1.285 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.132 6.339 0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.618 6.282 2.987 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.533 5.142 3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.662 8.586 2.324 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.721 5.934 5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.243 10.464 3.102 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.228 7.784 5.816 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.660 9.947 5.546 1.00 0.00 H new ATOM 602 N VAL A 38 -11.685 5.942 1.928 1.00 0.00 N ATOM 603 CA VAL A 38 -10.282 5.684 2.229 1.00 0.00 C ATOM 604 C VAL A 38 -9.703 6.941 2.846 1.00 0.00 C ATOM 605 O VAL A 38 -9.947 8.056 2.377 1.00 0.00 O ATOM 606 CB VAL A 38 -9.497 5.113 1.011 1.00 0.00 C ATOM 607 CG1 VAL A 38 -10.209 5.283 -0.335 1.00 0.00 C ATOM 608 CG2 VAL A 38 -8.087 5.668 0.796 1.00 0.00 C ATOM 0 H VAL A 38 -11.887 6.938 1.846 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.186 4.880 2.959 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.438 4.065 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.594 4.858 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.170 4.769 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.371 6.343 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.640 5.197 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.140 6.746 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.475 5.457 1.673 1.00 0.00 H new ATOM 618 N ASP A 39 -8.967 6.720 3.926 1.00 0.00 N ATOM 619 CA ASP A 39 -8.130 7.702 4.575 1.00 0.00 C ATOM 620 C ASP A 39 -6.782 7.693 3.865 1.00 0.00 C ATOM 621 O ASP A 39 -6.323 6.631 3.443 1.00 0.00 O ATOM 622 CB ASP A 39 -8.008 7.360 6.077 1.00 0.00 C ATOM 623 CG ASP A 39 -6.696 7.757 6.756 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.299 8.936 6.677 1.00 0.00 O ATOM 625 OD2 ASP A 39 -6.121 6.883 7.453 1.00 0.00 O ATOM 0 H ASP A 39 -8.940 5.811 4.388 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.554 8.704 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.828 7.845 6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.143 6.285 6.196 1.00 0.00 H new ATOM 630 N LEU A 40 -6.149 8.855 3.707 1.00 0.00 N ATOM 631 CA LEU A 40 -4.832 8.980 3.104 1.00 0.00 C ATOM 632 C LEU A 40 -4.004 9.981 3.903 1.00 0.00 C ATOM 633 O LEU A 40 -4.568 10.922 4.479 1.00 0.00 O ATOM 634 CB LEU A 40 -4.937 9.446 1.642 1.00 0.00 C ATOM 635 CG LEU A 40 -5.513 8.386 0.693 1.00 0.00 C ATOM 636 CD1 LEU A 40 -5.748 9.008 -0.682 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.598 7.164 0.540 1.00 0.00 C ATOM 0 H LEU A 40 -6.547 9.747 4.001 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.349 8.003 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.563 10.337 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.946 9.735 1.291 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.450 8.041 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.157 8.256 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.452 9.835 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.803 9.377 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.057 6.449 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.634 7.479 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.452 6.695 1.513 1.00 0.00 H new ATOM 649 N PRO A 41 -2.670 9.823 3.907 1.00 0.00 N ATOM 650 CA PRO A 41 -1.792 10.735 4.611 1.00 0.00 C ATOM 651 C PRO A 41 -1.706 12.086 3.901 1.00 0.00 C ATOM 652 O PRO A 41 -2.178 12.268 2.781 1.00 0.00 O ATOM 653 CB PRO A 41 -0.430 10.048 4.668 1.00 0.00 C ATOM 654 CG PRO A 41 -0.479 8.910 3.647 1.00 0.00 C ATOM 655 CD PRO A 41 -1.920 8.812 3.179 1.00 0.00 C ATOM 0 HA PRO A 41 -2.167 10.950 5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.369 10.750 4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.230 9.664 5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.188 9.112 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.152 7.972 4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.989 8.979 2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.322 7.818 3.373 1.00 0.00 H new ATOM 663 N GLU A 42 -1.015 13.021 4.542 1.00 0.00 N ATOM 664 CA GLU A 42 -0.608 14.269 3.930 1.00 0.00 C ATOM 665 C GLU A 42 0.620 13.991 3.055 1.00 0.00 C ATOM 666 O GLU A 42 1.433 13.125 3.385 1.00 0.00 O ATOM 667 CB GLU A 42 -0.272 15.247 5.058 1.00 0.00 C ATOM 668 CG GLU A 42 -0.123 16.692 4.578 1.00 0.00 C ATOM 669 CD GLU A 42 1.035 17.370 5.305 1.00 0.00 C ATOM 670 OE1 GLU A 42 0.810 17.900 6.417 1.00 0.00 O ATOM 671 OE2 GLU A 42 2.166 17.323 4.779 1.00 0.00 O ATOM 0 H GLU A 42 -0.720 12.927 5.514 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.392 14.697 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.055 15.201 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.655 14.933 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.053 16.710 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.047 17.241 4.759 1.00 0.00 H new ATOM 678 N VAL A 43 0.809 14.766 1.988 1.00 0.00 N ATOM 679 CA VAL A 43 1.832 14.624 0.945 1.00 0.00 C ATOM 680 C VAL A 43 3.269 14.983 1.413 1.00 0.00 C ATOM 681 O VAL A 43 4.181 15.234 0.629 1.00 0.00 O ATOM 682 CB VAL A 43 1.306 15.432 -0.267 1.00 0.00 C ATOM 683 CG1 VAL A 43 1.923 16.826 -0.387 1.00 0.00 C ATOM 684 CG2 VAL A 43 1.481 14.654 -1.566 1.00 0.00 C ATOM 0 H VAL A 43 0.207 15.571 1.814 1.00 0.00 H new ATOM 0 HA VAL A 43 1.969 13.580 0.663 1.00 0.00 H new ATOM 0 HB VAL A 43 0.242 15.581 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.508 17.334 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.698 17.402 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.004 16.737 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.103 15.247 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.538 14.441 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.927 13.717 -1.506 1.00 0.00 H new ATOM 694 N GLY A 44 3.465 15.022 2.718 1.00 0.00 N ATOM 695 CA GLY A 44 4.667 15.386 3.442 1.00 0.00 C ATOM 696 C GLY A 44 4.723 14.729 4.824 1.00 0.00 C ATOM 697 O GLY A 44 5.612 15.051 5.615 1.00 0.00 O ATOM 0 H GLY A 44 2.711 14.775 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.542 15.090 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.710 16.469 3.553 1.00 0.00 H new ATOM 701 N ARG A 45 3.783 13.828 5.156 1.00 0.00 N ATOM 702 CA ARG A 45 3.774 13.140 6.447 1.00 0.00 C ATOM 703 C ARG A 45 4.987 12.219 6.506 1.00 0.00 C ATOM 704 O ARG A 45 5.180 11.403 5.608 1.00 0.00 O ATOM 705 CB ARG A 45 2.449 12.381 6.637 1.00 0.00 C ATOM 706 CG ARG A 45 2.261 11.809 8.056 1.00 0.00 C ATOM 707 CD ARG A 45 0.781 11.473 8.300 1.00 0.00 C ATOM 708 NE ARG A 45 0.526 10.914 9.640 1.00 0.00 N ATOM 709 CZ ARG A 45 -0.665 10.566 10.153 1.00 0.00 C ATOM 710 NH1 ARG A 45 -1.795 10.703 9.453 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.702 10.060 11.378 1.00 0.00 N ATOM 0 H ARG A 45 3.016 13.561 4.539 1.00 0.00 H new ATOM 0 HA ARG A 45 3.841 13.854 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.620 13.053 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.402 11.565 5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.870 10.913 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.604 12.532 8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.184 12.376 8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.448 10.759 7.546 1.00 0.00 H new ATOM 0 HE ARG A 45 1.339 10.777 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.766 11.080 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.687 10.431 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.162 9.943 11.908 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.594 9.788 11.791 1.00 0.00 H new ATOM 725 N GLU A 46 5.823 12.332 7.529 1.00 0.00 N ATOM 726 CA GLU A 46 6.858 11.335 7.785 1.00 0.00 C ATOM 727 C GLU A 46 6.201 10.113 8.413 1.00 0.00 C ATOM 728 O GLU A 46 5.261 10.275 9.196 1.00 0.00 O ATOM 729 CB GLU A 46 7.912 11.930 8.720 1.00 0.00 C ATOM 730 CG GLU A 46 9.198 12.240 7.947 1.00 0.00 C ATOM 731 CD GLU A 46 10.345 11.242 8.160 1.00 0.00 C ATOM 732 OE1 GLU A 46 10.146 10.146 8.733 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.481 11.554 7.736 1.00 0.00 O ATOM 0 H GLU A 46 5.806 13.103 8.196 1.00 0.00 H new ATOM 0 HA GLU A 46 7.351 11.041 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.528 12.841 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.126 11.231 9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.963 12.278 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.544 13.233 8.233 1.00 0.00 H new ATOM 740 N VAL A 47 6.679 8.914 8.075 1.00 0.00 N ATOM 741 CA VAL A 47 6.069 7.651 8.491 1.00 0.00 C ATOM 742 C VAL A 47 7.163 6.612 8.751 1.00 0.00 C ATOM 743 O VAL A 47 8.357 6.928 8.691 1.00 0.00 O ATOM 744 CB VAL A 47 5.023 7.188 7.449 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.926 8.237 7.228 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.630 6.845 6.082 1.00 0.00 C ATOM 0 H VAL A 47 7.511 8.792 7.498 1.00 0.00 H new ATOM 0 HA VAL A 47 5.528 7.787 9.427 1.00 0.00 H new ATOM 0 HB VAL A 47 4.598 6.282 7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.214 7.869 6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.408 8.425 8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.375 9.163 6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.839 6.528 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.129 7.724 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.354 6.038 6.197 1.00 0.00 H new ATOM 756 N LYS A 48 6.792 5.374 9.077 1.00 0.00 N ATOM 757 CA LYS A 48 7.693 4.264 9.343 1.00 0.00 C ATOM 758 C LYS A 48 7.145 2.993 8.710 1.00 0.00 C ATOM 759 O LYS A 48 5.965 2.958 8.364 1.00 0.00 O ATOM 760 CB LYS A 48 7.817 4.084 10.851 1.00 0.00 C ATOM 761 CG LYS A 48 8.724 5.162 11.454 1.00 0.00 C ATOM 762 CD LYS A 48 9.050 4.852 12.910 1.00 0.00 C ATOM 763 CE LYS A 48 10.120 5.827 13.400 1.00 0.00 C ATOM 764 NZ LYS A 48 10.403 5.615 14.830 1.00 0.00 N ATOM 0 H LYS A 48 5.811 5.111 9.166 1.00 0.00 H new ATOM 0 HA LYS A 48 8.674 4.471 8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.830 4.134 11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.222 3.096 11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.647 5.229 10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.234 6.133 11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.153 4.939 13.523 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.404 3.826 13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.033 5.694 12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.786 6.852 13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.132 6.287 15.