USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=21 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 25 THR OG1 : rot 167:sc= 1.24 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 1.06 USER MOD Set 2.1: A 4 LYS NZ :NH3+ -137:sc= 0.467 (180deg=-1.01) USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0.241 USER MOD Single : A 3 MET CE :methyl 163:sc= -0.0315 (180deg=-0.378) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -48:sc= 0.0274 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -42:sc= 0.33 USER MOD Single : A 10 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00877 USER MOD Single : A 26 ASN : amide:sc=-0.00743 X(o=-0.0074,f=-0.26) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.81 K(o=0.81,f=-3.4!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.28) 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+ 179:sc= 1.21 (180deg=1.21) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0871 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0086) USER MOD Single : A 66 TYR OH : rot 141:sc= 0.936 USER MOD Single : A 70 SER OG : rot 37:sc= 1.27 USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= 0.615 (180deg=0.293) USER MOD Single : A 77 ASN : amide:sc= -0.817 K(o=-0.82,f=-3.3) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0016) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 1.04 (180deg=0.718) USER MOD Single : A 100 MET CE :methyl -154:sc= -0.505 (180deg=-1.43) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 11.193 -2.303 -8.677 1.00 0.00 N ATOM 41 CA MET A 3 11.379 -3.095 -7.475 1.00 0.00 C ATOM 42 C MET A 3 10.066 -3.096 -6.702 1.00 0.00 C ATOM 43 O MET A 3 9.519 -2.033 -6.400 1.00 0.00 O ATOM 44 CB MET A 3 12.513 -2.448 -6.673 1.00 0.00 C ATOM 45 CG MET A 3 12.619 -2.904 -5.222 1.00 0.00 C ATOM 46 SD MET A 3 12.973 -4.661 -5.029 1.00 0.00 S ATOM 47 CE MET A 3 14.689 -4.648 -5.616 1.00 0.00 C ATOM 0 HA MET A 3 11.646 -4.129 -7.692 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.458 -2.659 -7.174 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.378 -1.367 -6.689 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.403 -2.330 -4.728 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.684 -2.674 -4.710 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.188 -5.564 -5.301 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.701 -4.584 -6.704 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.211 -3.788 -5.196 1.00 0.00 H new ATOM 57 N LYS A 4 9.537 -4.272 -6.376 1.00 0.00 N ATOM 58 CA LYS A 4 8.246 -4.420 -5.707 1.00 0.00 C ATOM 59 C LYS A 4 8.352 -5.445 -4.589 1.00 0.00 C ATOM 60 O LYS A 4 8.513 -6.638 -4.846 1.00 0.00 O ATOM 61 CB LYS A 4 7.143 -4.716 -6.740 1.00 0.00 C ATOM 62 CG LYS A 4 5.819 -5.197 -6.116 1.00 0.00 C ATOM 63 CD LYS A 4 4.568 -5.112 -7.008 1.00 0.00 C ATOM 64 CE LYS A 4 4.230 -3.722 -7.561 1.00 0.00 C ATOM 65 NZ LYS A 4 4.878 -3.464 -8.867 1.00 0.00 N ATOM 0 H LYS A 4 9.998 -5.161 -6.571 1.00 0.00 H new ATOM 0 HA LYS A 4 7.957 -3.485 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.953 -3.815 -7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.503 -5.475 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.946 -6.234 -5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.635 -4.613 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.698 -5.794 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.713 -5.471 -6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.149 -3.630 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.545 -2.962 -6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.263 -2.498 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.650 -4.146 -9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.177 -3.567 -9.629 1.00 0.00 H new ATOM 79 N LYS A 5 8.288 -4.974 -3.344 1.00 0.00 N ATOM 80 CA LYS A 5 8.126 -5.815 -2.157 1.00 0.00 C ATOM 81 C LYS A 5 6.695 -5.710 -1.630 1.00 0.00 C ATOM 82 O LYS A 5 5.880 -4.995 -2.216 1.00 0.00 O ATOM 83 CB LYS A 5 9.209 -5.458 -1.126 1.00 0.00 C ATOM 84 CG LYS A 5 10.555 -6.107 -1.495 1.00 0.00 C ATOM 85 CD LYS A 5 10.651 -7.562 -1.008 1.00 0.00 C ATOM 86 CE LYS A 5 12.048 -8.178 -1.106 1.00 0.00 C ATOM 87 NZ LYS A 5 12.583 -8.129 -2.480 1.00 0.00 N ATOM 0 H LYS A 5 8.348 -3.979 -3.127 1.00 0.00 H new ATOM 0 HA LYS A 5 8.271 -6.867 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.325 -4.375 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.899 -5.793 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.686 -6.078 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.368 -5.526 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.321 -7.606 0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.958 -8.172 -1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.725 -7.649 -0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.011 -9.214 -0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.531 -8.557 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.952 -8.656 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.644 -7.139 -2.794 1.00 0.00 H new ATOM 101 N TYR A 6 6.385 -6.456 -0.568 1.00 0.00 N ATOM 102 CA TYR A 6 5.054 -6.656 -0.007 1.00 0.00 C ATOM 103 C TYR A 6 5.167 -6.747 1.517 1.00 0.00 C ATOM 104 O TYR A 6 6.223 -7.115 2.036 1.00 0.00 O ATOM 105 CB TYR A 6 4.459 -7.967 -0.557 1.00 0.00 C ATOM 106 CG TYR A 6 4.326 -8.045 -2.068 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.466 -8.306 -2.846 1.00 0.00 C ATOM 108 CD2 TYR A 6 3.085 -7.847 -2.703 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.397 -8.287 -4.243 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.992 -7.885 -4.106 1.00 0.00 C ATOM 111 CZ TYR A 6 4.156 -8.090 -4.881 1.00 0.00 C ATOM 112 OH TYR A 6 4.108 -8.097 -6.239 1.00 0.00 O ATOM 0 H TYR A 6 7.100 -6.965 -0.049 1.00 0.00 H new ATOM 0 HA TYR A 6 4.407 -5.823 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.082 -8.796 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.473 -8.111 -0.116 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.406 -8.524 -2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.201 -7.665 -2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.293 -8.423 -4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.035 -7.758 -4.589 1.00 0.00 H new ATOM 0 HH TYR A 6 3.185 -7.950 -6.534 1.00 0.00 H new ATOM 122 N THR A 7 4.084 -6.471 2.245 1.00 0.00 N ATOM 123 CA THR A 7 4.035 -6.468 3.692 1.00 0.00 C ATOM 124 C THR A 7 3.184 -7.638 4.174 1.00 0.00 C ATOM 125 O THR A 7 2.552 -8.371 3.408 1.00 0.00 O ATOM 126 CB THR A 7 3.457 -5.133 4.202 1.00 0.00 C ATOM 127 OG1 THR A 7 2.070 -5.063 3.948 1.00 0.00 O ATOM 128 CG2 THR A 7 4.125 -3.906 3.589 1.00 0.00 C ATOM 0 H THR A 7 3.188 -6.236 1.819 1.00 0.00 H new ATOM 0 HA THR A 7 5.045 -6.577 4.088 1.00 0.00 H new ATOM 0 HB THR A 7 3.656 -5.119 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.894 -5.318 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.668 -3.003 3.993 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.188 -3.913 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.996 -3.924 2.507 1.00 0.00 H new ATOM 136 N LYS A 8 3.121 -7.760 5.494 1.00 0.00 N ATOM 137 CA LYS A 8 2.276 -8.730 6.182 1.00 0.00 C ATOM 138 C LYS A 8 0.817 -8.277 6.242 1.00 0.00 C ATOM 139 O LYS A 8 -0.044 -9.068 6.613 1.00 0.00 O ATOM 140 CB LYS A 8 2.812 -9.032 7.593 1.00 0.00 C ATOM 141 CG LYS A 8 4.346 -9.098 7.662 1.00 0.00 C ATOM 142 CD LYS A 8 4.822 -9.661 8.997 1.00 0.00 C ATOM 143 CE LYS A 8 4.405 -11.129 9.073 1.00 0.00 C ATOM 144 NZ LYS A 8 5.544 -12.006 9.404 1.00 0.00 N ATOM 0 H LYS A 8 3.666 -7.177 6.129 1.00 0.00 H new ATOM 0 HA LYS A 8 2.308 -9.651 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.457 -8.264 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.399 -9.981 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.721 -9.720 6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.761 -8.100 7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.905 -9.569 9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.387 -9.099 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.625 -11.247 9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.976 -11.435 8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.221 -12.994 9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.278 -11.913 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.938 -11.731 10.326 1.00 0.00 H new ATOM 158 N THR A 9 0.492 -7.040 5.871 1.00 0.00 N ATOM 159 CA THR A 9 -0.861 -6.498 5.949 1.00 0.00 C ATOM 160 C THR A 9 -1.421 -6.345 4.535 1.00 0.00 C ATOM 161 O THR A 9 -2.102 -5.364 4.234 1.00 0.00 O ATOM 162 CB THR A 9 -0.853 -5.239 6.838 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.138 -4.696 6.990 1.00 0.00 O ATOM 164 CG2 THR A 9 0.089 -4.147 6.331 1.00 0.00 C ATOM 0 H THR A 9 1.173 -6.376 5.502 1.00 0.00 H new ATOM 0 HA THR A 9 -1.560 -7.172 6.445 1.00 0.00 H new ATOM 0 HB THR A 9 -0.485 -5.583 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.605 -4.714 6.129 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.046 -3.289 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.108 -4.532 6.298 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.215 -3.840 5.330 1.00 0.00 H new ATOM 172 N HIS A 10 -1.172 -7.355 3.683 1.00 0.00 N ATOM 173 CA HIS A 10 -1.708 -7.462 2.327 1.00 0.00 C ATOM 174 C HIS A 10 -1.594 -6.120 1.592 1.00 0.00 C ATOM 175 O HIS A 10 -2.587 -5.565 1.115 1.00 0.00 O ATOM 176 CB HIS A 10 -3.109 -8.107 2.339 1.00 0.00 C ATOM 177 CG HIS A 10 -3.987 -7.759 3.510 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.653 -6.562 3.663 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.238 -8.541 4.605 1.00 0.00 C ATOM 180 CE1 HIS A 10 -5.361 -6.641 4.801 1.00 0.00 C ATOM 181 NE2 HIS A 10 -5.133 -7.836 5.384 1.00 0.00 N ATOM 0 H HIS A 10 -0.572 -8.141 3.933 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.102 -8.149 1.736 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.627 -7.819 1.424 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.989 -9.190 2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.820 -9.514 4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.010 -5.870 5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.552 -8.164 6.254 1.00 0.00 H new ATOM 190 N GLU A 11 -0.373 -5.589 1.554 1.00 0.00 N ATOM 191 CA GLU A 11 0.026 -4.352 0.910 1.00 0.00 C ATOM 192 C GLU A 11 1.257 -4.658 0.047 1.00 0.00 C ATOM 193 O GLU A 11 2.096 -5.495 0.407 1.00 0.00 O ATOM 194 CB GLU A 11 0.325 -3.297 1.985 1.00 0.00 C ATOM 195 CG GLU A 11 0.025 -1.842 1.635 1.00 0.00 C ATOM 196 CD GLU A 11 0.862 -0.926 2.534 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.821 -1.062 3.772 1.00 0.00 O ATOM 198 OE2 GLU A 11 1.669 -0.167 1.949 1.00 0.00 O ATOM 0 H GLU A 11 0.416 -6.050 2.007 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.764 -3.952 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.244 -3.554 2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.380 -3.371 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.256 -1.652 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.036 -1.634 1.771 1.00 0.00 H new ATOM 205 N TRP A 12 1.364 -3.985 -1.093 1.00 0.00 N ATOM 206 CA TRP A 12 2.488 -4.029 -2.029 1.00 0.00 C ATOM 207 C TRP A 12 3.131 -2.648 -2.147 1.00 0.00 C ATOM 208 O TRP A 12 2.496 -1.643 -1.820 1.00 0.00 O ATOM 209 CB TRP A 12 2.004 -4.518 -3.396 1.00 0.00 C ATOM 210 CG TRP A 12 0.950 -3.683 -4.056 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.379 -3.910 -3.963 1.00 0.00 C ATOM 212 CD2 TRP A 12 1.092 -2.518 -4.931 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.065 -2.993 -4.720 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.206 -2.161 -5.394 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.166 -1.744 -5.423 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.422 -1.185 -6.373 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.954 -0.718 -6.363 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.670 -0.454 -6.864 1.00 0.00 C ATOM 0 H TRP A 12 0.626 -3.356 -1.410 1.00 0.00 H new ATOM 0 HA TRP A 12 3.239 -4.724 -1.654 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.863 -4.577 -4.064 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.618 -5.531 -3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.834 -4.697 -3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.082 -2.937 -4.775 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.168 -1.943 -5.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.418 -0.997 -6.