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.534 5.765 15.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.743 4.643 14.976 1.00 0.00 H new ATOM 778 N LYS A 49 7.963 1.939 8.642 1.00 0.00 N ATOM 779 CA LYS A 49 7.705 0.671 7.941 1.00 0.00 C ATOM 780 C LYS A 49 6.597 -0.217 8.519 1.00 0.00 C ATOM 781 O LYS A 49 6.523 -1.417 8.219 1.00 0.00 O ATOM 782 CB LYS A 49 9.031 -0.094 7.838 1.00 0.00 C ATOM 783 CG LYS A 49 9.379 -0.874 9.107 1.00 0.00 C ATOM 784 CD LYS A 49 10.887 -1.028 9.248 1.00 0.00 C ATOM 785 CE LYS A 49 11.131 -1.765 10.557 1.00 0.00 C ATOM 786 NZ LYS A 49 12.561 -2.015 10.789 1.00 0.00 N ATOM 0 H LYS A 49 8.875 1.945 9.099 1.00 0.00 H new ATOM 0 HA LYS A 49 7.310 0.940 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.979 -0.786 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.834 0.611 7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.978 -0.357 9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.909 -1.857 9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.299 -1.586 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.376 -0.054 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.726 -1.180 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.594 -2.714 10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.684 -2.519 11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.942 -2.594 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.070 -1.109 10.827 1.00 0.00 H new ATOM 800 N GLY A 50 5.730 0.350 9.344 1.00 0.00 N ATOM 801 CA GLY A 50 4.444 -0.234 9.644 1.00 0.00 C ATOM 802 C GLY A 50 3.536 0.819 10.257 1.00 0.00 C ATOM 803 O GLY A 50 3.201 0.708 11.433 1.00 0.00 O ATOM 0 H GLY A 50 5.906 1.233 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.993 -0.633 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.565 -1.070 10.333 1.00 0.00 H new ATOM 807 N GLU A 51 3.144 1.848 9.501 1.00 0.00 N ATOM 808 CA GLU A 51 2.269 2.931 9.942 1.00 0.00 C ATOM 809 C GLU A 51 0.938 2.965 9.198 1.00 0.00 C ATOM 810 O GLU A 51 0.928 3.099 7.981 1.00 0.00 O ATOM 811 CB GLU A 51 3.004 4.250 9.726 1.00 0.00 C ATOM 812 CG GLU A 51 3.813 4.622 10.960 1.00 0.00 C ATOM 813 CD GLU A 51 3.470 6.011 11.492 1.00 0.00 C ATOM 814 OE1 GLU A 51 3.601 6.991 10.731 1.00 0.00 O ATOM 815 OE2 GLU A 51 3.182 6.085 12.710 1.00 0.00 O ATOM 0 H GLU A 51 3.439 1.951 8.530 1.00 0.00 H new ATOM 0 HA GLU A 51 2.034 2.767 10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.665 4.167 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.287 5.040 9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.635 3.884 11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.875 4.582 10.719 1.00 0.00 H new ATOM 822 N VAL A 52 -0.171 2.896 9.935 1.00 0.00 N ATOM 823 CA VAL A 52 -1.578 2.806 9.496 1.00 0.00 C ATOM 824 C VAL A 52 -2.114 4.053 8.741 1.00 0.00 C ATOM 825 O VAL A 52 -3.317 4.281 8.649 1.00 0.00 O ATOM 826 CB VAL A 52 -2.458 2.215 10.641 1.00 0.00 C ATOM 827 CG1 VAL A 52 -1.891 2.414 12.045 1.00 0.00 C ATOM 828 CG2 VAL A 52 -3.942 2.612 10.726 1.00 0.00 C ATOM 0 H VAL A 52 -0.109 2.902 10.953 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.643 2.083 8.683 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.418 1.176 10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.568 1.972 12.777 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.916 1.932 12.115 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.784 3.480 12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.404 2.113 11.578 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.023 3.692 10.851 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.452 2.313 9.810 1.00 0.00 H new ATOM 838 N VAL A 53 -1.252 4.887 8.170 1.00 0.00 N ATOM 839 CA VAL A 53 -1.554 6.213 7.622 1.00 0.00 C ATOM 840 C VAL A 53 -2.535 6.253 6.435 1.00 0.00 C ATOM 841 O VAL A 53 -2.666 7.305 5.813 1.00 0.00 O ATOM 842 CB VAL A 53 -0.232 6.914 7.273 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.534 7.213 8.560 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.633 6.112 6.287 1.00 0.00 C ATOM 0 H VAL A 53 -0.266 4.646 8.069 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.094 6.744 8.406 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.475 7.846 6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.473 7.711 8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.066 7.862 9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.742 6.280 9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.552 6.660 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.878 5.143 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.083 5.963 5.358 1.00 0.00 H new ATOM 854 N ALA A 54 -3.189 5.147 6.071 1.00 0.00 N ATOM 855 CA ALA A 54 -4.099 5.096 4.941 1.00 0.00 C ATOM 856 C ALA A 54 -5.230 4.100 5.202 1.00 0.00 C ATOM 857 O ALA A 54 -5.439 3.170 4.423 1.00 0.00 O ATOM 858 CB ALA A 54 -3.288 4.757 3.690 1.00 0.00 C ATOM 0 H ALA A 54 -3.096 4.258 6.562 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.581 6.062 4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.952 4.713 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.532 5.525 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.801 3.791 3.823 1.00 0.00 H new ATOM 864 N SER A 55 -5.901 4.225 6.346 1.00 0.00 N ATOM 865 CA SER A 55 -6.911 3.270 6.766 1.00 0.00 C ATOM 866 C SER A 55 -8.045 3.201 5.751 1.00 0.00 C ATOM 867 O SER A 55 -8.482 4.189 5.162 1.00 0.00 O ATOM 868 CB SER A 55 -7.479 3.662 8.128 1.00 0.00 C ATOM 869 OG SER A 55 -7.192 2.700 9.127 1.00 0.00 O ATOM 0 H SER A 55 -5.756 4.992 7.003 1.00 0.00 H new ATOM 0 HA SER A 55 -6.437 2.291 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.068 4.626 8.427 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.559 3.787 8.047 1.00 0.00 H new ATOM 0 HG SER A 55 -7.572 2.992 9.982 1.00 0.00 H new ATOM 875 N ILE A 56 -8.621 2.019 5.649 1.00 0.00 N ATOM 876 CA ILE A 56 -9.773 1.765 4.804 1.00 0.00 C ATOM 877 C ILE A 56 -10.974 1.594 5.736 1.00 0.00 C ATOM 878 O ILE A 56 -10.850 0.997 6.812 1.00 0.00 O ATOM 879 CB ILE A 56 -9.521 0.563 3.859 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.099 0.563 3.248 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.606 0.585 2.764 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.832 -0.526 2.203 1.00 0.00 C ATOM 0 H ILE A 56 -8.298 1.196 6.158 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.973 2.595 4.126 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.582 -0.359 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.919 1.535 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.375 0.453 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.453 -0.252 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.590 0.502 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.543 1.521 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.808 -0.438 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.972 -1.507 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.525 -0.409 1.370 1.00 0.00 H new ATOM 894 N GLU A 57 -12.130 2.096 5.316 1.00 0.00 N ATOM 895 CA GLU A 57 -13.453 1.666 5.730 1.00 0.00 C ATOM 896 C GLU A 57 -14.101 1.187 4.440 1.00 0.00 C ATOM 897 O GLU A 57 -13.883 1.853 3.435 1.00 0.00 O ATOM 898 CB GLU A 57 -14.252 2.866 6.274 1.00 0.00 C ATOM 899 CG GLU A 57 -14.261 2.851 7.793 1.00 0.00 C ATOM 900 CD GLU A 57 -15.255 3.869 8.364 1.00 0.00 C ATOM 901 OE1 GLU A 57 -16.482 3.612 8.339 1.00 0.00 O ATOM 902 OE2 GLU A 57 -14.821 4.934 8.869 1.00 0.00 O ATOM 0 H GLU A 57 -12.167 2.858 4.639 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.420 0.906 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.812 3.797 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.274 2.831 5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.520 1.853 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.260 3.071 8.165 1.00 0.00 H new ATOM 909 N SER A 58 -14.901 0.118 4.446 1.00 0.00 N ATOM 910 CA SER A 58 -15.939 -0.096 3.438 1.00 0.00 C ATOM 911 C SER A 58 -17.296 0.044 4.111 1.00 0.00 C ATOM 912 O SER A 58 -17.377 0.397 5.290 1.00 0.00 O ATOM 913 CB SER A 58 -15.781 -1.416 2.670 1.00 0.00 C ATOM 914 OG SER A 58 -16.015 -2.585 3.378 1.00 0.00 O ATOM 0 H SER A 58 -14.847 -0.620 5.148 1.00 0.00 H new ATOM 0 HA SER A 58 -15.842 0.666 2.664 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.458 -1.395 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.767 -1.458 2.272 1.00 0.00 H new ATOM 0 HG SER A 58 -15.955 -3.352 2.771 1.00 0.00 H new ATOM 920 N VAL A 59 -18.357 -0.247 3.359 1.00 0.00 N ATOM 921 CA VAL A 59 -19.744 -0.223 3.793 1.00 0.00 C ATOM 922 C VAL A 59 -19.945 -0.792 5.201 1.00 0.00 C ATOM 923 O VAL A 59 -20.723 -0.201 5.953 1.00 0.00 O ATOM 924 CB VAL A 59 -20.617 -0.903 2.719 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.894 0.077 1.575 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.965 -2.153 2.107 1.00 0.00 C ATOM 0 H VAL A 59 -18.262 -0.519 2.381 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.065 0.814 3.888 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.533 -1.206 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.511 -0.410 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.418 0.951 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.951 0.389 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.632 -2.582 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.021 -1.878 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.779 -2.887 2.891 1.00 0.00 H new ATOM 936 N LYS A 60 -19.226 -1.850 5.614 1.00 0.00 N ATOM 937 CA LYS A 60 -19.070 -2.140 7.044 1.00 0.00 C ATOM 938 C LYS A 60 -17.700 -2.705 7.447 1.00 0.00 C ATOM 939 O LYS A 60 -17.519 -2.957 8.644 1.00 0.00 O ATOM 940 CB LYS A 60 -20.234 -3.028 7.563 1.00 0.00 C ATOM 941 CG LYS A 60 -21.409 -2.221 8.157 1.00 0.00 C ATOM 942 CD LYS A 60 -22.660 -2.230 7.267 1.00 0.00 C ATOM 943 CE LYS A 60 -23.622 -1.085 7.619 1.00 0.00 C ATOM 944 NZ LYS A 60 -23.290 0.166 6.903 1.00 0.00 N ATOM 0 H LYS A 60 -18.754 -2.505 4.990 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.118 -1.170 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.604 -3.643 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.850 -3.708 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -21.664 -2.629 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -21.091 -1.191 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.362 -2.146 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -23.176 -3.184 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -24.642 -1.382 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -23.592 -0.905 8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -23.280 0.959 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.353 0.075 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -24.004 0.345 6.168 1.00 0.00 H new ATOM 958 N ALA A 61 -16.729 -2.910 6.548 1.00 0.00 N ATOM 959 CA ALA A 61 -15.401 -3.391 6.944 1.00 0.00 C ATOM 960 C ALA A 61 -14.510 -2.220 7.358 1.00 0.00 C ATOM 961 O ALA A 61 -14.854 -1.058 7.134 1.00 0.00 O ATOM 962 CB ALA A 61 -14.726 -4.168 5.805 1.00 0.00 C ATOM 0 H ALA A 61 -16.838 -2.751 5.546 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.535 -4.063 7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.744 -4.511 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.340 -5.028 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.614 -3.518 4.937 1.00 0.00 H new ATOM 968 N ALA A 62 -13.321 -2.537 7.873 1.00 0.00 N ATOM 969 CA ALA A 62 -12.179 -1.638 7.958 1.00 0.00 C ATOM 970 C ALA A 62 -10.910 -2.431 7.635 1.00 0.00 C ATOM 971 O ALA A 62 -10.938 -3.667 7.676 1.00 0.00 O ATOM 972 CB ALA A 62 -12.106 -1.013 9.357 1.00 0.00 C ATOM 0 H ALA A 62 -13.124 -3.462 8.255 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.282 -0.824 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.249 -0.342 9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.019 -0.451 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.998 -1.801 10.102 1.00 0.00 H new ATOM 978 N ALA A 63 -9.804 -1.755 7.308 1.00 0.00 N ATOM 979 CA ALA A 63 -8.494 -2.378 7.134 1.00 0.00 C ATOM 980 C ALA A 63 -7.391 -1.319 7.258 1.00 0.00 C ATOM 981 O ALA A 63 -7.275 -0.447 6.400 1.00 0.00 O ATOM 982 CB ALA A 63 -8.409 -3.088 5.773 1.00 0.00 C ATOM 0 H ALA A 63 -9.797 -0.747 7.155 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.354 -3.125 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.426 -3.546 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.177 -3.859 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.564 -2.363 4.974 1.00 0.00 H new ATOM 988 N ASP A 64 -6.582 -1.389 8.310 1.00 0.00 N ATOM 989 CA ASP A 64 -5.416 -0.537 8.559 1.00 0.00 C ATOM 990 C ASP A 64 -4.390 -0.796 7.440 1.00 0.00 C ATOM 991 O ASP A 64 -4.085 -1.968 7.180 1.00 0.00 O ATOM 992 CB ASP A 64 -4.769 -0.857 9.937 1.00 0.00 C ATOM 993 CG ASP A 64 -5.632 -1.495 11.038 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.226 -2.576 10.802 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.656 -0.969 12.176 1.00 0.00 O ATOM 0 H ASP A 64 -6.726 -2.075 9.051 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.729 0.507 8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.923 -1.520 9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.365 0.074 10.334 1.00 0.00 H new ATOM 1000 N VAL A 65 -3.871 0.222 6.738 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.826 0.032 5.720 1.00 0.00 C ATOM 1002 C VAL A 65 -1.504 0.461 6.352 1.00 0.00 C ATOM 1003 O VAL A 65 -1.326 1.658 6.574 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.102 0.886 4.476 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.937 0.834 3.463 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.408 0.429 3.817 1.00 0.00 C ATOM 0 H VAL A 65 -4.160 1.193 6.858 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.800 -1.010 5.402 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.198 1.923 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.178 1.454 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.028 1.207 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.782 -0.195 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.602 1.037 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.321 -0.618 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.231 0.542 4.523 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.592 -0.462 6.654 1.00 0.00 N ATOM 1017 CA TYR A 66 0.610 -0.155 7.408 1.00 0.00 C ATOM 1018 C TYR A 66 1.824 0.050 6.499 1.00 0.00 C ATOM 1019 O TYR A 66 2.513 -0.914 6.153 1.00 0.00 O ATOM 1020 CB TYR A 66 0.918 -1.261 8.409 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.166 -1.592 9.406 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.356 -0.820 10.565 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -0.935 -2.745 9.202 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.290 -1.237 11.534 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -1.830 -3.194 10.176 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.009 -2.442 11.353 1.00 0.00 C ATOM 1027 OH TYR A 66 -2.888 -2.885 12.284 1.00 0.00 O ATOM 0 H TYR A 66 -0.671 -1.441 6.380 1.00 0.00 H new ATOM 0 HA TYR A 66 0.416 0.778 7.937 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.157 -2.167 7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.815 -0.980 8.961 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.211 0.088 10.712 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.834 -3.295 8.278 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.457 -0.636 12.416 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.381 -4.111 10.027 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.286 -3.729 11.983 1.00 0.00 H new ATOM 1037 N ALA A 67 2.156 1.316 6.234 1.00 0.00 N ATOM 1038 CA ALA A 67 3.206 1.767 5.324 1.00 0.00 C ATOM 1039 C ALA A 67 4.434 0.845 5.327 1.00 0.00 C ATOM 1040 O ALA A 67 4.995 0.616 6.393 1.00 0.00 O ATOM 1041 CB ALA A 67 3.651 3.189 5.679 1.00 0.00 C ATOM 0 H ALA A 67 1.670 2.097 6.675 1.00 0.00 H new ATOM 0 HA ALA A 67 2.772 1.745 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.434 3.508 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.801 3.867 5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.036 3.206 6.699 1.00 0.00 H new ATOM 1047 N PRO A 68 4.876 0.317 4.176 1.00 0.00 N ATOM 1048 CA PRO A 68 5.732 -0.862 4.128 1.00 0.00 C ATOM 1049 C PRO A 68 7.200 -0.607 4.487 1.00 0.00 C ATOM 1050 O PRO A 68 7.883 -1.552 4.882 1.00 0.00 O ATOM 1051 CB PRO A 68 5.611 -1.360 2.686 1.00 0.00 C ATOM 1052 CG PRO A 68 5.303 -0.096 1.887 1.00 0.00 C ATOM 1053 CD PRO A 68 4.405 0.661 2.852 1.00 0.00 C ATOM 0 HA PRO A 68 5.408 -1.584 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.533 -1.832 2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.818 -2.101 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.205 0.464 1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.799 -0.318 0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.465 1.736 2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.361 0.376 2.721 1.00 0.00 H new ATOM 1061 N LEU A 69 7.699 0.622 4.324 1.00 0.00 N ATOM 1062 CA LEU A 69 9.084 1.033 4.564 1.00 0.00 C ATOM 1063 C LEU A 69 9.075 2.327 5.367 1.00 0.00 C ATOM 1064 O LEU A 69 8.106 3.081 5.274 1.00 0.00 O ATOM 1065 CB LEU A 69 9.788 1.362 3.238 1.00 0.00 C ATOM 1066 CG LEU A 69 10.258 0.233 2.319 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.859 -0.950 3.072 1.00 0.00 C ATOM 1068 CD2 LEU A 69 9.144 -0.222 1.387 1.00 0.00 C ATOM 0 H LEU A 69 7.117 1.396 4.005 1.00 0.00 H new ATOM 0 HA LEU A 69 9.596 0.221 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.111 1.990 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.661 1.970 3.477 1.00 0.00 H new ATOM 0 HG LEU A 69 11.064 0.653 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.171 -1.714 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.723 -0.615 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.113 -1.368 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.510 -1.025 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.301 -0.583 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.822 0.616 0.769 1.00 0.00 H