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.791 -0.126 -6.703 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.524 0.304 -7.619 1.00 0.00 H new ATOM 229 N VAL A 13 4.378 -2.604 -2.615 1.00 0.00 N ATOM 230 CA VAL A 13 5.240 -1.428 -2.689 1.00 0.00 C ATOM 231 C VAL A 13 5.784 -1.344 -4.125 1.00 0.00 C ATOM 232 O VAL A 13 5.944 -2.377 -4.763 1.00 0.00 O ATOM 233 CB VAL A 13 6.426 -1.592 -1.696 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.980 -0.228 -1.343 1.00 0.00 C ATOM 235 CG2 VAL A 13 6.130 -2.277 -0.354 1.00 0.00 C ATOM 0 H VAL A 13 4.840 -3.440 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 13 4.686 -0.525 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 13 7.110 -2.243 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.811 -0.342 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.330 0.268 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.198 0.373 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.043 -2.325 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.375 -1.706 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.761 -3.287 -0.534 1.00 0.00 H new ATOM 245 N SER A 14 6.124 -0.160 -4.636 1.00 0.00 N ATOM 246 CA SER A 14 6.694 -0.007 -5.974 1.00 0.00 C ATOM 247 C SER A 14 7.752 1.068 -6.039 1.00 0.00 C ATOM 248 O SER A 14 7.498 2.220 -6.394 1.00 0.00 O ATOM 249 CB SER A 14 5.601 0.280 -6.990 1.00 0.00 C ATOM 250 OG SER A 14 5.326 -0.876 -7.742 1.00 0.00 O ATOM 0 H SER A 14 6.012 0.720 -4.133 1.00 0.00 H new ATOM 0 HA SER A 14 7.179 -0.953 -6.215 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.698 0.615 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.912 1.089 -7.652 1.00 0.00 H new ATOM 0 HG SER A 14 4.619 -0.682 -8.393 1.00 0.00 H new ATOM 256 N ILE A 15 8.955 0.659 -5.680 1.00 0.00 N ATOM 257 CA ILE A 15 10.167 1.409 -5.861 1.00 0.00 C ATOM 258 C ILE A 15 10.443 1.418 -7.361 1.00 0.00 C ATOM 259 O ILE A 15 10.380 0.386 -8.032 1.00 0.00 O ATOM 260 CB ILE A 15 11.275 0.742 -5.012 1.00 0.00 C ATOM 261 CG1 ILE A 15 11.016 0.967 -3.518 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.681 1.249 -5.364 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.155 -0.113 -2.851 1.00 0.00 C ATOM 0 H ILE A 15 9.112 -0.246 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 15 10.108 2.444 -5.524 1.00 0.00 H new ATOM 0 HB ILE A 15 11.239 -0.323 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.974 1.021 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.529 1.933 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.417 0.746 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.892 1.037 -6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.733 2.324 -5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.023 0.127 -1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.181 -0.154 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.648 -1.081 -2.944 1.00 0.00 H new ATOM 275 N GLU A 16 10.741 2.602 -7.880 1.00 0.00 N ATOM 276 CA GLU A 16 11.351 2.772 -9.188 1.00 0.00 C ATOM 277 C GLU A 16 12.663 3.496 -8.885 1.00 0.00 C ATOM 278 O GLU A 16 13.588 2.882 -8.355 1.00 0.00 O ATOM 279 CB GLU A 16 10.367 3.496 -10.121 1.00 0.00 C ATOM 280 CG GLU A 16 10.889 3.757 -11.547 1.00 0.00 C ATOM 281 CD GLU A 16 10.671 2.609 -12.538 1.00 0.00 C ATOM 282 OE1 GLU A 16 9.936 1.644 -12.225 1.00 0.00 O ATOM 283 OE2 GLU A 16 11.150 2.722 -13.690 1.00 0.00 O ATOM 0 H GLU A 16 10.563 3.482 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 16 11.575 1.855 -9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.453 2.906 -10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.098 4.451 -9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.403 4.651 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.956 3.972 -11.493 1.00 0.00 H new ATOM 290 N ASP A 17 12.682 4.817 -9.075 1.00 0.00 N ATOM 291 CA ASP A 17 13.772 5.731 -8.759 1.00 0.00 C ATOM 292 C ASP A 17 13.938 5.860 -7.234 1.00 0.00 C ATOM 293 O ASP A 17 14.672 5.076 -6.636 1.00 0.00 O ATOM 294 CB ASP A 17 13.519 7.089 -9.441 1.00 0.00 C ATOM 295 CG ASP A 17 13.259 6.986 -10.941 1.00 0.00 C ATOM 296 OD1 ASP A 17 12.082 6.763 -11.307 1.00 0.00 O ATOM 297 OD2 ASP A 17 14.215 7.173 -11.728 1.00 0.00 O ATOM 0 H ASP A 17 11.883 5.304 -9.480 1.00 0.00 H new ATOM 0 HA ASP A 17 14.712 5.336 -9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.664 7.570 -8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.381 7.735 -9.275 1.00 0.00 H new ATOM 302 N LYS A 18 13.238 6.791 -6.567 1.00 0.00 N ATOM 303 CA LYS A 18 13.370 7.053 -5.120 1.00 0.00 C ATOM 304 C LYS A 18 12.042 7.031 -4.379 1.00 0.00 C ATOM 305 O LYS A 18 12.002 7.315 -3.187 1.00 0.00 O ATOM 306 CB LYS A 18 14.041 8.412 -4.864 1.00 0.00 C ATOM 307 CG LYS A 18 15.380 8.572 -5.590 1.00 0.00 C ATOM 308 CD LYS A 18 16.213 9.713 -4.993 1.00 0.00 C ATOM 309 CE LYS A 18 16.887 9.202 -3.718 1.00 0.00 C ATOM 310 NZ LYS A 18 17.530 10.264 -2.931 1.00 0.00 N ATOM 0 H LYS A 18 12.553 7.394 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 18 13.987 6.240 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.367 9.208 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.199 8.535 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.942 7.640 -5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.200 8.767 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.962 10.051 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.577 10.570 -4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.143 8.701 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.634 8.455 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.967 9.851 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.262 10.728 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.817 10.966 -2.647 1.00 0.00 H new ATOM 324 N VAL A 19 10.956 6.712 -5.063 1.00 0.00 N ATOM 325 CA VAL A 19 9.604 6.809 -4.554 1.00 0.00 C ATOM 326 C VAL A 19 8.978 5.427 -4.718 1.00 0.00 C ATOM 327 O VAL A 19 9.130 4.795 -5.769 1.00 0.00 O ATOM 328 CB VAL A 19 8.865 7.947 -5.289 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.401 8.040 -4.856 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.524 9.311 -5.027 1.00 0.00 C ATOM 0 H VAL A 19 10.996 6.366 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 19 9.554 7.075 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 19 8.922 7.707 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.913 8.852 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.895 7.101 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.350 8.233 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.977 10.088 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.507 9.524 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.556 9.289 -5.376 1.00 0.00 H new ATOM 340 N ALA A 20 8.318 4.959 -3.661 1.00 0.00 N ATOM 341 CA ALA A 20 7.632 3.686 -3.553 1.00 0.00 C ATOM 342 C ALA A 20 6.130 3.917 -3.550 1.00 0.00 C ATOM 343 O ALA A 20 5.589 4.422 -2.562 1.00 0.00 O ATOM 344 CB ALA A 20 8.035 2.993 -2.256 1.00 0.00 C ATOM 0 H ALA A 20 8.247 5.502 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 20 7.906 3.059 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.518 2.037 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.112 2.824 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.764 3.622 -1.408 1.00 0.00 H new ATOM 350 N THR A 21 5.469 3.514 -4.629 1.00 0.00 N ATOM 351 CA THR A 21 4.016 3.481 -4.747 1.00 0.00 C ATOM 352 C THR A 21 3.435 2.290 -3.974 1.00 0.00 C ATOM 353 O THR A 21 3.765 1.148 -4.271 1.00 0.00 O ATOM 354 CB THR A 21 3.648 3.453 -6.244 1.00 0.00 C ATOM 355 OG1 THR A 21 4.350 4.477 -6.926 1.00 0.00 O ATOM 356 CG2 THR A 21 2.150 3.618 -6.502 1.00 0.00 C ATOM 0 H THR A 21 5.944 3.191 -5.472 1.00 0.00 H new ATOM 0 HA THR A 21 3.578 4.374 -4.300 1.00 0.00 H new ATOM 0 HB THR A 21 3.933 2.469 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.116 4.456 -7.877 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.960 3.589 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.606 2.809 -6.015 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.815 4.574 -6.100 1.00 0.00 H new ATOM 364 N VAL A 22 2.634 2.546 -2.948 1.00 0.00 N ATOM 365 CA VAL A 22 1.891 1.570 -2.156 1.00 0.00 C ATOM 366 C VAL A 22 0.526 1.262 -2.748 1.00 0.00 C ATOM 367 O VAL A 22 -0.100 2.187 -3.239 1.00 0.00 O ATOM 368 CB VAL A 22 1.786 2.056 -0.685 1.00 0.00 C ATOM 369 CG1 VAL A 22 2.362 3.422 -0.323 1.00 0.00 C ATOM 370 CG2 VAL A 22 0.469 1.838 0.049 1.00 0.00 C ATOM 0 H VAL A 22 2.475 3.500 -2.625 1.00 0.00 H new ATOM 0 HA VAL A 22 2.443 0.630 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 22 2.491 1.318 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.208 3.612 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.429 3.437 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.860 4.194 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.549 2.229 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.331 2.357 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.246 0.772 0.087 1.00 0.00 H new ATOM 380 N GLY A 23 -0.006 0.050 -2.563 1.00 0.00 N ATOM 381 CA GLY A 23 -1.437 -0.251 -2.622 1.00 0.00 C ATOM 382 C GLY A 23 -1.740 -1.511 -1.813 1.00 0.00 C ATOM 383 O GLY A 23 -0.817 -2.258 -1.490 1.00 0.00 O ATOM 0 H GLY A 23 0.565 -0.771 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.010 0.589 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.745 -0.391 -3.658 1.00 0.00 H new ATOM 387 N ILE A 24 -3.004 -1.778 -1.461 1.00 0.00 N ATOM 388 CA ILE A 24 -3.357 -3.084 -0.899 1.00 0.00 C ATOM 389 C ILE A 24 -3.553 -4.095 -2.036 1.00 0.00 C ATOM 390 O ILE A 24 -3.873 -3.732 -3.164 1.00 0.00 O ATOM 391 CB ILE A 24 -4.531 -3.060 0.104 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.732 -2.210 -0.338 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.081 -2.652 1.520 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.062 -2.787 0.180 1.00 0.00 C ATOM 0 H ILE A 24 -3.781 -1.124 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.518 -3.406 -0.282 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.879 -4.093 0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.611 -1.191 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.758 -2.156 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.942 -2.650 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.340 -3.363 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.643 -1.654 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.887 -2.157 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.196 -3.797 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.046 -2.816 1.269 1.00 0.00 H new ATOM 406 N THR A 25 -3.299 -5.370 -1.757 1.00 0.00 N ATOM 407 CA THR A 25 -3.371 -6.465 -2.725 1.00 0.00 C ATOM 408 C THR A 25 -4.805 -6.983 -2.935 1.00 0.00 C ATOM 409 O THR A 25 -5.748 -6.601 -2.230 1.00 0.00 O ATOM 410 CB THR A 25 -2.436 -7.590 -2.254 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.734 -7.916 -0.916 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.960 -7.195 -2.341 1.00 0.00 C ATOM 0 H THR A 25 -3.029 -5.681 -0.824 1.00 0.00 H new ATOM 0 HA THR A 25 -3.051 -6.091 -3.697 1.00 0.00 H new ATOM 0 HB THR A 25 -2.598 -8.443 -2.913 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.292 -8.758 -0.678 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.341 -8.023 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.707 -6.958 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.779 -6.322 -1.714 1.00 0.00 H new ATOM 420 N ASN A 26 -4.981 -7.907 -3.887 1.00 0.00 N ATOM 421 CA ASN A 26 -6.258 -8.586 -4.138 1.00 0.00 C ATOM 422 C ASN A 26 -6.817 -9.262 -2.876 1.00 0.00 C ATOM 423 O ASN A 26 -8.005 -9.109 -2.584 1.00 0.00 O ATOM 424 CB ASN A 26 -6.103 -9.573 -5.302 1.00 0.00 C ATOM 425 CG ASN A 26 -7.233 -10.592 -5.357 1.00 0.00 C ATOM 426 OD1 ASN A 26 -7.135 -11.627 -4.714 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.311 -10.352 -6.081 1.00 0.00 N ATOM 0 H ASN A 26 -4.233 -8.208 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.994 -7.834 -4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.071 -9.020 -6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.151 -10.096 -5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.070 -11.033 -6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.385 -9.486 -6.615 1.00 0.00 H new ATOM 434 N HIS A 27 -5.982 -9.923 -2.069 1.00 0.00 N ATOM 435 CA HIS A 27 -6.425 -10.580 -0.828 1.00 0.00 C ATOM 436 C HIS A 27 -7.098 -9.615 0.150 1.00 0.00 C ATOM 437 O HIS A 27 -7.827 -10.038 1.044 1.00 0.00 O ATOM 438 CB HIS A 27 -5.223 -11.260 -0.160 1.00 0.00 C ATOM 439 CG HIS A 27 -5.552 -12.256 0.924 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.660 -13.626 0.751 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.639 -11.985 2.263 1.00 0.00 C ATOM 442 CE1 HIS A 27 -5.796 -14.172 1.976 1.00 0.00 C ATOM 443 NE2 HIS A 27 -5.786 -13.198 2.908 1.00 0.00 N ATOM 0 H HIS A 27 -4.983 -10.020 -2.253 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.178 -11.320 -1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.642 -11.768 -0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.582 -10.487 0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.600 -11.010 2.726 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.897 -15.228 2.180 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.872 -13.333 3.915 1.00 0.00 H new ATOM 452 N ALA A 28 -6.848 -8.311 0.026 1.00 0.00 N ATOM 453 CA ALA A 28 -7.431 -7.311 0.896 1.00 0.00 C ATOM 454 C ALA A 28 -8.816 -6.891 0.393 1.00 0.00 C ATOM 455 O ALA A 28 -9.758 -6.845 1.193 1.00 0.00 O ATOM 456 CB ALA A 28 -6.461 -6.142 0.958 1.00 0.00 C ATOM 0 H ALA A 28 -6.230 -7.925 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.585 -7.709 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.867 -5.366 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.505 -6.483 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.314 -5.738 -0.043 1.00 0.00 H new ATOM 462 N GLN A 29 -8.965 -6.585 -0.907 1.00 0.00 N ATOM 463 CA GLN A 29 -10.268 -6.195 -1.468 1.00 0.00 C ATOM 464 C GLN A 29 -11.285 -7.333 -1.386 1.00 0.00 C ATOM 465 O GLN A 29 -12.486 -7.079 -1.366 1.00 0.00 O ATOM 466 CB GLN A 29 -10.135 -5.617 -2.894 1.00 0.00 C ATOM 467 CG GLN A 29 -9.483 -6.486 -3.960 1.00 0.00 C ATOM 468 CD GLN A 29 -10.436 -7.512 -4.547 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.344 -7.204 -5.307 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.252 -8.771 -4.226 1.00 0.00 N ATOM 0 H GLN A 29 -8.203 -6.600 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.657 -5.388 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.134 -5.355 -3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.567 -4.689 -2.826 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.104 -5.849 -4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.624 -7.000 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.496 -9.031 -3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.865 -9.490 -4.610 1.00 0.00 H new ATOM 479 N GLU A 30 -10.816 -8.577 -1.265 1.00 0.00 N ATOM 480 CA GLU A 30 -11.619 -9.766 -1.078 1.00 0.00 C ATOM 481 C GLU A 30 -12.443 -9.671 0.207 1.00 0.00 C ATOM 482 O GLU A 30 -13.588 -10.115 0.228 1.00 0.00 O ATOM 483 CB GLU A 30 -10.651 -10.959 -1.023 1.00 0.00 C ATOM 484 CG GLU A 30 -10.461 -11.645 -2.385 1.00 0.00 C ATOM 485 CD GLU A 30 -10.705 -13.159 -2.379 1.00 0.00 C ATOM 486 OE1 GLU A 30 -11.742 -13.626 -1.856 1.00 0.00 O ATOM 487 OE2 GLU A 30 -9.897 -13.875 -3.024 1.00 0.00 O ATOM 0 H GLU A 30 -9.817 -8.782 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.328 -9.884 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.683 -10.617 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.024 -11.689 -0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.137 -11.185 -3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.446 -11.456 -2.734 1.00 0.00 H new ATOM 494 N GLN A 31 -11.887 -9.101 1.282 1.00 0.00 N ATOM 495 CA GLN A 31 -12.572 -9.114 2.567 1.00 0.00 C ATOM 496 C GLN A 31 -13.502 -7.906 2.711 1.00 0.00 C ATOM 497 O GLN A 31 -14.577 -8.066 3.301 1.00 0.00 O ATOM 498 CB GLN A 31 -11.582 -9.249 3.737 1.00 0.00 C ATOM 499 CG GLN A 31 -10.667 -10.472 3.571 1.00 0.00 C ATOM 500 CD GLN A 31 -9.906 -10.891 4.834 1.00 0.00 C ATOM 501 OE1 GLN A 31 -9.895 -10.231 5.873 1.00 0.00 O ATOM 502 NE2 GLN A 31 -9.228 -12.019 4.768 1.00 0.00 N ATOM 0 H GLN A 31 -10.980 -8.634 1.284 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.205 -10.001 2.602 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.974 -8.347 3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.134 -9.333 4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.270 -11.314 3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.944 -10.261 2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.235 -12.569 3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.696 -12.343 5.576 1.00 0.00 H new ATOM 511 N LEU A 32 -13.140 -6.720 2.189 1.00 0.00 N ATOM 512 CA LEU A 32 -13.984 -5.525 2.279 1.00 0.00 C ATOM 513 C LEU A 32 -15.083 -5.585 1.217 1.00 0.00 C ATOM 514 O LEU A 32 -16.248 -5.779 1.574 1.00 0.00 O ATOM 515 CB LEU A 32 -13.185 -4.200 2.193 1.00 0.00 C ATOM 516 CG LEU A 32 -12.180 -3.918 3.335 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.760 -2.444 3.389 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.710 -4.283 4.717 1.00 0.00 C ATOM 0 H LEU A 32 -12.259 -6.568 1.697 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.439 -5.526 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.639 -4.193 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.897 -3.375 2.155 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.328 -4.554 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.054 -2.296 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.287 -2.166 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.639 -1.821 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.953 -4.059 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.610 -3.705 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.946 -5.347 4.747 1.00 0.00 H new ATOM 530 N GLY A 33 -14.731 -5.422 -0.061 1.00 0.00 N ATOM 531 CA GLY A 33 -15.677 -5.251 -1.155 1.00 0.00 C ATOM 532 C GLY A 33 -15.697 -3.796 -1.644 1.00 0.00 C ATOM 533 O GLY A 33 -14.629 -3.231 -1.900 1.00 0.00 O ATOM 0 H GLY A 33 -13.758 -5.406 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.408 -5.912 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.675 -5.541 -0.826 1.00 0.00 H new ATOM 537 N ASP A 34 -16.887 -3.197 -1.770 1.00 0.00 N ATOM 538 CA ASP A 34 -17.256 -2.020 -2.571 1.00 0.00 C ATOM 539 C ASP A 34 -16.754 -0.676 -2.090 1.00 0.00 C ATOM 540 O ASP A 34 -17.321 0.368 -2.402 1.00 0.00 O ATOM 541 CB ASP A 34 -18.801 -1.935 -2.671 1.00 0.00 C ATOM 542 CG ASP A 34 -19.513 -2.997 -3.506 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.638 -2.839 -4.743 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.106 -3.901 -2.871 1.00 0.00 O ATOM 0 H ASP A 34 -17.696 -3.559 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.760 -2.191 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.206 -1.975 -1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.058 -0.958 -3.079 1.00 0.00 H new ATOM 549 N VAL A 35 -15.573 -0.629 -1.507 1.00 0.00 N ATOM 550 CA VAL A 35 -15.295 0.105 -0.295 1.00 0.00 C ATOM 551 C VAL A 35 -16.294 1.223 -0.033 1.00 0.00 C ATOM 552 O VAL A 35 -17.401 0.832 0.325 1.00 0.00 O ATOM 553 CB VAL A 35 -13.831 0.532 -0.381 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.435 1.062 0.975 1.00 0.00 C ATOM 555 CG2 VAL A 35 -12.857 -0.615 -0.667 1.00 0.00 C ATOM 0 H VAL A 35 -14.757 -1.117 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.429 -0.515 0.592 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.767 1.251 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.392 1.378 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.066 1.913 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.561 0.279 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.840 -0.226 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.926 -1.358 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.111 -1.079 -1.620 1.00 0.00 H new ATOM 565 N VAL A 36 -15.904 2.503 -0.076 1.00 0.00 N ATOM 566 CA VAL A 36 -16.637 3.698 0.325 1.00 0.00 C ATOM 567 C VAL A 36 -15.676 4.883 0.463 1.00 0.00 C ATOM 568 O VAL A 36 -16.033 5.992 0.068 1.00 0.00 O ATOM 569 CB VAL A 36 -17.422 3.475 1.639 1.00 0.00 C ATOM 570 CG1 VAL A 36 -16.691 3.869 2.907 1.00 0.00 C ATOM 571 CG2 VAL A 36 -18.862 3.933 1.500 1.00 0.00 C ATOM 0 H VAL A 36 -14.977 2.745 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.366 3.921 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.484 2.399 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.328 3.673 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.773 3.287 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.446 4.930 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.390 3.764 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.884 4.995 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.348 3.369 0.704 1.00 0.00 H new ATOM 581 N TYR A 37 -14.484 4.680 1.044 1.00 0.00 N ATOM 582 CA TYR A 37 -13.565 5.766 1.379 1.00 0.00 C ATOM 583 C TYR A 37 -12.139 5.221 1.487 1.00 0.00 C ATOM 584 O TYR A 37 -11.956 4.012 1.635 1.00 0.00 O ATOM 585 CB TYR A 37 -14.024 6.365 2.721 1.00 0.00 C ATOM 586 CG TYR A 37 -13.189 7.523 3.219 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.037 8.668 2.413 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.525 7.432 4.458 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.188 9.710 2.820 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.680 8.474 4.872 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.492 9.606 4.047 1.00 0.00 C ATOM 592 OH TYR A 37 -10.663 10.602 4.454 1.00 0.00 O ATOM 0 H TYR A 37 -14.134 3.755 1.293 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.570 6.535 0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.057 6.698 2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.015 5.578 3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.575 8.745 1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.665 6.565 5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.067 10.586 2.200 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.172 8.410 5.823 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.268 10.366 5.319 1.00 0.00 H new ATOM 602 N VAL A 38 -11.136 6.099 1.470 1.00 0.00 N ATOM 603 CA VAL A 38 -9.783 5.795 1.908 1.00 0.00 C ATOM 604 C VAL A 38 -9.255 6.981 2.688 1.00 0.00 C ATOM 605 O VAL A 38 -9.513 8.140 2.356 1.00 0.00 O ATOM 606 CB VAL A 38 -8.853 5.409 0.735 1.00 0.00 C ATOM 607 CG1 VAL A 38 -9.317 4.166 -0.039 1.00 0.00 C ATOM 608 CG2 VAL A 38 -8.648 6.554 -0.263 1.00 0.00 C ATOM 0 H VAL A 38 -11.248 7.059 1.144 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.806 4.917 2.553 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.906 5.178 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.615 3.957 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.358 3.311 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.307 4.346 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.987 6.224 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.610 6.846 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.201 7.407 0.248 1.00 0.00 H new ATOM 618 N ASP A 39 -8.509 6.666 3.733 1.00 0.00 N ATOM 619 CA ASP A 39 -7.938 7.607 4.664 1.00 0.00 C ATOM 620 C ASP A 39 -6.479 7.785 4.285 1.00 0.00 C ATOM 621 O ASP A 39 -5.639 6.987 4.704 1.00 0.00 O ATOM 622 CB ASP A 39 -8.073 7.028 6.080 1.00 0.00 C ATOM 623 CG ASP A 39 -7.383 7.859 7.151 1.00 0.00 C ATOM 624 OD1 ASP A 39 -7.580 9.091 7.208 1.00 0.00 O ATOM 625 OD2 ASP A 39 -6.665 7.274 7.997 1.00 0.00 O ATOM 0 H ASP A 39 -8.278 5.699 3.961 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.443 8.573 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.131 6.940 6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.658 6.020 6.092 1.00 0.00 H new ATOM 630 N LEU A 40 -6.173 8.709 3.375 1.00 0.00 N ATOM 631 CA LEU A 40 -4.833 8.855 2.815 1.00 0.00 C ATOM 632 C LEU A 40 -4.019 9.835 3.662 1.00 0.00 C ATOM 633 O LEU A 40 -4.584 10.719 4.311 1.00 0.00 O ATOM 634 CB LEU A 40 -4.923 9.315 1.350 1.00 0.00 C ATOM 635 CG LEU A 40 -5.356 8.181 0.405 1.00 0.00 C ATOM 636 CD1 LEU A 40 -5.948 8.779 -0.874 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.180 7.258 0.059 1.00 0.00 C ATOM 0 H LEU A 40 -6.849 9.378 3.006 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.323 7.892 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.633 10.139 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.954 9.699 1.032 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.110 7.581 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.255 7.975 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.814 9.392 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.198 9.396 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.522 6.468 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.396 7.835 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.785 6.814 0.973 1.00 0.00 H new ATOM 649 N PRO A 41 -2.685 9.695 3.669 1.00 0.00 N ATOM 650 CA PRO A 41 -1.815 10.561 4.444 1.00 0.00 C ATOM 651 C PRO A 41 -1.667 11.940 3.815 1.00 0.00 C ATOM 652 O PRO A 41 -2.112 12.196 2.699 1.00 0.00 O ATOM 653 CB PRO A 41 -0.474 9.840 4.518 1.00 0.00 C ATOM 654 CG PRO A 41 -0.487 8.818 3.377 1.00 0.00 C ATOM 655 CD PRO A 41 -1.931 8.706 2.918 1.00 0.00 C ATOM 0 HA PRO A 41 -2.232 10.742 5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.353 10.541 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.347 9.348 5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.157 9.141 2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.111 7.853 3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.012 8.889 1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.318 7.704 3.100 1.00 0.00 H new ATOM 663 N GLU A 42 -0.974 12.834 4.517 1.00 0.00 N ATOM 664 CA GLU A 42 -0.565 14.111 3.957 1.00 0.00 C ATOM 665 C GLU A 42 0.724 13.902 3.156 1.00 0.00 C ATOM 666 O GLU A 42 1.619 13.178 3.591 1.00 0.00 O ATOM 667 CB GLU A 42 -0.336 15.136 5.071 1.00 0.00 C ATOM 668 CG GLU A 42 -0.410 16.551 4.474 1.00 0.00 C ATOM 669 CD GLU A 42 0.374 17.616 5.248 1.00 0.00 C ATOM 670 OE1 GLU A 42 1.047 17.302 6.251 1.00 0.00 O ATOM 671 OE2 GLU A 42 0.434 18.769 4.756 1.00 0.00 O ATOM 0 H GLU A 42 -0.684 12.691 5.484 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.350 14.493 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.087 15.017 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.636 14.975 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.038 16.518 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.456 16.855 4.423 1.00 0.00 H new ATOM 678 N VAL A 43 0.851 14.595 2.026 1.00 0.00 N ATOM 679 CA VAL A 43 1.883 14.483 0.989 1.00 0.00 C ATOM 680 C VAL A 43 3.289 14.984 1.412 1.00 0.00 C ATOM 681 O VAL A 43 4.131 15.314 0.587 1.00 0.00 O ATOM 682 CB VAL A 43 1.284 15.186 -0.261 1.00 0.00 C ATOM 683 CG1 VAL A 43 1.637 16.670 -0.328 1.00 0.00 C ATOM 684 CG2 VAL A 43 1.663 14.516 -1.574 1.00 0.00 C ATOM 0 H VAL A 43 0.172 15.318 1.788 1.00 0.00 H new ATOM 0 HA VAL A 43 2.107 13.438 0.774 1.00 0.00 H new ATOM 0 HB VAL A 43 0.206 15.087 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.193 17.110 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.251 17.176 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.720 16.785 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.211 15.059 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.747 14.521 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.303 13.487 -1.575 1.00 0.00 H new ATOM 694 N GLY A 44 3.541 15.073 2.710 1.00 0.00 N ATOM 695 CA GLY A 44 4.793 15.521 3.314 1.00 0.00 C ATOM 696 C GLY A 44 5.012 14.935 4.712 1.00 0.00 C ATOM 697 O GLY A 44 5.791 15.482 5.495 1.00 0.00 O ATOM 0 H GLY A 44 2.842 14.822 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.625 15.237 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.794 16.609 3.375 1.00 0.00 H new ATOM 701 N ARG A 45 4.308 13.861 5.079 1.00 0.00 N ATOM 702 CA ARG A 45 4.378 13.284 6.427 1.00 0.00 C ATOM 703 C ARG A 45 5.477 12.223 6.494 1.00 0.00 C ATOM 704 O ARG A 45 5.639 11.485 5.528 1.00 0.00 O ATOM 705 CB ARG A 45 2.999 12.691 6.729 1.00 0.00 C ATOM 706 CG ARG A 45 2.804 12.326 8.203 1.00 0.00 C ATOM 707 CD ARG A 45 1.351 11.891 8.379 1.00 0.00 C ATOM 708 NE ARG A 45 0.996 11.697 9.790 1.00 0.00 N ATOM 709 CZ ARG A 45 -0.049 12.215 10.446 1.00 0.00 C ATOM 710 NH1 ARG A 45 -0.784 13.188 9.909 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.335 11.755 11.657 1.00 0.00 N ATOM 0 H ARG A 45 3.674 13.366 4.452 1.00 0.00 H new ATOM 0 HA ARG A 45 4.630 14.040 7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.231 13.407 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.854 11.799 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.482 11.523 8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.029 13.180 8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.693 12.642 