new ATOM 1080 N SER A 70 10.163 2.656 6.060 1.00 0.00 N ATOM 1081 CA SER A 70 10.336 4.003 6.584 1.00 0.00 C ATOM 1082 C SER A 70 10.720 4.957 5.449 1.00 0.00 C ATOM 1083 O SER A 70 11.211 4.549 4.392 1.00 0.00 O ATOM 1084 CB SER A 70 11.346 3.971 7.724 1.00 0.00 C ATOM 1085 OG SER A 70 10.813 3.184 8.774 1.00 0.00 O ATOM 0 H SER A 70 10.928 2.015 6.268 1.00 0.00 H new ATOM 0 HA SER A 70 9.402 4.383 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.292 3.553 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.553 4.982 8.076 1.00 0.00 H new ATOM 0 HG SER A 70 11.453 3.152 9.516 1.00 0.00 H new ATOM 1091 N GLY A 71 10.404 6.239 5.606 1.00 0.00 N ATOM 1092 CA GLY A 71 10.309 7.186 4.508 1.00 0.00 C ATOM 1093 C GLY A 71 9.298 8.259 4.857 1.00 0.00 C ATOM 1094 O GLY A 71 8.768 8.314 5.973 1.00 0.00 O ATOM 0 H GLY A 71 10.204 6.653 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.283 7.637 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.010 6.672 3.594 1.00 0.00 H new ATOM 1098 N LYS A 72 9.035 9.124 3.888 1.00 0.00 N ATOM 1099 CA LYS A 72 8.122 10.249 4.029 1.00 0.00 C ATOM 1100 C LYS A 72 7.146 10.136 2.866 1.00 0.00 C ATOM 1101 O LYS A 72 7.549 9.732 1.773 1.00 0.00 O ATOM 1102 CB LYS A 72 8.875 11.587 4.010 1.00 0.00 C ATOM 1103 CG LYS A 72 10.247 11.606 4.699 1.00 0.00 C ATOM 1104 CD LYS A 72 11.400 11.342 3.728 1.00 0.00 C ATOM 1105 CE LYS A 72 12.706 11.256 4.518 1.00 0.00 C ATOM 1106 NZ LYS A 72 13.859 11.200 3.607 1.00 0.00 N ATOM 0 H LYS A 72 9.459 9.062 2.963 1.00 0.00 H new ATOM 0 HA LYS A 72 7.600 10.222 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.010 11.889 2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.245 12.341 4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.395 12.574 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.263 10.854 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.228 10.414 3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.459 12.140 2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.797 12.120 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.695 10.371 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.315 10.268 3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.537 11.351 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.541 11.941 3.865 1.00 0.00 H new ATOM 1120 N ILE A 73 5.873 10.430 3.083 1.00 0.00 N ATOM 1121 CA ILE A 73 4.889 10.484 2.014 1.00 0.00 C ATOM 1122 C ILE A 73 5.252 11.681 1.133 1.00 0.00 C ATOM 1123 O ILE A 73 5.774 12.679 1.641 1.00 0.00 O ATOM 1124 CB ILE A 73 3.475 10.598 2.619 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.191 9.506 3.678 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.384 10.566 1.531 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.577 8.082 3.281 1.00 0.00 C ATOM 0 H ILE A 73 5.493 10.638 4.007 1.00 0.00 H new ATOM 0 HA ILE A 73 4.892 9.580 1.405 1.00 0.00 H new ATOM 0 HB ILE A 73 3.444 11.566 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.724 9.766 4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.127 9.522 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.402 10.649 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.531 11.399 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.446 9.627 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.335 7.399 4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.025 7.791 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.647 8.038 3.077 1.00 0.00 H new ATOM 1139 N VAL A 74 5.000 11.560 -0.171 1.00 0.00 N ATOM 1140 CA VAL A 74 5.275 12.611 -1.150 1.00 0.00 C ATOM 1141 C VAL A 74 4.297 12.597 -2.330 1.00 0.00 C ATOM 1142 O VAL A 74 4.277 13.562 -3.094 1.00 0.00 O ATOM 1143 CB VAL A 74 6.716 12.469 -1.707 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.803 12.888 -0.709 1.00 0.00 C ATOM 1145 CG2 VAL A 74 6.999 11.032 -2.194 1.00 0.00 C ATOM 0 H VAL A 74 4.594 10.719 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 74 5.157 13.556 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 74 6.761 13.158 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.785 12.762 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.662 13.933 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.736 12.266 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.018 10.972 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.882 10.337 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.297 10.772 -2.986 1.00 0.00 H new ATOM 1155 N GLU A 75 3.473 11.553 -2.492 1.00 0.00 N ATOM 1156 CA GLU A 75 2.391 11.564 -3.466 1.00 0.00 C ATOM 1157 C GLU A 75 1.200 10.845 -2.832 1.00 0.00 C ATOM 1158 O GLU A 75 1.381 9.951 -1.997 1.00 0.00 O ATOM 1159 CB GLU A 75 2.861 10.879 -4.760 1.00 0.00 C ATOM 1160 CG GLU A 75 2.305 11.523 -6.027 1.00 0.00 C ATOM 1161 CD GLU A 75 2.879 10.858 -7.276 1.00 0.00 C ATOM 1162 OE1 GLU A 75 4.074 11.077 -7.590 1.00 0.00 O ATOM 1163 OE2 GLU A 75 2.158 10.059 -7.920 1.00 0.00 O ATOM 0 H GLU A 75 3.542 10.689 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 75 2.094 12.579 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.950 10.901 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.564 9.830 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.218 11.441 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.545 12.586 -6.034 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.016 11.201 -3.227 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.264 10.571 -2.798 1.00 0.00 C ATOM 1172 C VAL A 76 -2.127 10.384 -4.045 1.00 0.00 C ATOM 1173 O VAL A 76 -1.887 11.037 -5.066 1.00 0.00 O ATOM 1174 CB VAL A 76 -1.976 11.408 -1.712 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.149 11.494 -0.421 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.299 12.815 -2.229 1.00 0.00 C ATOM 0 H VAL A 76 -0.169 11.968 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.068 9.604 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.909 10.897 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.686 12.091 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.986 10.491 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.188 11.961 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.800 13.384 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.375 13.320 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.952 12.742 -3.099 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.108 9.486 -3.986 1.00 0.00 N ATOM 1187 CA ASN A 77 -3.881 9.118 -5.158 1.00 0.00 C ATOM 1188 C ASN A 77 -5.252 9.769 -5.095 1.00 0.00 C ATOM 1189 O ASN A 77 -6.200 9.185 -4.568 1.00 0.00 O ATOM 1190 CB ASN A 77 -3.968 7.598 -5.269 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.366 7.150 -6.660 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.390 7.915 -7.622 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -4.666 5.875 -6.781 1.00 0.00 N ATOM 0 H ASN A 77 -3.383 9.001 -3.132 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.386 9.482 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.004 7.160 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.693 7.223 -4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.927 5.497 -7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.637 5.265 -5.964 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.369 10.974 -5.648 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.577 11.799 -5.611 1.00 0.00 C ATOM 1202 C GLU A 78 -7.772 11.126 -6.301 1.00 0.00 C ATOM 1203 O GLU A 78 -8.920 11.503 -6.067 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.263 13.180 -6.223 1.00 0.00 C ATOM 1205 CG GLU A 78 -5.641 14.132 -5.185 1.00 0.00 C ATOM 1206 CD GLU A 78 -5.107 15.450 -5.766 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -5.209 15.677 -6.998 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -4.400 16.169 -5.027 1.00 0.00 O ATOM 0 H GLU A 78 -4.601 11.419 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.876 11.927 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.579 13.059 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.178 13.620 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.390 14.361 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.825 13.615 -4.681 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.518 10.075 -7.081 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.528 9.156 -7.595 1.00 0.00 C ATOM 1217 C LYS A 79 -9.358 8.537 -6.469 1.00 0.00 C ATOM 1218 O LYS A 79 -10.572 8.376 -6.632 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.841 8.040 -8.401 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.543 8.445 -9.845 1.00 0.00 C ATOM 1221 CD LYS A 79 -6.974 7.271 -10.656 1.00 0.00 C ATOM 1222 CE LYS A 79 -5.534 6.931 -10.262 1.00 0.00 C ATOM 1223 NZ LYS A 79 -4.551 7.814 -10.924 1.00 0.00 N ATOM 0 H LYS A 79 -6.573 9.834 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.204 9.723 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.910 7.763 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.477 7.155 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.456 8.806 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.832 9.271 -9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.604 6.394 -10.510 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.009 7.516 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.425 7.015 -9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.323 5.894 -10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.677 7.844 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.339 7.447 -11.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.944 8.774 -11.003 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.740 8.133 -5.359 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.401 7.345 -4.309 1.00 0.00 C ATOM 1239 C LEU A 80 -10.395 8.224 -3.544 1.00 0.00 C ATOM 1240 O LEU A 80 -11.365 7.721 -2.977 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.357 6.733 -3.356 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.458 5.594 -3.891 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -7.867 4.254 -3.303 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.420 5.372 -5.407 1.00 0.00 C ATOM 0 H LEU A 80 -7.762 8.342 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.951 6.526 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.706 7.538 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.886 6.356 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.471 5.941 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.219 3.471 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.776 4.290 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.901 4.038 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.750 4.543 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.422 5.139 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.060 6.276 -5.898 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.195 9.541 -3.598 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.144 10.562 -3.173 1.00 0.00 C ATOM 1258 C ASP A 81 -12.450 10.386 -3.952 1.00 0.00 C ATOM 1259 O ASP A 81 -13.532 10.317 -3.371 1.00 0.00 O ATOM 1260 CB ASP A 81 -10.535 11.943 -3.462 1.00 0.00 C ATOM 1261 CG ASP A 81 -10.994 13.038 -2.510 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -11.961 13.763 -2.835 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -10.276 13.297 -1.519 1.00 0.00 O ATOM 0 H ASP A 81 -9.327 9.940 -3.956 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.354 10.472 -2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.449 11.866 -3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.789 12.233 -4.482 1.00 0.00 H new ATOM 1268 N THR A 82 -12.344 10.269 -5.280 1.00 0.00 N ATOM 1269 CA THR A 82 -13.481 10.292 -6.183 1.00 0.00 C ATOM 1270 C THR A 82 -14.163 8.924 -6.297 1.00 0.00 C ATOM 1271 O THR A 82 -15.365 8.866 -6.563 1.00 0.00 O ATOM 1272 CB THR A 82 -13.027 10.845 -7.557 1.00 0.00 C ATOM 1273 OG1 THR A 82 -11.841 10.256 -8.070 1.00 0.00 O ATOM 1274 CG2 THR A 82 -12.703 12.335 -7.471 1.00 0.00 C ATOM 0 H THR A 82 -11.449 10.154 -5.757 1.00 0.00 H new ATOM 0 HA THR A 82 -14.242 10.957 -5.774 1.00 0.00 H new ATOM 0 HB THR A 82 -13.871 10.617 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.651 9.426 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.387 12.696 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.590 12.882 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.900 12.492 -6.750 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.412 7.826 -6.156 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.855 6.476 -6.506 1.00 0.00 C ATOM 1284 C GLU A 83 -13.145 5.450 -5.573 1.00 0.00 C ATOM 1285 O GLU A 83 -12.238 4.733 -6.004 1.00 0.00 O ATOM 1286 CB GLU A 83 -13.525 6.174 -7.981 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.646 7.239 -9.084 1.00 0.00 C ATOM 1288 CD GLU A 83 -14.903 7.215 -9.950 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -15.903 6.524 -9.644 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -14.846 7.867 -11.020 1.00 0.00 O ATOM 0 H GLU A 83 -12.461 7.854 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.934 6.400 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.496 5.815 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.161 5.340 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.580 8.220 -8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.782 7.142 -9.742 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.495 5.365 -4.283 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.861 4.466 -3.314 1.00 0.00 C ATOM 1299 C PRO A 84 -12.788 3.018 -3.812 1.00 0.00 C ATOM 1300 O PRO A 84 -11.755 2.369 -3.640 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.659 4.629 -2.011 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.826 5.559 -2.327 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.512 6.189 -3.679 1.00 0.00 C ATOM 0 HA PRO A 84 -11.815 4.727 -3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.019 3.664 -1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.033 5.047 -1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.765 5.007 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.935 6.323 -1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.403 6.229 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.161 7.214 -3.558 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.839 2.493 -4.450 1.00 0.00 N ATOM 1312 CA GLU A 85 -13.872 1.106 -4.907 1.00 0.00 C ATOM 1313 C GLU A 85 -12.840 0.793 -6.017 1.00 0.00 C ATOM 1314 O GLU A 85 -12.743 -0.376 -6.363 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.297 0.701 -5.338 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.949 1.600 -6.400 1.00 0.00 C ATOM 1317 CD GLU A 85 -17.334 1.079 -6.807 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -17.431 0.069 -7.549 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -18.356 1.694 -6.432 1.00 0.00 O ATOM 0 H GLU A 85 -14.687 3.019 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.579 0.499 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.266 -0.319 -5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.935 0.691 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.041 2.615 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.306 1.651 -7.279 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.024 1.719 -6.562 1.00 0.00 N ATOM 1327 CA LEU A 86 -11.030 1.408 -7.612 1.00 0.00 C ATOM 1328 C LEU A 86 -10.000 0.395 -7.144 1.00 0.00 C ATOM 1329 O LEU A 86 -9.386 -0.277 -7.977 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.245 2.668 -8.032 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.362 3.136 -9.497 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.110 3.925 -9.898 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.506 1.969 -10.477 1.00 0.00 C ATOM 0 H LEU A 86 -12.035 2.701 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.606 1.006 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.565 3.490 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.190 2.491 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.258 3.755 -9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.202 4.251 -10.934 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.006 4.796 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.231 3.289 -9.794 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.584 2.355 -11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.633 1.321 -10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.403 1.399 -10.235 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.814 0.279 -5.830 1.00 0.00 N ATOM 1346 CA ILE A 87 -8.957 -0.730 -5.232 1.00 0.00 C ATOM 1347 C ILE A 87 -9.478 -2.133 -5.586 1.00 0.00 C ATOM 1348 O ILE A 87 -8.701 -3.076 -5.639 1.00 0.00 O ATOM 1349 CB ILE A 87 -8.827 -0.488 -3.709 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.551 0.995 -3.365 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -7.668 -1.345 -3.179 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.444 1.304 -1.866 1.00 0.00 C ATOM 0 H ILE A 87 -10.261 0.892 -5.148 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.949 -0.657 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.774 -0.760 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.623 1.298 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.348 1.605 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.560 -1.188 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.875 -2.397 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.744 -1.059 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.250 2.367 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.379 1.038 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.627 0.726 -1.433 1.00 0.00 H new ATOM 1364 N ASN A 88 -10.766 -2.289 -5.904 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.318 -3.516 -6.466 1.00 0.00 C ATOM 1366 C ASN A 88 -10.853 -3.674 -7.900 1.00 0.00 C ATOM 1367 O ASN A 88 -10.263 -4.683 -8.286 1.00 0.00 O ATOM 1368 CB ASN A 88 -12.849 -3.490 -6.507 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.475 -3.675 -5.133 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -13.991 -4.735 -4.803 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.426 -2.667 -4.284 1.00 0.00 N ATOM 0 H ASN A 88 -11.461 -1.554 -5.775 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.978 -4.333 -5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.181 -2.541 -6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.204 -4.277 -7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.819 -2.769 -3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.995 -1.786 -4.563 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.186 -2.659 -8.699 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.020 -2.607 -10.143 1.00 0.00 C ATOM 1380 C LYS A 89 -9.592 -2.923 -10.550 1.00 0.00 C ATOM 1381 O LYS A 89 -9.379 -3.511 -11.611 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.431 -1.221 -10.621 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.630 -1.236 -11.576 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.311 -1.619 -13.026 1.00 0.00 C ATOM 1385 CE LYS A 89 -12.263 -3.139 -13.203 1.00 0.00 C ATOM 1386 NZ LYS A 89 -11.912 -3.519 -14.578 1.00 0.00 N ATOM 0 H LYS A 89 -11.602 -1.804 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.652 -3.363 -10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.673 -0.604 -9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.584 -0.751 -11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.373 -1.934 -11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.089 -0.247 -11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.065 -1.197 -13.690 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.353 -1.187 -13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.534 -3.562 -12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.232 -3.566 -12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.890 -4.556 -14.