7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.183 10.963 7.833 1.00 0.00 H new ATOM 0 HE ARG A 45 1.618 11.098 10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.554 13.550 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.577 13.571 10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.238 11.020 12.072 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.127 12.137 12.174 1.00 0.00 H new ATOM 725 N GLU A 46 6.224 12.101 7.593 1.00 0.00 N ATOM 726 CA GLU A 46 7.140 10.975 7.784 1.00 0.00 C ATOM 727 C GLU A 46 6.402 9.773 8.381 1.00 0.00 C ATOM 728 O GLU A 46 5.523 9.952 9.231 1.00 0.00 O ATOM 729 CB GLU A 46 8.292 11.371 8.713 1.00 0.00 C ATOM 730 CG GLU A 46 9.634 11.216 7.992 1.00 0.00 C ATOM 731 CD GLU A 46 10.703 10.700 8.949 1.00 0.00 C ATOM 732 OE1 GLU A 46 10.666 9.501 9.318 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.627 11.469 9.293 1.00 0.00 O ATOM 0 H GLU A 46 6.213 12.768 8.364 1.00 0.00 H new ATOM 0 HA GLU A 46 7.541 10.701 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.165 12.403 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.278 10.748 9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.525 10.527 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.943 12.176 7.577 1.00 0.00 H new ATOM 740 N VAL A 47 6.783 8.556 7.983 1.00 0.00 N ATOM 741 CA VAL A 47 6.130 7.305 8.377 1.00 0.00 C ATOM 742 C VAL A 47 7.163 6.223 8.719 1.00 0.00 C ATOM 743 O VAL A 47 8.375 6.431 8.614 1.00 0.00 O ATOM 744 CB VAL A 47 5.115 6.866 7.299 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.088 7.981 7.051 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.764 6.451 5.969 1.00 0.00 C ATOM 0 H VAL A 47 7.577 8.410 7.360 1.00 0.00 H new ATOM 0 HA VAL A 47 5.562 7.472 9.292 1.00 0.00 H new ATOM 0 HB VAL A 47 4.622 5.978 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.378 7.659 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.554 8.196 7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.602 8.880 6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.988 6.156 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.326 7.291 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.438 5.612 6.139 1.00 0.00 H new ATOM 756 N LYS A 48 6.695 5.045 9.134 1.00 0.00 N ATOM 757 CA LYS A 48 7.495 3.894 9.534 1.00 0.00 C ATOM 758 C LYS A 48 6.955 2.656 8.838 1.00 0.00 C ATOM 759 O LYS A 48 5.815 2.670 8.382 1.00 0.00 O ATOM 760 CB LYS A 48 7.382 3.731 11.053 1.00 0.00 C ATOM 761 CG LYS A 48 8.282 4.750 11.766 1.00 0.00 C ATOM 762 CD LYS A 48 8.122 4.721 13.289 1.00 0.00 C ATOM 763 CE LYS A 48 9.343 5.417 13.896 1.00 0.00 C ATOM 764 NZ LYS A 48 9.175 5.728 15.326 1.00 0.00 N ATOM 0 H LYS A 48 5.694 4.862 9.203 1.00 0.00 H new ATOM 0 HA LYS A 48 8.540 4.035 9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.347 3.869 11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.669 2.719 11.339 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.323 4.550 11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.051 5.750 11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.204 5.228 13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.049 3.694 13.647 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.218 4.780 13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.538 6.340 13.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.032 6.198 15.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.357 6.359 15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.017 4.848 15.857 1.00 0.00 H new ATOM 778 N LYS A 49 7.717 1.561 8.862 1.00 0.00 N ATOM 779 CA LYS A 49 7.337 0.244 8.338 1.00 0.00 C ATOM 780 C LYS A 49 6.304 -0.493 9.192 1.00 0.00 C ATOM 781 O LYS A 49 6.372 -1.705 9.401 1.00 0.00 O ATOM 782 CB LYS A 49 8.604 -0.584 8.130 1.00 0.00 C ATOM 783 CG LYS A 49 9.431 -0.882 9.390 1.00 0.00 C ATOM 784 CD LYS A 49 10.606 -1.804 9.042 1.00 0.00 C ATOM 785 CE LYS A 49 11.584 -1.859 10.217 1.00 0.00 C ATOM 786 NZ LYS A 49 12.724 -2.747 9.933 1.00 0.00 N ATOM 0 H LYS A 49 8.655 1.566 9.263 1.00 0.00 H new ATOM 0 HA LYS A 49 6.832 0.399 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.323 -1.532 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.242 -0.062 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.803 0.048 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.801 -1.352 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.240 -2.805 8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.115 -1.440 8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.949 -0.855 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.063 -2.209 11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.375 -2.747 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.378 -3.714 9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.225 -2.409 9.087 1.00 0.00 H new ATOM 800 N GLY A 50 5.371 0.259 9.739 1.00 0.00 N ATOM 801 CA GLY A 50 4.265 -0.191 10.553 1.00 0.00 C ATOM 802 C GLY A 50 3.591 1.046 11.122 1.00 0.00 C ATOM 803 O GLY A 50 3.854 1.412 12.268 1.00 0.00 O ATOM 0 H GLY A 50 5.367 1.272 9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.561 -0.773 9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.617 -0.840 11.355 1.00 0.00 H new ATOM 807 N GLU A 51 2.814 1.745 10.297 1.00 0.00 N ATOM 808 CA GLU A 51 2.108 2.980 10.632 1.00 0.00 C ATOM 809 C GLU A 51 0.824 3.001 9.787 1.00 0.00 C ATOM 810 O GLU A 51 0.933 2.893 8.572 1.00 0.00 O ATOM 811 CB GLU A 51 3.059 4.158 10.312 1.00 0.00 C ATOM 812 CG GLU A 51 3.297 5.089 11.507 1.00 0.00 C ATOM 813 CD GLU A 51 2.462 6.362 11.402 1.00 0.00 C ATOM 814 OE1 GLU A 51 1.237 6.288 11.622 1.00 0.00 O ATOM 815 OE2 GLU A 51 3.046 7.425 11.083 1.00 0.00 O ATOM 0 H GLU A 51 2.652 1.453 9.333 1.00 0.00 H new ATOM 0 HA GLU A 51 1.828 3.055 11.683 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.016 3.761 9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.644 4.737 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.050 4.566 12.431 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.354 5.350 11.561 1.00 0.00 H new ATOM 822 N VAL A 52 -0.373 3.047 10.384 1.00 0.00 N ATOM 823 CA VAL A 52 -1.709 2.900 9.753 1.00 0.00 C ATOM 824 C VAL A 52 -2.107 4.098 8.849 1.00 0.00 C ATOM 825 O VAL A 52 -3.265 4.484 8.710 1.00 0.00 O ATOM 826 CB VAL A 52 -2.754 2.430 10.817 1.00 0.00 C ATOM 827 CG1 VAL A 52 -2.403 2.830 12.247 1.00 0.00 C ATOM 828 CG2 VAL A 52 -4.235 2.812 10.641 1.00 0.00 C ATOM 0 H VAL A 52 -0.449 3.198 11.390 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.674 2.097 9.016 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.670 1.360 10.629 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.175 2.468 12.926 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.444 2.392 12.522 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.339 3.916 12.316 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.817 2.404 11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.332 3.898 10.630 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.607 2.405 9.701 1.00 0.00 H new ATOM 838 N VAL A 53 -1.150 4.718 8.178 1.00 0.00 N ATOM 839 CA VAL A 53 -1.358 5.947 7.428 1.00 0.00 C ATOM 840 C VAL A 53 -2.202 5.789 6.151 1.00 0.00 C ATOM 841 O VAL A 53 -2.278 6.746 5.382 1.00 0.00 O ATOM 842 CB VAL A 53 0.010 6.585 7.125 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.659 7.082 8.418 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.951 5.609 6.408 1.00 0.00 C ATOM 0 H VAL A 53 -0.190 4.376 8.138 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.955 6.605 8.059 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.164 7.429 6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.626 7.531 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.014 7.826 8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.800 6.244 9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.905 6.100 6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.115 4.734 7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.503 5.299 5.464 1.00 0.00 H new ATOM 854 N ALA A 54 -2.833 4.643 5.879 1.00 0.00 N ATOM 855 CA ALA A 54 -3.637 4.490 4.675 1.00 0.00 C ATOM 856 C ALA A 54 -4.905 3.700 4.962 1.00 0.00 C ATOM 857 O ALA A 54 -5.223 2.758 4.239 1.00 0.00 O ATOM 858 CB ALA A 54 -2.774 3.931 3.549 1.00 0.00 C ATOM 0 H ALA A 54 -2.800 3.816 6.475 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.991 5.461 4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.379 3.818 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.950 4.615 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.376 2.960 3.843 1.00 0.00 H new ATOM 864 N SER A 55 -5.625 4.060 6.024 1.00 0.00 N ATOM 865 CA SER A 55 -6.767 3.284 6.473 1.00 0.00 C ATOM 866 C SER A 55 -7.842 3.221 5.385 1.00 0.00 C ATOM 867 O SER A 55 -7.866 4.020 4.444 1.00 0.00 O ATOM 868 CB SER A 55 -7.295 3.881 7.781 1.00 0.00 C ATOM 869 OG SER A 55 -7.306 2.906 8.804 1.00 0.00 O ATOM 0 H SER A 55 -5.432 4.888 6.587 1.00 0.00 H new ATOM 0 HA SER A 55 -6.464 2.255 6.666 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.671 4.723 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.302 4.268 7.630 1.00 0.00 H new ATOM 0 HG SER A 55 -7.645 3.305 9.633 1.00 0.00 H new ATOM 875 N ILE A 56 -8.740 2.254 5.519 1.00 0.00 N ATOM 876 CA ILE A 56 -9.764 1.960 4.538 1.00 0.00 C ATOM 877 C ILE A 56 -11.029 1.702 5.344 1.00 0.00 C ATOM 878 O ILE A 56 -11.147 0.638 5.946 1.00 0.00 O ATOM 879 CB ILE A 56 -9.355 0.741 3.672 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.860 0.691 3.296 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.293 0.708 2.455 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.541 -0.442 2.325 1.00 0.00 C ATOM 0 H ILE A 56 -8.773 1.641 6.333 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.916 2.778 3.834 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.473 -0.167 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.569 1.642 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.265 0.569 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.035 -0.139 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.324 0.607 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.186 1.633 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.476 -0.433 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.805 -1.397 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.114 -0.307 1.407 1.00 0.00 H new ATOM 894 N GLU A 57 -11.948 2.663 5.426 1.00 0.00 N ATOM 895 CA GLU A 57 -13.291 2.352 5.890 1.00 0.00 C ATOM 896 C GLU A 57 -14.043 1.906 4.652 1.00 0.00 C ATOM 897 O GLU A 57 -13.741 2.402 3.573 1.00 0.00 O ATOM 898 CB GLU A 57 -13.958 3.568 6.553 1.00 0.00 C ATOM 899 CG GLU A 57 -13.732 3.502 8.069 1.00 0.00 C ATOM 900 CD GLU A 57 -14.516 4.568 8.838 1.00 0.00 C ATOM 901 OE1 GLU A 57 -14.247 5.780 8.678 1.00 0.00 O ATOM 902 OE2 GLU A 57 -15.371 4.200 9.681 1.00 0.00 O ATOM 0 H GLU A 57 -11.790 3.641 5.182 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.284 1.578 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.541 4.491 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.025 3.578 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.020 2.515 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.669 3.620 8.278 1.00 0.00 H new ATOM 909 N SER A 58 -15.013 1.007 4.796 1.00 0.00 N ATOM 910 CA SER A 58 -15.898 0.576 3.727 1.00 0.00 C ATOM 911 C SER A 58 -17.356 0.789 4.132 1.00 0.00 C ATOM 912 O SER A 58 -17.640 1.233 5.250 1.00 0.00 O ATOM 913 CB SER A 58 -15.618 -0.880 3.367 1.00 0.00 C ATOM 914 OG SER A 58 -15.921 -1.747 4.437 1.00 0.00 O ATOM 0 H SER A 58 -15.207 0.548 5.686 1.00 0.00 H new ATOM 0 HA SER A 58 -15.710 1.178 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.207 -1.159 2.494 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.569 -0.992 3.093 1.00 0.00 H new ATOM 0 HG SER A 58 -15.732 -2.672 4.173 1.00 0.00 H new ATOM 920 N VAL A 59 -18.280 0.437 3.235 1.00 0.00 N ATOM 921 CA VAL A 59 -19.721 0.456 3.434 1.00 0.00 C ATOM 922 C VAL A 59 -20.149 -0.042 4.813 1.00 0.00 C ATOM 923 O VAL A 59 -21.076 0.551 5.364 1.00 0.00 O ATOM 924 CB VAL A 59 -20.401 -0.321 2.291 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.478 0.548 1.032 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.662 -1.619 1.940 1.00 0.00 C ATOM 0 H VAL A 59 -18.023 0.115 2.302 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.052 1.494 3.404 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.399 -0.579 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.961 -0.013 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.057 1.447 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.472 0.829 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.184 -2.127 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.645 -1.385 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.632 -2.269 2.815 1.00 0.00 H new ATOM 936 N LYS A 60 -19.478 -1.039 5.421 1.00 0.00 N ATOM 937 CA LYS A 60 -19.524 -1.176 6.879 1.00 0.00 C ATOM 938 C LYS A 60 -18.386 -2.028 7.453 1.00 0.00 C ATOM 939 O LYS A 60 -18.642 -3.035 8.113 1.00 0.00 O ATOM 940 CB LYS A 60 -20.916 -1.651 7.359 1.00 0.00 C ATOM 941 CG LYS A 60 -21.399 -0.768 8.509 1.00 0.00 C ATOM 942 CD LYS A 60 -20.480 -0.707 9.738 1.00 0.00 C ATOM 943 CE LYS A 60 -21.168 0.085 10.852 1.00 0.00 C ATOM 944 NZ LYS A 60 -22.163 -0.735 11.570 1.00 0.00 N ATOM 0 H LYS A 60 -18.915 -1.739 4.938 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.360 -0.177 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -21.628 -1.611 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.863 -2.690 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -21.536 0.245 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.378 -1.124 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.249 -1.715 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -19.533 -0.236 9.474 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -20.419 0.448 