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.621 -3.137 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.976 -3.134 -14.816 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.626 -2.499 -9.738 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.243 -2.917 -9.844 1.00 0.00 C ATOM 1402 C ASP A 90 -6.507 -2.443 -8.598 1.00 0.00 C ATOM 1403 O ASP A 90 -6.169 -1.258 -8.524 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.577 -2.343 -11.096 1.00 0.00 C ATOM 1405 CG ASP A 90 -5.663 -3.406 -11.705 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -4.692 -3.813 -11.026 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -5.932 -3.920 -12.817 1.00 0.00 O ATOM 0 H ASP A 90 -8.793 -1.843 -8.975 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.203 -4.003 -9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.334 -2.038 -11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.002 -1.453 -10.842 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.265 -3.302 -7.604 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.590 -2.880 -6.389 1.00 0.00 C ATOM 1414 C PRO A 91 -4.126 -2.499 -6.616 1.00 0.00 C ATOM 1415 O PRO A 91 -3.527 -1.933 -5.704 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.711 -4.047 -5.402 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.255 -5.228 -6.202 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.749 -4.664 -7.522 1.00 0.00 C ATOM 0 HA PRO A 91 -6.057 -1.974 -6.004 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.743 -4.287 -4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.380 -3.793 -4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.479 -5.976 -6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.064 -5.721 -5.664 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.378 -5.257 -8.358 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.838 -4.691 -7.570 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.531 -2.810 -7.779 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.134 -2.498 -8.058 1.00 0.00 C ATOM 1428 C GLU A 92 -1.938 -1.548 -9.245 1.00 0.00 C ATOM 1429 O GLU A 92 -0.903 -0.879 -9.314 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.232 -3.746 -8.111 1.00 0.00 C ATOM 1431 CG GLU A 92 -1.877 -5.140 -7.991 1.00 0.00 C ATOM 1432 CD GLU A 92 -0.814 -6.245 -7.939 1.00 0.00 C ATOM 1433 OE1 GLU A 92 0.288 -6.045 -7.370 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -1.169 -7.402 -8.242 1.00 0.00 O ATOM 0 H GLU A 92 -4.010 -3.283 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.791 -1.931 -7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.685 -3.717 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.496 -3.654 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.492 -5.182 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.540 -5.310 -8.839 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.929 -1.412 -10.133 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.855 -0.475 -11.244 1.00 0.00 C ATOM 1443 C GLY A 93 -3.136 0.933 -10.753 1.00 0.00 C ATOM 1444 O GLY A 93 -2.233 1.679 -10.375 1.00 0.00 O ATOM 0 H GLY A 93 -3.797 -1.947 -10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.867 -0.519 -11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.576 -0.752 -12.013 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.405 1.317 -10.780 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.853 2.660 -10.461 1.00 0.00 C ATOM 1450 C GLU A 94 -5.377 2.756 -9.033 1.00 0.00 C ATOM 1451 O GLU A 94 -5.413 3.859 -8.499 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.892 3.070 -11.505 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.224 3.321 -12.842 1.00 0.00 C ATOM 1454 CD GLU A 94 -4.420 4.625 -12.920 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -5.019 5.722 -12.901 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -3.165 4.542 -12.985 1.00 0.00 O ATOM 0 H GLU A 94 -5.167 0.687 -11.030 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.015 3.356 -10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.643 2.287 -11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.412 3.970 -11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.559 2.486 -13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.989 3.334 -13.619 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.699 1.634 -8.383 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.201 1.573 -7.009 1.00 0.00 C ATOM 1465 C GLY A 95 -5.104 1.600 -5.937 1.00 0.00 C ATOM 1466 O GLY A 95 -5.287 1.002 -4.877 1.00 0.00 O ATOM 0 H GLY A 95 -5.614 0.713 -8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.876 2.412 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.789 0.663 -6.889 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.965 2.266 -6.180 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.972 2.510 -5.128 1.00 0.00 C ATOM 1472 C TRP A 96 -3.482 3.565 -4.141 1.00 0.00 C ATOM 1473 O TRP A 96 -4.435 4.283 -4.440 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.615 2.908 -5.722 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.558 4.121 -6.601 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -1.873 4.120 -7.914 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.130 5.492 -6.292 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -1.722 5.389 -8.427 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.297 6.278 -7.468 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.650 6.170 -5.146 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.056 7.656 -7.490 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.415 7.567 -5.158 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.600 8.303 -6.337 1.00 0.00 C ATOM 0 H TRP A 96 -3.711 2.643 -7.093 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.823 1.579 -4.580 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.921 3.062 -4.895 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.242 2.061 -6.298 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.194 3.256 -8.476 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.903 5.639 -9.399 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.459 5.610 -4.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.222 8.219 -8.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.092 8.067 -4.256 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.392 9.363 -6.355 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.840 3.667 -2.974 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.249 4.567 -1.897 1.00 0.00 C ATOM 1496 C LEU A 97 -2.359 5.813 -1.938 1.00 0.00 C ATOM 1497 O LEU A 97 -2.825 6.908 -2.250 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.159 3.860 -0.527 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.055 2.607 -0.361 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.322 1.540 0.447 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.347 2.886 0.426 1.00 0.00 C ATOM 0 H LEU A 97 -2.010 3.118 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.289 4.861 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.123 3.569 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.421 4.578 0.250 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.293 2.291 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.961 0.664 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.405 1.257 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.075 1.935 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.929 1.968 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.095 3.245 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.934 3.643 -0.094 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.063 5.656 -1.646 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.102 6.753 -1.588 1.00 0.00 C ATOM 1515 C PHE A 98 1.254 6.317 -2.146 1.00 0.00 C ATOM 1516 O PHE A 98 1.478 5.133 -2.418 1.00 0.00 O ATOM 1517 CB PHE A 98 0.004 7.281 -0.148 1.00 0.00 C ATOM 1518 CG PHE A 98 0.521 6.289 0.883 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.904 6.065 1.026 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.377 5.628 1.739 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.384 5.202 2.025 1.00 0.00 C ATOM 1522 CE2 PHE A 98 0.107 4.768 2.743 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.484 4.549 2.880 1.00 0.00 C ATOM 0 H PHE A 98 -0.650 4.746 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.453 7.572 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.659 8.152 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.982 7.624 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.599 6.559 0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.440 5.780 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.446 5.041 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.585 4.276 3.410 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.852 3.879 3.643 1.00 0.00 H new ATOM 1533 N LYS A 99 2.185 7.263 -2.290 1.00 0.00 N ATOM 1534 CA LYS A 99 3.584 6.986 -2.593 1.00 0.00 C ATOM 1535 C LYS A 99 4.466 7.635 -1.545 1.00 0.00 C ATOM 1536 O LYS A 99 4.089 8.635 -0.924 1.00 0.00 O ATOM 1537 CB LYS A 99 4.002 7.503 -3.971 1.00 0.00 C ATOM 1538 CG LYS A 99 3.116 7.020 -5.125 1.00 0.00 C ATOM 1539 CD LYS A 99 3.706 7.353 -6.498 1.00 0.00 C ATOM 1540 CE LYS A 99 2.749 6.900 -7.612 1.00 0.00 C ATOM 1541 NZ LYS A 99 2.997 7.629 -8.871 1.00 0.00 N ATOM 0 H LYS A 99 1.981 8.258 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 99 3.702 5.902 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.994 8.593 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.030 7.195 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.977 5.942 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.130 7.476 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.883 8.426 -6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.672 6.861 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.867 5.830 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.719 7.061 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.356 7.274 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.827 8.644 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.983 7.483 -9.168 1.00 0.00 H new ATOM 1555 N MET A 100 5.653 7.076 -1.365 1.00 0.00 N ATOM 1556 CA MET A 100 6.586 7.478 -0.334 1.00 0.00 C ATOM 1557 C MET A 100 8.005 7.458 -0.867 1.00 0.00 C ATOM 1558 O MET A 100 8.365 6.577 -1.645 1.00 0.00 O ATOM 1559 CB MET A 100 6.468 6.571 0.893 1.00 0.00 C ATOM 1560 CG MET A 100 6.034 5.115 0.630 1.00 0.00 C ATOM 1561 SD MET A 100 6.252 3.942 2.008 1.00 0.00 S ATOM 1562 CE MET A 100 6.640 5.042 3.399 1.00 0.00 C ATOM 0 H MET A 100 5.998 6.313 -1.947 1.00 0.00 H new ATOM 0 HA MET A 100 6.339 8.496 -0.032 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.433 6.554 1.399 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.754 7.021 1.583 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.981 5.118 0.348 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.593 4.742 -0.228 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.516 4.500 4.337 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.670 5.388 3.313 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.967 5.899 3.384 1.00 0.00 H new ATOM 1572 N GLU A 101 8.792 8.434 -0.430 1.00 0.00 N ATOM 1573 CA GLU A 101 10.192 8.614 -0.753 1.00 0.00 C ATOM 1574 C GLU A 101 10.996 7.685 0.158 1.00 0.00 C ATOM 1575 O GLU A 101 10.972 7.831 1.388 1.00 0.00 O ATOM 1576 CB GLU A 101 10.534 10.094 -0.561 1.00 0.00 C ATOM 1577 CG GLU A 101 11.849 10.494 -1.230 1.00 0.00 C ATOM 1578 CD GLU A 101 11.961 12.024 -1.197 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.268 12.587 -0.123 1.00 0.00 O ATOM 1580 OE2 GLU A 101 11.663 12.651 -2.243 1.00 0.00 O ATOM 0 H GLU A 101 8.444 9.161 0.196 1.00 0.00 H new ATOM 0 HA GLU A 101 10.430 8.357 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.726 10.704 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.594 10.312 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.693 10.040 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.877 10.133 -2.258 1.00 0.00 H new ATOM 1587 N ILE A 102 11.648 6.688 -0.441 1.00 0.00 N ATOM 1588 CA ILE A 102 12.263 5.576 0.269 1.00 0.00 C ATOM 1589 C ILE A 102 13.572 6.017 0.917 1.00 0.00 C ATOM 1590 O ILE A 102 14.581 6.185 0.227 1.00 0.00 O ATOM 1591 CB ILE A 102 12.418 4.341 -0.649 1.00 0.00 C ATOM 1592 CG1 ILE A 102 12.978 4.636 -2.053 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.048 3.663 -0.811 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.585 3.406 -2.727 1.00 0.00 C ATOM 0 H ILE A 102 11.763 6.634 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 102 11.603 5.263 1.078 1.00 0.00 H new ATOM 0 HB ILE A 102 13.150 3.701 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.179 5.030 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.738 5.414 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.148 2.791 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.679 3.351 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.345 4.366 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.962 3.680 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.405 3.025 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.822 2.635 -2.832 1.00 0.00 H new ATOM 1606 N SER A 103 13.564 6.244 2.233 1.00 0.00 N ATOM 1607 CA SER A 103 14.777 6.525 3.004 1.00 0.00 C ATOM 1608 C SER A 103 15.782 5.377 2.921 1.00 0.00 C ATOM 1609 O SER A 103 16.988 5.619 2.843 1.00 0.00 O ATOM 1610 CB SER A 103 14.412 6.802 4.469 1.00 0.00 C ATOM 1611 OG SER A 103 14.247 8.193 4.684 1.00 0.00 O ATOM 0 H SER A 103 12.713 6.238 2.795 1.00 0.00 H new ATOM 0 HA SER A 103 15.249 7.407 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.492 6.276 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.194 6.417 5.124 1.00 0.00 H new ATOM 0 HG SER A 103 14.013 8.354 5.622 1.00 0.00 H new ATOM 1617 N ASP A 104 15.304 4.137 2.921 1.00 0.00 N ATOM 1618 CA ASP A 104 16.129 2.961 3.105 1.00 0.00 C ATOM 1619 C ASP A 104 15.649 1.884 2.153 1.00 0.00 C ATOM 1620 O ASP A 104 14.751 1.103 2.467 1.00 0.00 O ATOM 1621 CB ASP A 104 16.101 2.497 4.571 1.00 0.00 C ATOM 1622 CG ASP A 104 17.095 3.297 5.405 1.00 0.00 C ATOM 1623 OD1 ASP A 104 18.309 3.157 5.124 1.00 0.00 O ATOM 1624 OD2 ASP A 104 16.678 4.078 6.290 1.00 0.00 O ATOM 0 H ASP A 104 14.315 3.924 2.791 1.00 0.00 H new ATOM 0 HA ASP A 104 17.170 3.192 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 104 15.097 2.618 4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.342 1.435 4.627 1.00 0.00 H new ATOM 1629 N GLU A 105 16.266 1.818 0.975 1.00 0.00 N ATOM 1630 CA GLU A 105 16.107 0.710 0.049 1.00 0.00 C ATOM 1631 C GLU A 105 16.706 -0.585 0.664 1.00 0.00 C ATOM 1632 O GLU A 105 16.465 -1.698 0.196 1.00 0.00 O ATOM 1633 CB GLU A 105 16.752 1.168 -1.271 1.00 0.00 C ATOM 1634 CG GLU A 105 17.479 0.092 -2.063 1.00 0.00 C ATOM 1635 CD GLU A 105 18.345 0.705 -3.151 1.00 0.00 C ATOM 1636 OE1 GLU A 105 17.842 1.514 -3.970 1.00 0.00 O ATOM 1637 OE2 GLU A 105 19.557 0.388 -3.204 1.00 0.00 O ATOM 0 H GLU A 105 16.897 2.544 0.637 1.00 0.00 H new ATOM 0 HA GLU A 105 15.067 0.452 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.974 1.595 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.458 1.968 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.099 -0.502 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.753 -0.587 -2.511 1.00 0.00 H new ATOM 1644 N GLY A 106 17.465 -0.454 1.751 1.00 0.00 N ATOM 1645 CA GLY A 106 17.974 -1.579 2.504 1.00 0.00 C ATOM 1646 C GLY A 106 16.848 -2.302 3.233 1.00 0.00 C ATOM 1647 O GLY A 106 16.906 -3.525 3.351 1.00 0.00 O ATOM 0 H GLY A 106 17.742 0.451 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.481 -2.272 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.716 -1.234 3.224 1.00 0.00 H new ATOM 1651 N GLU A 107 15.815 -1.580 3.686 1.00 0.00 N ATOM 1652 CA GLU A 107 14.663 -2.176 4.356 1.00 0.00 C ATOM 1653 C GLU A 107 13.763 -2.939 3.365 1.00 0.00 C ATOM 1654 O GLU A 107 12.838 -3.610 3.820 1.00 0.00 O ATOM 1655 CB GLU A 107 13.848 -1.095 5.103 1.00 0.00 C ATOM 1656 CG GLU A 107 14.466 -0.567 6.408 1.00 0.00 C ATOM 1657 CD GLU A 107 13.497 0.313 7.231 1.00 0.00 C ATOM 1658 OE1 GLU A 107 12.535 0.891 6.675 1.00 0.00 O ATOM 1659 OE2 GLU A 107 13.713 0.407 8.471 1.00 0.00 O ATOM 0 H GLU A 107 15.759 -0.566 3.596 1.00 0.00 H new ATOM 0 HA GLU A 107 15.041 -2.895 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.697 -0.252 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.863 -1.503 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 107 14.786 -1.412 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.359 0.011 6.171 1.00 0.00 H new ATOM 1666 N LEU A 108 13.993 -2.865 2.040 1.00 0.00 N ATOM 1667 CA LEU A 108 13.184 -3.607 1.064 1.00 0.00 C ATOM 1668 C LEU A 108 13.401 -5.112 1.191 1.00 0.00 C ATOM 1669 O LEU A 108 12.542 -5.891 0.788 1.00 0.00 O ATOM 1670 CB LEU A 108 13.529 -3.269 -0.398 1.00 0.00 C ATOM 1671 CG LEU A 108 13.416 -1.821 -0.881 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.473 -1.786 -2.406 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.210 -1.060 -0.362 1.00 0.00 C ATOM 0 H LEU A 108 14.733 -2.298 1.625 1.00 0.00 H new ATOM 0 HA LEU A 108 12.159 -3.314 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.554 -3.594 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.887 -3.877 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 108 14.270 -1.294 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.392 -0.755 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.419 -2.208 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.648 -2.370 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.221 -0.046 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.297 -1.565 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.245 -1.022 0.727 1.00 0.00 H new ATOM 1685 N GLU A 109 14.567 -5.527 1.673 1.00 0.00 N ATOM 1686 CA GLU A 109 15.002 -6.913 1.590 1.00 0.00 C ATOM 1687 C GLU A 109 14.306 -7.758 2.669 1.00 0.00 C ATOM 1688 O GLU A 109 14.022 -8.940 2.463 1.00 0.00 O ATOM 1689 CB GLU A 109 16.537 -6.938 1.683 1.00 0.00 C ATOM 1690 CG GLU A 109 17.178 -6.130 0.529 1.00 0.00 C ATOM 1691 CD GLU A 109 18.706 -6.204 0.442 1.00 0.00 C ATOM 1692 OE1 GLU A 109 19.327 -7.037 1.137 1.00 0.00 O ATOM 1693 OE2 GLU A 109 19.275 -5.399 -0.343 1.00 0.00 O ATOM 0 H GLU A 109 15.237 -4.910 2.132 1.00 0.00 H new ATOM 0 HA GLU A 109 14.716 -7.362 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.853 -6.524 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.890 -7.969 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.760 -6.483 