11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.657 0.961 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -22.560 -0.187 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.927 -1.004 10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.705 -1.592 11.939 1.00 0.00 H new ATOM 958 N ALA A 61 -17.134 -1.642 7.233 1.00 0.00 N ATOM 959 CA ALA A 61 -15.987 -2.244 7.906 1.00 0.00 C ATOM 960 C ALA A 61 -14.817 -1.260 7.898 1.00 0.00 C ATOM 961 O ALA A 61 -14.965 -0.114 7.461 1.00 0.00 O ATOM 962 CB ALA A 61 -15.614 -3.573 7.238 1.00 0.00 C ATOM 0 H ALA A 61 -16.884 -0.899 6.580 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.243 -2.462 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.757 -4.010 7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.459 -4.259 7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.360 -3.396 6.193 1.00 0.00 H new ATOM 968 N ALA A 62 -13.664 -1.705 8.399 1.00 0.00 N ATOM 969 CA ALA A 62 -12.403 -0.982 8.406 1.00 0.00 C ATOM 970 C ALA A 62 -11.244 -1.911 8.013 1.00 0.00 C ATOM 971 O ALA A 62 -11.399 -3.140 8.013 1.00 0.00 O ATOM 972 CB ALA A 62 -12.191 -0.393 9.799 1.00 0.00 C ATOM 0 H ALA A 62 -13.586 -2.626 8.831 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.432 -0.176 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.248 0.154 9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.010 0.286 10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.163 -1.198 10.534 1.00 0.00 H new ATOM 978 N ALA A 63 -10.078 -1.344 7.707 1.00 0.00 N ATOM 979 CA ALA A 63 -8.796 -2.018 7.552 1.00 0.00 C ATOM 980 C ALA A 63 -7.713 -0.971 7.790 1.00 0.00 C ATOM 981 O ALA A 63 -7.735 0.090 7.165 1.00 0.00 O ATOM 982 CB ALA A 63 -8.641 -2.622 6.151 1.00 0.00 C ATOM 0 H ALA A 63 -10.002 -0.339 7.552 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.721 -2.842 8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.673 -3.116 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.435 -3.349 5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.705 -1.830 5.404 1.00 0.00 H new ATOM 988 N ASP A 64 -6.780 -1.260 8.689 1.00 0.00 N ATOM 989 CA ASP A 64 -5.636 -0.439 9.011 1.00 0.00 C ATOM 990 C ASP A 64 -4.531 -0.870 8.066 1.00 0.00 C ATOM 991 O ASP A 64 -4.124 -2.033 8.073 1.00 0.00 O ATOM 992 CB ASP A 64 -5.201 -0.655 10.469 1.00 0.00 C ATOM 993 CG ASP A 64 -5.917 -1.764 11.261 1.00 0.00 C ATOM 994 OD1 ASP A 64 -5.620 -2.957 11.020 1.00 0.00 O ATOM 995 OD2 ASP A 64 -6.734 -1.499 12.176 1.00 0.00 O ATOM 0 H ASP A 64 -6.809 -2.120 9.237 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.870 0.620 8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.133 -0.872 10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.338 0.284 11.005 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.065 0.048 7.223 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.016 -0.273 6.265 1.00 0.00 C ATOM 1002 C VAL A 65 -1.677 0.162 6.863 1.00 0.00 C ATOM 1003 O VAL A 65 -1.311 1.337 6.781 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.289 0.322 4.890 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.178 -0.062 3.912 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.606 -0.234 4.346 1.00 0.00 C ATOM 0 H VAL A 65 -4.395 1.012 7.185 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.987 -1.348 6.090 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.337 1.406 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.388 0.371 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.224 0.316 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.129 -1.147 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.802 0.192 3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.537 -1.319 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.419 0.028 5.023 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.985 -0.751 7.547 1.00 0.00 N ATOM 1017 CA TYR A 66 0.274 -0.445 8.217 1.00 0.00 C ATOM 1018 C TYR A 66 1.438 -0.373 7.223 1.00 0.00 C ATOM 1019 O TYR A 66 1.960 -1.407 6.795 1.00 0.00 O ATOM 1020 CB TYR A 66 0.607 -1.474 9.294 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.523 -1.844 10.216 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.843 -1.039 11.320 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.250 -3.015 9.957 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.845 -1.457 12.213 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.280 -3.415 10.814 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.571 -2.647 11.962 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.595 -3.015 12.773 1.00 0.00 O ATOM 0 H TYR A 66 -1.283 -1.721 7.650 1.00 0.00 H new ATOM 0 HA TYR A 66 0.140 0.530 8.686 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.965 -2.381 8.806 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.431 -1.090 9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.324 -0.106 11.482 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.013 -3.612 9.089 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.062 -0.869 13.093 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.850 -4.307 10.599 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.321 -3.391 12.233 1.00 0.00 H new ATOM 1037 N ALA A 67 1.891 0.853 6.972 1.00 0.00 N ATOM 1038 CA ALA A 67 2.842 1.255 5.949 1.00 0.00 C ATOM 1039 C ALA A 67 4.090 0.371 5.819 1.00 0.00 C ATOM 1040 O ALA A 67 4.551 -0.220 6.800 1.00 0.00 O ATOM 1041 CB ALA A 67 3.275 2.697 6.223 1.00 0.00 C ATOM 0 H ALA A 67 1.575 1.650 7.524 1.00 0.00 H new ATOM 0 HA ALA A 67 2.317 1.148 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.989 3.013 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.403 3.350 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.742 2.756 7.206 1.00 0.00 H new ATOM 1047 N PRO A 68 4.699 0.328 4.620 1.00 0.00 N ATOM 1048 CA PRO A 68 5.629 -0.737 4.282 1.00 0.00 C ATOM 1049 C PRO A 68 7.068 -0.494 4.720 1.00 0.00 C ATOM 1050 O PRO A 68 7.730 -1.432 5.154 1.00 0.00 O ATOM 1051 CB PRO A 68 5.531 -0.852 2.765 1.00 0.00 C ATOM 1052 CG PRO A 68 5.156 0.547 2.281 1.00 0.00 C ATOM 1053 CD PRO A 68 4.290 1.060 3.424 1.00 0.00 C ATOM 0 HA PRO A 68 5.360 -1.650 4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.477 -1.178 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.778 -1.585 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.035 1.173 2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.611 0.519 1.338 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.426 2.133 3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.233 0.897 3.213 1.00 0.00 H new ATOM 1061 N LEU A 69 7.570 0.731 4.568 1.00 0.00 N ATOM 1062 CA LEU A 69 8.933 1.133 4.893 1.00 0.00 C ATOM 1063 C LEU A 69 8.816 2.394 5.752 1.00 0.00 C ATOM 1064 O LEU A 69 7.750 3.015 5.796 1.00 0.00 O ATOM 1065 CB LEU A 69 9.763 1.434 3.628 1.00 0.00 C ATOM 1066 CG LEU A 69 10.236 0.283 2.714 1.00 0.00 C ATOM 1067 CD1 LEU A 69 11.126 -0.733 3.438 1.00 0.00 C ATOM 1068 CD2 LEU A 69 9.109 -0.444 1.984 1.00 0.00 C ATOM 0 H LEU A 69 7.012 1.501 4.199 1.00 0.00 H new ATOM 0 HA LEU A 69 9.447 0.326 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.176 2.115 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.652 1.978 3.947 1.00 0.00 H new ATOM 0 HG LEU A 69 10.834 0.791 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.425 -1.516 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.014 -0.231 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.573 -1.176 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.529 -1.237 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.424 -0.877 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.569 0.262 1.353 1.00 0.00 H new ATOM 1080 N SER A 70 9.904 2.832 6.383 1.00 0.00 N ATOM 1081 CA SER A 70 10.014 4.230 6.773 1.00 0.00 C ATOM 1082 C SER A 70 10.356 5.052 5.527 1.00 0.00 C ATOM 1083 O SER A 70 10.670 4.516 4.459 1.00 0.00 O ATOM 1084 CB SER A 70 11.038 4.393 7.901 1.00 0.00 C ATOM 1085 OG SER A 70 10.951 5.677 8.499 1.00 0.00 O ATOM 0 H SER A 70 10.705 2.250 6.630 1.00 0.00 H new ATOM 0 HA SER A 70 9.069 4.597 7.173 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.873 3.626 8.658 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.043 4.241 7.507 1.00 0.00 H new ATOM 0 HG SER A 70 10.012 5.955 8.541 1.00 0.00 H new ATOM 1091 N GLY A 71 10.273 6.367 5.647 1.00 0.00 N ATOM 1092 CA GLY A 71 10.384 7.313 4.559 1.00 0.00 C ATOM 1093 C GLY A 71 9.302 8.363 4.754 1.00 0.00 C ATOM 1094 O GLY A 71 8.689 8.448 5.823 1.00 0.00 O ATOM 0 H GLY A 71 10.119 6.820 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.371 7.776 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.262 6.810 3.600 1.00 0.00 H new ATOM 1098 N LYS A 72 9.062 9.177 3.733 1.00 0.00 N ATOM 1099 CA LYS A 72 8.216 10.357 3.841 1.00 0.00 C ATOM 1100 C LYS A 72 7.288 10.402 2.640 1.00 0.00 C ATOM 1101 O LYS A 72 7.728 10.194 1.511 1.00 0.00 O ATOM 1102 CB LYS A 72 9.142 11.567 4.029 1.00 0.00 C ATOM 1103 CG LYS A 72 8.543 12.964 3.790 1.00 0.00 C ATOM 1104 CD LYS A 72 8.673 13.847 5.035 1.00 0.00 C ATOM 1105 CE LYS A 72 8.622 15.325 4.652 1.00 0.00 C ATOM 1106 NZ LYS A 72 8.499 16.174 5.849 1.00 0.00 N ATOM 0 H LYS A 72 9.452 9.035 2.801 1.00 0.00 H new ATOM 0 HA LYS A 72 7.550 10.348 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.531 11.538 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.993 11.447 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.049 13.440 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.492 12.869 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.869 13.619 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.611 13.630 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.524 15.594 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.778 15.503 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.848 17.130 5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.501 16.227 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.061 15.766 6.623 1.00 0.00 H new ATOM 1120 N ILE A 73 5.994 10.570 2.902 1.00 0.00 N ATOM 1121 CA ILE A 73 4.929 10.597 1.911 1.00 0.00 C ATOM 1122 C ILE A 73 5.185 11.784 0.993 1.00 0.00 C ATOM 1123 O ILE A 73 5.611 12.830 1.482 1.00 0.00 O ATOM 1124 CB ILE A 73 3.555 10.727 2.605 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.326 9.740 3.773 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.393 10.585 1.602 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.854 8.327 3.543 1.00 0.00 C ATOM 0 H ILE A 73 5.647 10.696 3.853 1.00 0.00 H new ATOM 0 HA ILE A 73 4.917 9.672 1.334 1.00 0.00 H new ATOM 0 HB ILE A 73 3.570 11.731 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.798 10.146 4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.256 9.683 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.444 10.682 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.469 11.365 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.443 9.607 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.644 7.713 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.365 7.893 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.930 8.364 3.375 1.00 0.00 H new ATOM 1139 N VAL A 74 4.920 11.611 -0.305 1.00 0.00 N ATOM 1140 CA VAL A 74 5.103 12.647 -1.318 1.00 0.00 C ATOM 1141 C VAL A 74 4.113 12.519 -2.488 1.00 0.00 C ATOM 1142 O VAL A 74 4.143 13.352 -3.389 1.00 0.00 O ATOM 1143 CB VAL A 74 6.560 12.610 -1.860 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.617 13.021 -0.824 1.00 0.00 C ATOM 1145 CG2 VAL A 74 6.943 11.229 -2.428 1.00 0.00 C ATOM 0 H VAL A 74 4.567 10.733 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 74 4.906 13.602 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 74 6.561 13.349 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.608 12.970 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.422 14.040 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.572 12.345 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.970 11.258 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.857 10.477 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.273 10.975 -3.249 1.00 0.00 H new ATOM 1155 N GLU A 75 3.230 11.514 -2.526 1.00 0.00 N ATOM 1156 CA GLU A 75 2.120 11.480 -3.479 1.00 0.00 C ATOM 1157 C GLU A 75 0.993 10.668 -2.823 1.00 0.00 C ATOM 1158 O GLU A 75 1.264 9.847 -1.939 1.00 0.00 O ATOM 1159 CB GLU A 75 2.585 10.849 -4.810 1.00 0.00 C ATOM 1160 CG GLU A 75 2.060 11.548 -6.067 1.00 0.00 C ATOM 1161 CD GLU A 75 2.396 10.766 -7.349 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.577 10.655 -7.755 1.00 0.00 O ATOM 1163 OE2 GLU A 75 1.483 10.185 -7.972 1.00 0.00 O ATOM 0 H GLU A 75 3.266 10.708 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 75 1.763 12.482 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.675 10.853 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.269 9.806 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.979 11.668 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.489 12.548 -6.130 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.262 10.856 -3.238 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.420 10.098 -2.758 1.00 0.00 C ATOM 1172 C VAL A 76 -2.361 9.870 -3.952 1.00 0.00 C ATOM 1173 O VAL A 76 -2.326 10.650 -4.910 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.119 10.823 -1.583 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.171 11.206 -0.431 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.852 12.083 -2.046 1.00 0.00 C ATOM 0 H VAL A 76 -0.507 11.558 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.105 9.133 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.831 10.091 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.736 11.710 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.710 10.306 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.395 11.874 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.329 12.562 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.139 