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.888 -5.085 0.635 1.00 0.00 H new ATOM 1700 N ASP A 110 13.970 -7.107 3.785 1.00 0.00 N ATOM 1701 CA ASP A 110 13.225 -7.592 4.950 1.00 0.00 C ATOM 1702 C ASP A 110 11.744 -7.860 4.628 1.00 0.00 C ATOM 1703 O ASP A 110 11.044 -8.588 5.338 1.00 0.00 O ATOM 1704 CB ASP A 110 13.359 -6.483 6.003 1.00 0.00 C ATOM 1705 CG ASP A 110 12.676 -6.735 7.350 1.00 0.00 C ATOM 1706 OD1 ASP A 110 11.443 -6.544 7.463 1.00 0.00 O ATOM 1707 OD2 ASP A 110 13.401 -6.860 8.366 1.00 0.00 O ATOM 0 H ASP A 110 14.239 -6.131 3.908 1.00 0.00 H new ATOM 0 HA ASP A 110 13.623 -8.546 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.420 -6.312 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.955 -5.562 5.582 1.00 0.00 H new ATOM 1712 N LEU A 111 11.252 -7.272 3.535 1.00 0.00 N ATOM 1713 CA LEU A 111 9.923 -7.496 2.983 1.00 0.00 C ATOM 1714 C LEU A 111 9.867 -8.867 2.321 1.00 0.00 C ATOM 1715 O LEU A 111 10.760 -9.705 2.463 1.00 0.00 O ATOM 1716 CB LEU A 111 9.603 -6.384 1.970 1.00 0.00 C ATOM 1717 CG LEU A 111 9.738 -4.942 2.470 1.00 0.00 C ATOM 1718 CD1 LEU A 111 9.285 -3.998 1.352 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.891 -4.701 3.718 1.00 0.00 C ATOM 0 H LEU A 111 11.794 -6.600 2.992 1.00 0.00 H new ATOM 0 HA LEU A 111 9.179 -7.470 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.259 -6.509 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.582 -6.528 1.617 1.00 0.00 H new ATOM 0 HG LEU A 111 10.779 -4.757 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.374 -2.965 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.912 -4.148 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.246 -4.208 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.011 -3.668 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.842 -4.889 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.215 -5.373 4.513 1.00 0.00 H new ATOM 1731 N LEU A 112 8.780 -9.130 1.603 1.00 0.00 N ATOM 1732 CA LEU A 112 8.484 -10.437 1.066 1.00 0.00 C ATOM 1733 C LEU A 112 8.606 -10.388 -0.439 1.00 0.00 C ATOM 1734 O LEU A 112 8.024 -9.516 -1.096 1.00 0.00 O ATOM 1735 CB LEU A 112 7.070 -10.848 1.472 1.00 0.00 C ATOM 1736 CG LEU A 112 6.827 -10.796 2.986 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.365 -11.119 3.238 1.00 0.00 C ATOM 1738 CD2 LEU A 112 7.731 -11.747 3.775 1.00 0.00 C ATOM 0 H LEU A 112 8.076 -8.427 1.379 1.00 0.00 H new ATOM 0 HA LEU A 112 9.187 -11.171 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.354 -10.194 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.878 -11.860 1.116 1.00 0.00 H new ATOM 0 HG LEU A 112 7.074 -9.795 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.165 -11.089 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.738 -10.386 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.141 -12.115 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.509 -11.662 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.554 -12.772 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.775 -11.486 3.600 1.00 0.00 H new ATOM 1750 N ASP A 113 9.308 -11.377 -0.979 1.00 0.00 N ATOM 1751 CA ASP A 113 9.139 -11.780 -2.363 1.00 0.00 C ATOM 1752 C ASP A 113 7.688 -12.223 -2.555 1.00 0.00 C ATOM 1753 O ASP A 113 6.959 -12.511 -1.605 1.00 0.00 O ATOM 1754 CB ASP A 113 10.078 -12.939 -2.713 1.00 0.00 C ATOM 1755 CG ASP A 113 11.559 -12.565 -2.714 1.00 0.00 C ATOM 1756 OD1 ASP A 113 11.927 -11.483 -3.225 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.373 -13.395 -2.247 1.00 0.00 O ATOM 0 H ASP A 113 10.007 -11.918 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 113 9.379 -10.942 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.919 -13.748 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.811 -13.324 -3.697 1.00 0.00 H new ATOM 1762 N GLU A 114 7.266 -12.341 -3.802 1.00 0.00 N ATOM 1763 CA GLU A 114 5.912 -12.705 -4.169 1.00 0.00 C ATOM 1764 C GLU A 114 5.638 -14.144 -3.757 1.00 0.00 C ATOM 1765 O GLU A 114 4.622 -14.404 -3.118 1.00 0.00 O ATOM 1766 CB GLU A 114 5.712 -12.508 -5.671 1.00 0.00 C ATOM 1767 CG GLU A 114 4.220 -12.604 -6.009 1.00 0.00 C ATOM 1768 CD GLU A 114 3.979 -12.189 -7.456 1.00 0.00 C ATOM 1769 OE1 GLU A 114 4.449 -12.896 -8.368 1.00 0.00 O ATOM 1770 OE2 GLU A 114 3.278 -11.169 -7.669 1.00 0.00 O ATOM 0 H GLU A 114 7.873 -12.182 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 114 5.203 -12.062 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.102 -11.537 -5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.270 -13.264 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.869 -13.624 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.646 -11.964 -5.339 1.00 0.00 H new ATOM 1777 N GLN A 115 6.554 -15.070 -4.058 1.00 0.00 N ATOM 1778 CA GLN A 115 6.383 -16.468 -3.705 1.00 0.00 C ATOM 1779 C GLN A 115 6.318 -16.660 -2.182 1.00 0.00 C ATOM 1780 O GLN A 115 5.594 -17.530 -1.692 1.00 0.00 O ATOM 1781 CB GLN A 115 7.522 -17.292 -4.320 1.00 0.00 C ATOM 1782 CG GLN A 115 6.990 -18.694 -4.598 1.00 0.00 C ATOM 1783 CD GLN A 115 8.081 -19.678 -4.980 1.00 0.00 C ATOM 1784 OE1 GLN A 115 8.673 -19.576 -6.053 1.00 0.00 O ATOM 1785 NE2 GLN A 115 8.330 -20.683 -4.161 1.00 0.00 N ATOM 0 H GLN A 115 7.425 -14.866 -4.549 1.00 0.00 H new ATOM 0 HA GLN A 115 5.433 -16.818 -4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.874 -16.828 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.372 -17.335 -3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.471 -19.062 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 115 6.255 -18.645 -5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 115 7.831 -20.754 -3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 115 9.022 -21.388 -4.415 1.00 0.00 H new ATOM 1794 N ALA A 116 7.050 -15.834 -1.429 1.00 0.00 N ATOM 1795 CA ALA A 116 6.966 -15.785 0.022 1.00 0.00 C ATOM 1796 C ALA A 116 5.615 -15.215 0.460 1.00 0.00 C ATOM 1797 O ALA A 116 4.992 -15.733 1.386 1.00 0.00 O ATOM 1798 CB ALA A 116 8.113 -14.934 0.573 1.00 0.00 C ATOM 0 H ALA A 116 7.723 -15.175 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 116 7.052 -16.796 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.049 -14.898 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.066 -15.374 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.041 -13.923 0.172 1.00 0.00 H new ATOM 1804 N TYR A 117 5.140 -14.152 -0.197 1.00 0.00 N ATOM 1805 CA TYR A 117 3.848 -13.557 0.136 1.00 0.00 C ATOM 1806 C TYR A 117 2.675 -14.499 -0.190 1.00 0.00 C ATOM 1807 O TYR A 117 1.660 -14.505 0.512 1.00 0.00 O ATOM 1808 CB TYR A 117 3.719 -12.202 -0.567 1.00 0.00 C ATOM 1809 CG TYR A 117 2.338 -11.594 -0.452 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.775 -11.366 0.818 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.577 -11.357 -1.612 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.430 -10.984 0.935 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.238 -10.947 -1.506 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.351 -10.799 -0.226 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.672 -10.500 -0.103 1.00 0.00 O ATOM 0 H TYR A 117 5.632 -13.689 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 117 3.802 -13.396 1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.448 -11.511 -0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 117 3.968 -12.323 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.380 -11.485 1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.024 -11.491 -2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.007 -10.832 1.911 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -0.340 -10.746 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.860 -10.219 0.817 1.00 0.00 H new ATOM 1825 N GLN A 118 2.803 -15.317 -1.232 1.00 0.00 N ATOM 1826 CA GLN A 118 1.914 -16.427 -1.558 1.00 0.00 C ATOM 1827 C GLN A 118 1.801 -17.343 -0.338 1.00 0.00 C ATOM 1828 O GLN A 118 0.704 -17.583 0.167 1.00 0.00 O ATOM 1829 CB GLN A 118 2.435 -17.122 -2.849 1.00 0.00 C ATOM 1830 CG GLN A 118 2.527 -18.660 -2.822 1.00 0.00 C ATOM 1831 CD GLN A 118 3.114 -19.269 -4.093 1.00 0.00 C ATOM 1832 OE1 GLN A 118 2.718 -18.942 -5.205 1.00 0.00 O ATOM 1833 NE2 GLN A 118 4.075 -20.174 -3.960 1.00 0.00 N ATOM 0 H GLN A 118 3.565 -15.219 -1.903 1.00 0.00 H new ATOM 0 HA GLN A 118 0.900 -16.095 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.784 -16.835 -3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.426 -16.726 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.137 -18.962 -1.971 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.530 -19.071 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 118 4.399 -20.441 -3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.490 -20.603 -4.787 1.00 0.00 H new ATOM 1842 N GLU A 119 2.945 -17.827 0.138 1.00 0.00 N ATOM 1843 CA GLU A 119 3.043 -18.838 1.175 1.00 0.00 C ATOM 1844 C GLU A 119 2.462 -18.310 2.479 1.00 0.00 C ATOM 1845 O GLU A 119 1.670 -18.990 3.129 1.00 0.00 O ATOM 1846 CB GLU A 119 4.516 -19.232 1.347 1.00 0.00 C ATOM 1847 CG GLU A 119 4.662 -20.752 1.460 1.00 0.00 C ATOM 1848 CD GLU A 119 6.120 -21.173 1.606 1.00 0.00 C ATOM 1849 OE1 GLU A 119 7.007 -20.530 1.005 1.00 0.00 O ATOM 1850 OE2 GLU A 119 6.369 -22.184 2.304 1.00 0.00 O ATOM 0 H GLU A 119 3.855 -17.514 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 119 2.470 -19.720 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.096 -18.868 0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.923 -18.756 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.093 -21.109 2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.234 -21.225 0.576 1.00 0.00 H new