12.773 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.611 11.813 -2.780 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.178 8.811 -3.930 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.014 8.465 -5.077 1.00 0.00 C ATOM 1188 C ASN A 77 -5.385 9.122 -4.963 1.00 0.00 C ATOM 1189 O ASN A 77 -6.340 8.498 -4.497 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.153 6.947 -5.237 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.544 6.549 -6.654 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.630 7.353 -7.580 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -4.769 5.267 -6.836 1.00 0.00 N ATOM 0 H ASN A 77 -3.276 8.183 -3.132 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.520 8.847 -5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.210 6.468 -4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.903 6.577 -4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.021 4.920 -7.761 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.691 4.619 -6.052 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.516 10.372 -5.407 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.777 11.114 -5.348 1.00 0.00 C ATOM 1202 C GLU A 78 -7.916 10.473 -6.147 1.00 0.00 C ATOM 1203 O GLU A 78 -9.074 10.854 -6.003 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.557 12.559 -5.806 1.00 0.00 C ATOM 1205 CG GLU A 78 -5.916 13.437 -4.728 1.00 0.00 C ATOM 1206 CD GLU A 78 -5.666 14.853 -5.247 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -6.520 15.420 -5.971 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -4.568 15.404 -5.000 1.00 0.00 O ATOM 0 H GLU A 78 -4.748 10.901 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.093 11.092 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.923 12.561 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.514 12.992 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.565 13.476 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.974 12.993 -4.406 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.633 9.456 -6.953 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.655 8.597 -7.538 1.00 0.00 C ATOM 1217 C LYS A 79 -9.535 8.005 -6.453 1.00 0.00 C ATOM 1218 O LYS A 79 -10.753 8.004 -6.595 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.995 7.479 -8.359 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.805 7.880 -9.815 1.00 0.00 C ATOM 1221 CD LYS A 79 -9.169 8.036 -10.513 1.00 0.00 C ATOM 1222 CE LYS A 79 -9.186 7.261 -11.822 1.00 0.00 C ATOM 1223 NZ LYS A 79 -8.421 7.947 -12.881 1.00 0.00 N ATOM 0 H LYS A 79 -6.682 9.203 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.280 9.197 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.028 7.230 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.609 6.580 -8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.252 8.817 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.210 7.127 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.963 7.675 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.368 9.090 -10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.769 6.267 -11.660 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.217 7.125 -12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.458 7.385 -13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.833 8.886 -13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.431 8.054 -12.580 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.928 7.493 -5.386 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.592 6.673 -4.379 1.00 0.00 C ATOM 1239 C LEU A 80 -10.459 7.554 -3.471 1.00 0.00 C ATOM 1240 O LEU A 80 -11.320 7.040 -2.765 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.542 5.873 -3.579 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.812 4.708 -4.288 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.627 3.419 -4.144 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.624 4.876 -5.797 1.00 0.00 C ATOM 0 H LEU A 80 -7.937 7.641 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.253 5.956 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.786 6.575 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.035 5.468 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.834 4.684 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.108 2.602 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.745 3.179 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.609 3.557 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.103 4.007 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.598 4.968 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.037 5.773 -5.993 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.282 8.878 -3.537 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.154 9.880 -2.929 1.00 0.00 C ATOM 1258 C ASP A 81 -12.577 9.763 -3.480 1.00 0.00 C ATOM 1259 O ASP A 81 -13.543 9.955 -2.743 1.00 0.00 O ATOM 1260 CB ASP A 81 -10.591 11.272 -3.255 1.00 0.00 C ATOM 1261 CG ASP A 81 -11.193 12.394 -2.415 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -10.785 12.528 -1.236 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -11.923 13.239 -2.985 1.00 0.00 O ATOM 0 H ASP A 81 -9.495 9.294 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.191 9.723 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.511 11.260 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.766 11.486 -4.309 1.00 0.00 H new ATOM 1268 N THR A 82 -12.703 9.416 -4.768 1.00 0.00 N ATOM 1269 CA THR A 82 -13.940 9.497 -5.548 1.00 0.00 C ATOM 1270 C THR A 82 -14.343 8.150 -6.170 1.00 0.00 C ATOM 1271 O THR A 82 -15.515 7.926 -6.459 1.00 0.00 O ATOM 1272 CB THR A 82 -13.768 10.594 -6.617 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.568 10.419 -7.368 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.689 11.983 -5.970 1.00 0.00 C ATOM 0 H THR A 82 -11.918 9.059 -5.312 1.00 0.00 H new ATOM 0 HA THR A 82 -14.761 9.757 -4.879 1.00 0.00 H new ATOM 0 HB THR A 82 -14.636 10.515 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.494 11.132 -8.037 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.568 12.739 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.606 12.178 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.837 12.020 -5.291 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.384 7.237 -6.342 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.548 5.843 -6.740 1.00 0.00 C ATOM 1284 C GLU A 83 -12.732 4.973 -5.762 1.00 0.00 C ATOM 1285 O GLU A 83 -11.720 4.373 -6.135 1.00 0.00 O ATOM 1286 CB GLU A 83 -13.041 5.653 -8.170 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.930 6.223 -9.278 1.00 0.00 C ATOM 1288 CD GLU A 83 -15.233 5.433 -9.477 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -15.171 4.296 -10.006 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -16.308 5.978 -9.138 1.00 0.00 O ATOM 0 H GLU A 83 -12.403 7.473 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.599 5.554 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.056 6.113 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.910 4.586 -8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.173 7.259 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.372 6.232 -10.214 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.141 4.872 -4.488 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.505 3.998 -3.507 1.00 0.00 C ATOM 1299 C PRO A 84 -12.661 2.521 -3.883 1.00 0.00 C ATOM 1300 O PRO A 84 -12.005 1.650 -3.312 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.152 4.311 -2.160 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.366 5.182 -2.471 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.246 5.604 -3.924 1.00 0.00 C ATOM 0 HA PRO A 84 -11.431 4.177 -3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.449 3.396 -1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.455 4.832 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.291 4.629 -2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.394 6.053 -1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.167 5.388 -4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.076 6.678 -4.000 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.512 2.226 -4.865 1.00 0.00 N ATOM 1312 CA GLU A 85 -13.678 0.922 -5.475 1.00 0.00 C ATOM 1313 C GLU A 85 -12.488 0.528 -6.364 1.00 0.00 C ATOM 1314 O GLU A 85 -12.480 -0.578 -6.895 1.00 0.00 O ATOM 1315 CB GLU A 85 -14.990 0.902 -6.270 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.168 0.824 -5.292 1.00 0.00 C ATOM 1317 CD GLU A 85 -17.543 0.770 -5.966 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -17.797 -0.126 -6.809 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -18.399 1.638 -5.676 1.00 0.00 O ATOM 0 H GLU A 85 -14.130 2.928 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.718 0.179 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.071 1.798 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.006 0.048 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.048 -0.060 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.134 1.690 -4.630 1.00 0.00 H new ATOM 1326 N LEU A 86 -11.475 1.377 -6.561 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.423 1.060 -7.526 1.00 0.00 C ATOM 1328 C LEU A 86 -9.512 -0.078 -7.081 1.00 0.00 C ATOM 1329 O LEU A 86 -8.895 -0.729 -7.932 1.00 0.00 O ATOM 1330 CB LEU A 86 -9.577 2.293 -7.884 1.00 0.00 C ATOM 1331 CG LEU A 86 -9.808 2.813 -9.316 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -8.628 3.711 -9.688 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -9.914 1.687 -10.354 1.00 0.00 C ATOM 0 H LEU A 86 -11.363 2.268 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.954 0.723 -8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.800 3.092 -7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.522 2.046 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.756 3.351 -9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.766 4.093 -10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.571 4.546 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.704 3.135 -9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.076 2.117 -11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.991 1.107 -10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.750 1.036 -10.100 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.431 -0.350 -5.776 1.00 0.00 N ATOM 1346 CA ILE A 87 -8.699 -1.508 -5.290 1.00 0.00 C ATOM 1347 C ILE A 87 -9.394 -2.786 -5.771 1.00 0.00 C ATOM 1348 O ILE A 87 -8.717 -3.780 -5.994 1.00 0.00 O ATOM 1349 CB ILE A 87 -8.522 -1.478 -3.758 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -7.921 -0.160 -3.214 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -7.620 -2.631 -3.316 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.769 0.482 -2.108 1.00 0.00 C ATOM 0 H ILE A 87 -9.863 0.216 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.690 -1.486 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.528 -1.569 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.921 -0.357 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.812 0.548 -4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.499 -2.604 -2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.072 -3.579 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.645 -2.533 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.291 1.402 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.762 0.710 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.857 -0.209 -1.270 1.00 0.00 H new ATOM 1364 N ASN A 88 -10.714 -2.800 -5.983 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.361 -3.967 -6.575 1.00 0.00 C ATOM 1366 C ASN A 88 -10.848 -4.152 -7.993 1.00 0.00 C ATOM 1367 O ASN A 88 -10.469 -5.247 -8.407 1.00 0.00 O ATOM 1368 CB ASN A 88 -12.866 -3.765 -6.686 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.602 -3.977 -5.373 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.180 -5.038 -5.146 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.553 -3.017 -4.468 1.00 0.00 N ATOM 0 H ASN A 88 -11.343 -2.029 -5.757 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.141 -4.825 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.064 -2.755 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.263 -4.453 -7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.000 -3.148 -3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.068 -2.144 -4.676 1.00 0.00 H new ATOM 1378 N LYS A 89 -10.936 -3.056 -8.742 1.00 0.00 N ATOM 1379 CA LYS A 89 -10.745 -2.943 -10.173 1.00 0.00 C ATOM 1380 C LYS A 89 -9.375 -3.472 -10.562 1.00 0.00 C ATOM 1381 O LYS A 89 -9.283 -4.372 -11.395 1.00 0.00 O ATOM 1382 CB LYS A 89 -10.971 -1.471 -10.536 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.166 -1.258 -11.468 1.00 0.00 C ATOM 1384 CD LYS A 89 -11.751 -1.324 -12.932 1.00 0.00 C ATOM 1385 CE LYS A 89 -12.960 -0.975 -13.803 1.00 0.00 C ATOM 1386 NZ LYS A 89 -12.599 -0.957 -15.231 1.00 0.00 N ATOM 0 H LYS A 89 -11.162 -2.154 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.453 -3.551 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.124 -0.897 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.072 -1.078 -11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.924 -2.016 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.622 -0.290 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.934 -0.629 -13.124 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.385 -2.321 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.755 -1.702 -13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.352 -0.001 -13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.437 -0.718 -15.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.857 -0.246 -15.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.247 -1.894 -15.512 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.324 -2.929 -9.952 1.00 0.00 N ATOM 1401 CA ASP A 90 -6.955 -3.410 -10.117 1.00 0.00 C ATOM 1402 C ASP A 90 -6.223 -3.061 -8.821 1.00 0.00 C ATOM 1403 O ASP A 90 -5.698 -1.948 -8.714 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.279 -2.770 -11.357 1.00 0.00 C ATOM 1405 CG ASP A 90 -5.439 -3.721 -12.222 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -5.404 -4.951 -11.989 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -4.759 -3.211 -13.144 1.00 0.00 O ATOM 0 H ASP A 90 -8.401 -2.132 -9.321 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.930 -4.485 -10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.054 -2.328 -11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.639 -1.955 -11.019 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.214 -3.933 -7.801 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.586 -3.608 -6.521 1.00 0.00 C ATOM 1414 C PRO A 91 -4.113 -3.243 -6.685 1.00 0.00 C ATOM 1415 O PRO A 91 -3.568 -2.444 -5.928 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.752 -4.848 -5.637 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.336 -5.946 -6.525 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.811 -5.259 -7.798 1.00 0.00 C ATOM 0 HA PRO A 91 -6.058 -2.733 -6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.794 -5.157 -5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.413 -4.638 -4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.586 -6.705 -6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.162 -6.452 -6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.507 -5.823 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.899 -5.194 -7.821 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.473 -3.812 -7.699 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.044 -3.831 -7.915 1.00 0.00 C ATOM 1428 C GLU A 92 -1.744 -3.206 -9.291 1.00 0.00 C ATOM 1429 O GLU A 92 -0.790 -3.588 -9.978 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.504 -5.255 -7.665 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.174 -5.982 -6.470 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.619 -7.353 -6.069 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -0.452 -7.691 -6.375 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -2.375 -8.087 -5.382 1.00 0.00 O ATOM 0 H GLU A 92 -3.978 -4.303 -8.437 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.499 -3.213 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.648 -5.851 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.430 -5.199 -7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.111 -5.327 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.232 -6.103 -6.702 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.588 -2.247 -9.704 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.451 -1.474 -10.928 1.00 0.00 C ATOM 1443 C GLY A 93 -2.734 0.004 -10.687 1.00 0.00 C ATOM 1444 O GLY A 93 -1.798 0.810 -10.649 1.00 0.00 O ATOM 0 H GLY A 93 -3.414 -1.986 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.443 -1.593 -11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.137 -1.859 -11.682 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.007 0.380 -10.514 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.423 1.755 -10.239 1.00 0.00 C ATOM 1450 C GLU A 94 -5.101 1.920 -8.886 1.00 0.00 C ATOM 1451 O GLU A 94 -5.175 3.048 -8.410 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.252 2.350 -11.387 1.00 0.00 C ATOM 1453 CG GLU A 94 -4.343 2.505 -12.597 1.00 0.00 C ATOM 1454 CD GLU A 94 -4.906 3.458 -13.633 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -4.738 4.693 -13.483 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -5.437 2.956 -14.648 1.00 0.00 O ATOM 0 H GLU A 94 -4.787 -0.275 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.504 2.338 -10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.094 1.700 -11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.666 3.315 -11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.368 2.865 -12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.185 1.529 -13.055 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.461 0.836 -8.196 1.00 0.00 N ATOM 1464 CA GLY A 95 -5.898 0.878 -6.802 1.00 0.00 C ATOM 1465 C GLY A 95 -4.741 1.045 -5.807 1.00 0.00 C ATOM 1466 O GLY A 95 -4.852 0.598 -4.664 1.00 0.00 O ATOM 0 H GLY A 95 -5.457 -0.103 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.600 1.702 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.438 -0.040 -6.570 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.645 1.709 -6.203 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.586 2.129 -5.283 1.00 0.00 C ATOM 1472 C TRP A 96 -3.165 3.080 -4.224 1.00 0.00 C ATOM 1473 O TRP A 96 -4.164 3.750 -4.503 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.390 2.693 -6.075 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.543 3.964 -6.850 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.000 4.041 -8.117 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.186 5.332 -6.464 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.024 5.359 -8.520 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.515 6.194 -7.551 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.646 5.949 -5.309 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.330 7.581 -7.496 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.467 7.349 -5.241 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.779 8.157 -6.345 1.00 0.00 C ATOM 0 H TRP A 96 -3.471 1.969 -7.174 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.190 1.277 -4.730 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.573 2.839 -5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.071 1.921 -6.776 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.301 3.199 -8.723 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.375 5.676 -9.424 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.366 5.338 -4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.610 8.201 -8.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.088 7.799 -4.335 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.595 9.220 -6.307 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.614 3.100 -3.001 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.042 4.033 -1.970 1.00 0.00 C ATOM 1496 C LEU A 97 -2.068 5.210 -2.007 1.00 0.00 C ATOM 1497 O LEU A 97 -2.508 6.275 -2.435 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.151 3.452 -0.547 1.00 0.00 C ATOM 1499 CG LEU A 97 -3.873 2.108 -0.311 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -2.928 1.167 0.432 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.133 2.217 0.561 1.00 0.00 C ATOM 0 H LEU A 97 -1.866 2.472 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.066 4.328 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.137 3.346 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.649 4.200 0.070 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.165 1.752 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.426 0.213 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.031 1.005 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.651 1.610 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.581 1.230 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.864 2.613 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.849 2.886 0.084 1.00 0.00 H new ATOM 1513 N PHE A 98 -0.773 5.089 -1.612 1.00 0.00 N ATOM 1514 CA PHE A 98 0.011 6.345 -1.540 1.00 0.00 C ATOM 1515 C PHE A 98 1.384 6.198 -2.178 1.00 0.00 C ATOM 1516 O PHE A 98 1.680 5.167 -2.784 1.00 0.00 O ATOM 1517 CB PHE A 98 0.002 6.926 -0.110 1.00 0.00 C ATOM 1518 CG PHE A 98 0.650 6.082 0.971 1.00 0.00 C ATOM 1519 CD1 PHE A 98 -0.082 5.063 1.608 1.00 0.00 C ATOM 1520 CD2 PHE A 98 1.978 6.325 1.365 1.00 0.00 C ATOM 1521 CE1 PHE A 98 0.507 4.296 2.633 1.00 0.00 C ATOM 1522 CE2 PHE A 98 2.559 5.560 2.396 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.826 4.547 3.032 1.00 0.00 C ATOM 0 H PHE A 98 -0.289 4.226 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.480 7.102 -2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.503 7.894 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.034 7.110 0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.101 4.868 1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.553 7.098 0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.060 3.512 3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.577 5.755 2.699 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.275 3.965 3.823 1.00 0.00 H new ATOM 1533 N LYS A 99 2.234 7.221 -2.093 1.00 0.00 N ATOM 1534 CA LYS A 99 3.643 7.087 -2.422 1.00 0.00 C ATOM 1535 C LYS A 99 4.482 7.783 -1.376 1.00 0.00 C ATOM 1536 O LYS A 99 4.048 8.761 -0.766 1.00 0.00 O ATOM 1537 CB LYS A 99 3.991 7.681 -3.781 1.00 0.00 C ATOM 1538 CG LYS A 99 3.119 7.234 -4.956 1.00 0.00 C ATOM 1539 CD LYS A 99 3.787 7.665 -6.258 1.00 0.00 C ATOM 1540 CE LYS A 99 2.861 7.401 -7.444 1.00 0.00 C ATOM 1541 NZ LYS A 99 3.419 8.016 -8.660 1.00 0.00 N ATOM 0 H LYS A 99 1.963 8.158 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 99 3.854 6.018 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.934 8.767 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.027 7.432 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.989 6.152 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.126 7.676 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.037 8.725 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.723 7.122 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.740 6.328 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.870 7.808 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.685 8.059 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.748 8.978 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.219 7.446 -9.002 1.00 0.00 H new ATOM 1555 N MET A 100 5.712 7.316 -1.219 1.00 0.00 N ATOM 1556 CA MET A 100 6.662 7.850 -0.265 1.00 0.00 C ATOM 1557 C MET A 100 8.065 7.750 -0.844 1.00 0.00 C ATOM 1558 O MET A 100 8.400 6.735 -1.454 1.00 0.00 O ATOM 1559 CB MET A 100 6.565 7.115 1.082 1.00 0.00 C ATOM 1560 CG MET A 100 6.024 5.673 1.027 1.00 0.00 C ATOM 1561 SD MET A 100 6.179 4.714 2.568 1.00 0.00 S ATOM 1562 CE MET A 100 7.873 5.096 3.081 1.00 0.00 C ATOM 0 H MET A 100 6.082 6.538 -1.765 1.00 0.00 H new ATOM 0 HA MET A 100 6.428 8.898 -0.077 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.557 7.093 1.534 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.925 7.697 1.746 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.971 5.710 0.747 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.546 5.138 0.233 1.00 0.00 H new ATOM 0 HE1 MET A 100 8.261 4.281 3.692 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.501 5.219 2.199 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.878 6.019 3.661 1.00 0.00 H new ATOM 1572 N GLU A 101 8.866 8.791 -0.637 1.00 0.00 N ATOM 1573 CA GLU A 101 10.312 8.791 -0.788 1.00 0.00 C ATOM 1574 C GLU A 101 10.859 7.830 0.261 1.00 0.00 C ATOM 1575 O GLU A 101 10.570 7.978 1.454 1.00 0.00 O ATOM 1576 CB GLU A 101 10.826 10.232 -0.617 1.00 0.00 C ATOM 1577 CG GLU A 101 12.328 10.412 -0.918 1.00 0.00 C ATOM 1578 CD GLU A 101 12.781 11.879 -0.802 1.00 0.00 C ATOM 1579 OE1 GLU A 101 11.937 12.799 -0.699 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.004 12.168 -0.808 1.00 0.00 O ATOM 0 H GLU A 101 8.504 9.699 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 101 10.641 8.458 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.255 10.889 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.631 10.555 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.909 9.800 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.540 10.048 -1.923 1.00 0.00 H new ATOM 1587 N ILE A 102 11.560 6.797 -0.198 1.00 0.00 N ATOM 1588 CA ILE A 102 12.227 5.836 0.663 1.00 0.00 C ATOM 1589 C ILE A 102 13.459 6.501 1.276 1.00 0.00 C ATOM 1590 O ILE A 102 14.066 7.392 0.670 1.00 0.00 O ATOM 1591 CB ILE A 102 12.580 4.553 -0.131 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.462 4.815 -1.372 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.279 3.823 -0.503 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.710 3.612 -2.289 1.00 0.00 C ATOM 0 H ILE A 102 11.680 6.605 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 102 11.566 5.527 1.473 1.00 0.00 H new ATOM 0 HB ILE A 102 13.189 3.920 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.998 5.606 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.427 5.193 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.517 2.918 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.739 3.557 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.658 4.476 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.341 3.915 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.208 2.822 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.758 3.242 -2.669 1.00 0.00 H new ATOM 1606 N SER A 103 13.861 6.029 2.451 1.00 0.00 N ATOM 1607 CA SER A 103 15.115 6.395 3.078 1.00 0.00 C ATOM 1608 C SER A 103 16.098 5.233 3.084 1.00 0.00 C ATOM 1609 O SER A 103 17.304 5.458 2.959 1.00 0.00 O ATOM 1610 CB SER A 103 14.858 6.898 4.500 1.00 0.00 C ATOM 1611 OG SER A 103 14.149 8.130 4.510 1.00 0.00 O ATOM 0 H SER A 103 13.310 5.369 3.000 1.00 0.00 H new ATOM 0 HA SER A 103 15.567 7.197 2.494 1.00 0.00 H new ATOM 0 HB2 SER A 103 14.291 6.149 5.052 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.809 7.023 5.018 1.00 0.00 H new ATOM 0 HG SER A 103 14.003 8.416 5.436 1.00 0.00 H new ATOM 1617 N ASP A 104 15.597 4.003 3.175 1.00 0.00 N ATOM 1618 CA ASP A 104 16.378 2.856 3.601 1.00 0.00 C ATOM 1619 C ASP A 104 16.012 1.740 2.626 1.00 0.00 C ATOM 1620 O ASP A 104 15.217 0.851 2.928 1.00 0.00 O ATOM 1621 CB ASP A 104 16.156 2.490 5.096 1.00 0.00 C ATOM 1622 CG ASP A 104 15.547 3.569 5.998 1.00 0.00 C ATOM 1623 OD1 ASP A 104 16.181 4.614 6.253 1.00 0.00 O ATOM 1624 OD2 ASP A 104 14.401 3.354 6.467 1.00 0.00 O ATOM 0 H ASP A 104 14.628 3.778 2.952 1.00 0.00 H new ATOM 0 HA ASP A 104 17.448 3.061 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 104 15.511 1.612 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 104 17.118 2.199 5.519 1.00 0.00 H new ATOM 1629 N GLU A 105 16.558 1.802 1.410 1.00 0.00 N ATOM 1630 CA GLU A 105 16.311 0.786 0.385 1.00 0.00 C ATOM 1631 C GLU A 105 16.931 -0.575 0.781 1.00 0.00 C ATOM 1632 O GLU A 105 16.623 -1.615 0.204 1.00 0.00 O ATOM 1633 CB GLU A 105 16.724 1.323 -1.004 1.00 0.00 C ATOM 1634 CG GLU A 105 18.019 0.735 -1.593 1.00 0.00 C ATOM 1635 CD GLU A 105 18.361 1.348 -2.955 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.942 2.460 -2.982 1.00 0.00 O ATOM 1637 OE2 GLU A 105 18.107 0.701 -4.000 1.00 0.00 O ATOM 0 H GLU A 105 17.180 2.553 1.109 1.00 0.00 H new ATOM 0 HA GLU A 105 15.243 0.580 0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.910 1.132 -1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.837 2.405 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.843 0.908 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.912 -0.345 -1.698 1.00 0.00 H new ATOM 1644 N GLY A 106 17.768 -0.589 1.817 1.00 0.00 N ATOM 1645 CA GLY A 106 18.320 -1.795 2.415 1.00 0.00 C ATOM 1646 C GLY A 106 17.300 -2.546 3.270 1.00 0.00 C ATOM 1647 O GLY A 106 17.534 -3.710 3.596 1.00 0.00 O ATOM 0 H GLY A 106 18.088 0.265 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.683 -2.454 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.180 -1.530 3.030 1.00 0.00 H new ATOM 1651 N GLU A 107 16.180 -1.912 3.633 1.00 0.00 N ATOM 1652 CA GLU A 107 15.095 -2.551 4.368 1.00 0.00 C ATOM 1653 C GLU A 107 14.114 -3.250 3.427 1.00 0.00 C ATOM 1654 O GLU A 107 13.338 -4.077 3.899 1.00 0.00 O ATOM 1655 CB GLU A 107 14.337 -1.503 5.198 1.00 0.00 C ATOM 1656 CG GLU A 107 15.160 -0.930 6.354 1.00 0.00 C ATOM 1657 CD GLU A 107 15.476 -1.966 7.428 1.00 0.00 C ATOM 1658 OE1 GLU A 107 14.552 -2.657 7.914 1.00 0.00 O ATOM 1659 OE2 GLU A 107 16.641 -2.005 7.884 1.00 0.00 O ATOM 0 H GLU A 107 16.004 -0.930 3.420 1.00 0.00 H new ATOM 0 HA GLU A 107 15.537 -3.301 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.027 -0.688 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.429 -1.955 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.093 -0.523 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.615 -0.101 6.805 1.00 0.00 H new ATOM 1666 N LEU A 108 14.131 -2.956 2.117 1.00 0.00 N ATOM 1667 CA LEU A 108 13.177 -3.563 1.185 1.00 0.00 C ATOM 1668 C LEU A 108 13.362 -5.081 1.180 1.00 0.00 C ATOM 1669 O LEU A 108 12.395 -5.836 1.208 1.00 0.00 O ATOM 1670 CB LEU A 108 13.374 -3.083 -0.258 1.00 0.00 C ATOM 1671 CG LEU A 108 13.440 -1.596 -0.605 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.464 -1.462 -2.127 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.360 -0.729 0.021 1.00 0.00 C ATOM 0 H LEU A 108 14.790 -2.308 1.686 1.00 0.00 H new ATOM 0 HA LEU A 108 12.184 -3.270 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.299 -3.533 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.562 -3.510 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 108 14.356 -1.205 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.511 -0.407 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.338 -1.978 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.560 -1.904 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.499 0.306 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.380 -1.077 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.425 -0.794 1.107 1.00 0.00 H new ATOM 1685 N GLU A 109 14.623 -5.519 1.157 1.00 0.00 N ATOM 1686 CA GLU A 109 15.008 -6.920 1.112 1.00 0.00 C ATOM 1687 C GLU A 109 14.490 -7.679 2.339 1.00 0.00 C ATOM 1688 O GLU A 109 14.299 -8.888 2.255 1.00 0.00 O ATOM 1689 CB GLU A 109 16.541 -7.022 1.037 1.00 0.00 C ATOM 1690 CG GLU A 109 17.179 -6.375 -0.204 1.00 0.00 C ATOM 1691 CD GLU A 109 16.795 -7.066 -1.513 1.00 0.00 C ATOM 1692 OE1 GLU A 109 17.110 -8.261 -1.682 1.00 0.00 O ATOM 1693 OE2 GLU A 109 16.206 -6.417 -2.412 1.00 0.00 O ATOM 0 H GLU A 109 15.423 -4.886 1.170 1.00 0.00 H new ATOM 0 HA GLU A 109 14.563 -7.375 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.964 -6.558 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.821 -8.075 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.880 -5.328 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.264 -6.392 -0.097 1.00 0.00 H new ATOM 1700 N ASP A 110 14.247 -6.988 3.458 1.00 0.00 N ATOM 1701 CA ASP A 110 13.823 -7.590 4.721 1.00 0.00 C ATOM 1702 C ASP A 110 12.305 -7.808 4.786 1.00 0.00 C ATOM 1703 O ASP A 110 11.798 -8.390 5.746 1.00 0.00 O ATOM 1704 CB ASP A 110 14.327 -6.714 5.879 1.00 0.00 C ATOM 1705 CG ASP A 110 14.298 -7.420 7.233 1.00 0.00 C ATOM 1706 OD1 ASP A 110 14.692 -8.608 7.313 1.00 0.00 O ATOM 1707 OD2 ASP A 110 13.999 -6.737 8.246 1.00 0.00 O ATOM 0 H ASP A 110 14.342 -5.974 3.509 1.00 0.00 H new ATOM 0 HA ASP A 110 14.262 -8.584 4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 110 15.347 -6.395 5.666 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.717 -5.813 5.935 1.00 0.00 H new ATOM 1712 N LEU A 111 11.574 -7.353 3.765 1.00 0.00 N ATOM 1713 CA LEU A 111 10.147 -7.583 3.544 1.00 0.00 C ATOM 1714 C LEU A 111 9.976 -8.775 2.601 1.00 0.00 C ATOM 1715 O LEU A 111 10.922 -9.514 2.323 1.00 0.00 O ATOM 1716 CB LEU A 111 9.511 -6.304 2.973 1.00 0.00 C ATOM 1717 CG LEU A 111 9.607 -5.071 3.887 1.00 0.00 C ATOM 1718 CD1 LEU A 111 9.051 -3.868 3.126 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.826 -5.249 5.197 1.00 0.00 C ATOM 0 H LEU A 111 11.988 -6.781 3.029 1.00 0.00 H new ATOM 0 HA LEU A 111 9.642 -7.818 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.989 -6.071 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.460 -6.501 2.762 1.00 0.00 H new ATOM 0 HG LEU A 111 10.653 -4.925 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.109 -2.980 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.636 -3.709 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.011 -4.056 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.927 -4.350 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.773 -5.419 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.223 -6.104 5.744 1.00 0.00 H new ATOM 1731 N LEU A 112 8.744 -9.021 2.161 1.00 0.00 N ATOM 1732 CA LEU A 112 8.345 -10.225 1.441 1.00 0.00 C ATOM 1733 C LEU A 112 8.367 -9.917 -0.051 1.00 0.00 C ATOM 1734 O LEU A 112 7.875 -8.860 -0.453 1.00 0.00 O ATOM 1735 CB LEU A 112 6.918 -10.611 1.871 1.00 0.00 C ATOM 1736 CG LEU A 112 6.746 -10.807 3.392 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.264 -10.782 3.754 1.00 0.00 C ATOM 1738 CD2 LEU A 112 7.405 -12.099 3.878 1.00 0.00 C ATOM 0 H LEU A 112 7.974 -8.367 2.301 1.00 0.00 H new ATOM 0 HA LEU A 112 9.023 -11.050 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.228 -9.837 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.634 -11.533 1.363 1.00 0.00 H new ATOM 0 HG LEU A 112 7.250 -9.983 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.150 -10.921 4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.835 -9.823 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.747 -11.584 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.261 -12.199 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.953 -12.951 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.472 -12.069 3.656 1.00 0.00 H new ATOM 1750 N ASP A 113 8.918 -10.812 -0.877 1.00 0.00 N ATOM 1751 CA ASP A 113 8.680 -10.789 -2.325 1.00 0.00 C ATOM 1752 C ASP A 113 7.263 -11.276 -2.631 1.00 0.00 C ATOM 1753 O ASP A 113 6.512 -11.673 -1.749 1.00 0.00 O ATOM 1754 CB ASP A 113 9.672 -11.685 -3.084 1.00 0.00 C ATOM 1755 CG ASP A 113 9.913 -11.317 -4.552 1.00 0.00 C ATOM 1756 OD1 ASP A 113 9.246 -10.414 -5.108 1.00 0.00 O ATOM 1757 OD2 ASP A 113 10.815 -11.913 -5.167 1.00 0.00 O ATOM 0 H ASP A 113 9.534 -11.564 -0.567 1.00 0.00 H new ATOM 0 HA ASP A 113 8.814 -9.758 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.628 -11.661 -2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.311 -12.713 -3.041 1.00 0.00 H new ATOM 1762 N GLU A 114 6.928 -11.299 -3.910 1.00 0.00 N ATOM 1763 CA GLU A 114 5.598 -11.547 -4.457 1.00 0.00 C ATOM 1764 C GLU A 114 5.135 -12.975 -4.190 1.00 0.00 C ATOM 1765 O GLU A 114 4.003 -13.197 -3.770 1.00 0.00 O ATOM 1766 CB GLU A 114 5.608 -11.246 -5.967 1.00 0.00 C ATOM 1767 CG GLU A 114 4.206 -11.319 -6.603 1.00 0.00 C ATOM 1768 CD GLU A 114 4.144 -10.645 -7.980 1.00 0.00 C ATOM 1769 OE1 GLU A 114 5.183 -10.576 -8.685 1.00 0.00 O ATOM 1770 OE2 GLU A 114 3.048 -10.194 -8.393 1.00 0.00 O ATOM 0 H GLU A 114 7.618 -11.135 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 114 4.888 -10.887 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.025 -10.252 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.266 -11.955 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.910 -12.363 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.485 -10.844 -5.938 1.00 0.00 H new ATOM 1777 N GLN A 115 5.996 -13.955 -4.459 1.00 0.00 N ATOM 1778 CA GLN A 115 5.683 -15.362 -4.274 1.00 0.00 C ATOM 1779 C GLN A 115 5.695 -15.694 -2.779 1.00 0.00 C ATOM 1780 O GLN A 115 4.816 -16.410 -2.308 1.00 0.00 O ATOM 1781 CB GLN A 115 6.685 -16.157 -5.118 1.00 0.00 C ATOM 1782 CG GLN A 115 6.961 -17.601 -4.696 1.00 0.00 C ATOM 1783 CD GLN A 115 5.761 -18.543 -4.625 1.00 0.00 C ATOM 1784 OE1 GLN A 115 5.796 -19.496 -3.847 1.00 0.00 O ATOM 1785 NE2 GLN A 115 4.747 -18.391 -5.464 1.00 0.00 N ATOM 0 H GLN A 115 6.937 -13.788 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 115 4.682 -15.627 -4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 115 6.326 -16.168 -6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 115 7.632 -15.617 -5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.684 -18.025 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.436 -17.583 -3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.729 -17.597 -6.104 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.984 -19.068 -5.470 1.00 0.00 H new ATOM 1794 N ALA A 116 6.650 -15.136 -2.031 1.00 0.00 N ATOM 1795 CA ALA A 116 6.693 -15.237 -0.579 1.00 0.00 C ATOM 1796 C ALA A 116 5.440 -14.626 0.058 1.00 0.00 C ATOM 1797 O ALA A 116 4.952 -15.130 1.068 1.00 0.00 O ATOM 1798 CB ALA A 116 7.954 -14.535 -0.072 1.00 0.00 C ATOM 0 H ALA A 116 7.421 -14.597 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 116 6.719 -16.289 -0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.997 -14.604 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.834 -15.014 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.931 -13.486 -0.368 1.00 0.00 H new ATOM 1804 N TYR A 117 4.913 -13.547 -0.519 1.00 0.00 N ATOM 1805 CA TYR A 117 3.662 -12.935 -0.106 1.00 0.00 C ATOM 1806 C TYR A 117 2.464 -13.819 -0.475 1.00 0.00 C ATOM 1807 O TYR A 117 1.589 -14.020 0.361 1.00 0.00 O ATOM 1808 CB TYR A 117 3.557 -11.529 -0.706 1.00 0.00 C ATOM 1809 CG TYR A 117 2.137 -11.028 -0.733 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.443 -10.858 0.479 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.464 -10.937 -1.967 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.054 -10.664 0.460 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.077 -10.732 -1.989 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.633 -10.616 -0.775 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.985 -10.503 -0.805 1.00 0.00 O ATOM 0 H TYR A 117 5.357 -13.068 -1.302 1.00 0.00 H new ATOM 0 HA TYR A 117 3.648 -12.840 0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.172 -10.841 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 117 3.957 -11.537 -1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.976 -10.877 1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.014 -11.025 -2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.490 -10.552 1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -0.446 -10.663 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.291 -10.483 -1.736 1.00 0.00 H new ATOM 1825 N GLN A 118 2.421 -14.383 -1.683 1.00 0.00 N ATOM 1826 CA GLN A 118 1.377 -15.327 -2.077 1.00 0.00 C ATOM 1827 C GLN A 118 1.302 -16.477 -1.071 1.00 0.00 C ATOM 1828 O GLN A 118 0.215 -16.836 -0.623 1.00 0.00 O ATOM 1829 CB GLN A 118 1.602 -15.774 -3.536 1.00 0.00 C ATOM 1830 CG GLN A 118 1.599 -17.286 -3.815 1.00 0.00 C ATOM 1831 CD GLN A 118 1.497 -17.606 -5.308 1.00 0.00 C ATOM 1832 OE1 GLN A 118 1.629 -16.732 -6.171 1.00 0.00 O ATOM 1833 NE2 GLN A 118 1.303 -18.866 -5.656 1.00 0.00 N ATOM 0 H GLN A 118 3.108 -14.198 -2.414 1.00 0.00 H new ATOM 0 HA GLN A 118 0.398 -14.849 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.830 -15.315 -4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.558 -15.371 -3.869 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.511 -17.728 -3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.763 -17.748 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.195 -19.582 -4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.261 -19.122 -6.642 1.00 0.00 H new ATOM 1842 N GLU A 119 2.450 -17.031 -0.685 1.00 0.00 N ATOM 1843 CA GLU A 119 2.545 -18.063 0.310 1.00 0.00 C ATOM 1844 C GLU A 119 2.067 -17.552 1.675 1.00 0.00 C ATOM 1845 O GLU A 119 1.379 -18.269 2.392 1.00 0.00 O ATOM 1846 CB GLU A 119 4.006 -18.522 0.312 1.00 0.00 C ATOM 1847 CG GLU A 119 4.346 -19.471 1.456 1.00 0.00 C ATOM 1848 CD GLU A 119 3.594 -20.808 1.422 1.00 0.00 C ATOM 1849 OE1 GLU A 119 2.873 -21.083 0.436 1.00 0.00 O ATOM 1850 OE2 GLU A 119 3.817 -21.654 2.321 1.00 0.00 O ATOM 0 H GLU A 119 3.353 -16.759 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 119 1.896 -18.910 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.224 -19.015 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.653 -17.647 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.417 -19.671 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.131 -18.972 2.401 1.00 0.00 H new