USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 408 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 Single : A 1 GLY N :NH3+ 176:sc= -0.381 (180deg=-0.522) USER MOD Single : A 6 SER OG : rot -31:sc= 0.154 USER MOD Single : A 8 GLN : amide:sc= -3.8! K(o=-3.8!,f=-0.25) USER MOD Single : A 13 SER OG : rot 160:sc= -0.181 USER MOD Single : A 14 GLN : amide:sc= -9.07! C(o=-9.1!,f=-7.2!) USER MOD Single : A 18 THR OG1 : rot -100:sc= 0.989 USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= -3.36! (180deg=-3.53!) USER MOD Single : A 22 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.5!) USER MOD Single : A 24 GLN : amide:sc= -2.6! K(o=-2.6!,f=-0.89) USER MOD Single : A 26 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.8) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0016) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -0.0605 (180deg=-0.296) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -9.29! C(o=-9.3!,f=-10!) USER MOD Single : A 48 GLN : amide:sc= -0.976 K(o=-0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.667 16.743 12.088 1.00 0.00 N ATOM 2 CA GLY A 1 -4.511 15.805 12.073 1.00 0.00 C ATOM 3 C GLY A 1 -4.528 14.849 13.233 1.00 0.00 C ATOM 4 O GLY A 1 -3.557 14.747 13.985 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.572 17.423 11.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.551 16.207 11.974 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.687 17.255 12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.518 15.240 11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.583 16.377 12.092 1.00 0.00 H new ATOM 10 N ARG A 2 -5.632 14.148 13.379 1.00 0.00 N ATOM 11 CA ARG A 2 -5.791 13.197 14.462 1.00 0.00 C ATOM 12 C ARG A 2 -6.625 11.999 14.022 1.00 0.00 C ATOM 13 O ARG A 2 -7.119 11.235 14.853 1.00 0.00 O ATOM 14 CB ARG A 2 -6.446 13.890 15.654 1.00 0.00 C ATOM 15 CG ARG A 2 -7.853 14.387 15.365 1.00 0.00 C ATOM 16 CD ARG A 2 -7.837 15.761 14.714 1.00 0.00 C ATOM 17 NE ARG A 2 -9.120 16.087 14.098 1.00 0.00 N ATOM 18 CZ ARG A 2 -9.841 17.158 14.416 1.00 0.00 C ATOM 19 NH1 ARG A 2 -9.404 18.004 15.340 1.00 0.00 N ATOM 20 NH2 ARG A 2 -10.997 17.387 13.810 1.00 0.00 N ATOM 0 H ARG A 2 -6.438 14.219 12.758 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.807 12.829 14.751 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.479 13.197 16.495 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.827 14.733 15.960 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.363 13.679 14.711 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.423 14.430 16.293 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.592 16.514 15.463 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.052 15.795 13.958 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.484 15.457 13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.514 17.833 15.808 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.958 18.825 15.583 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.336 16.741 13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.548 18.209 14.056 1.00 0.00 H new ATOM 34 N ARG A 3 -6.779 11.842 12.712 1.00 0.00 N ATOM 35 CA ARG A 3 -7.557 10.737 12.161 1.00 0.00 C ATOM 36 C ARG A 3 -6.652 9.758 11.425 1.00 0.00 C ATOM 37 O ARG A 3 -6.331 8.687 11.940 1.00 0.00 O ATOM 38 CB ARG A 3 -8.635 11.266 11.212 1.00 0.00 C ATOM 39 CG ARG A 3 -9.510 12.347 11.825 1.00 0.00 C ATOM 40 CD ARG A 3 -10.593 12.804 10.859 1.00 0.00 C ATOM 41 NE ARG A 3 -10.035 13.350 9.625 1.00 0.00 N ATOM 42 CZ ARG A 3 -10.752 14.001 8.715 1.00 0.00 C ATOM 43 NH1 ARG A 3 -12.052 14.193 8.902 1.00 0.00 N ATOM 44 NH2 ARG A 3 -10.171 14.464 7.617 1.00 0.00 N ATOM 0 H ARG A 3 -6.376 12.465 12.012 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.038 10.214 12.987 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.156 11.663 10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.266 10.436 10.895 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.971 11.969 12.737 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.892 13.199 12.109 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.244 11.963 10.621 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.213 13.560 11.341 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.038 13.225 9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.503 13.840 9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.600 14.693 8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.172 14.321 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.723 14.963 6.920 1.00 0.00 H new ATOM 58 N ARG A 4 -6.239 10.138 10.221 1.00 0.00 N ATOM 59 CA ARG A 4 -5.370 9.297 9.410 1.00 0.00 C ATOM 60 C ARG A 4 -4.094 10.043 9.045 1.00 0.00 C ATOM 61 O ARG A 4 -3.177 9.474 8.457 1.00 0.00 O ATOM 62 CB ARG A 4 -6.092 8.838 8.141 1.00 0.00 C ATOM 63 CG ARG A 4 -7.377 8.065 8.402 1.00 0.00 C ATOM 64 CD ARG A 4 -7.183 6.956 9.428 1.00 0.00 C ATOM 65 NE ARG A 4 -5.990 6.150 9.165 1.00 0.00 N ATOM 66 CZ ARG A 4 -5.921 4.843 9.402 1.00 0.00 C ATOM 67 NH1 ARG A 4 -6.965 4.202 9.910 1.00 0.00 N ATOM 68 NH2 ARG A 4 -4.805 4.177 9.137 1.00 0.00 N ATOM 0 H ARG A 4 -6.493 11.025 9.786 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.106 8.417 9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.324 9.712 7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.416 8.212 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.147 8.752 8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.736 7.634 7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.108 7.395 10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.061 6.310 9.430 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.168 6.615 8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.823 4.711 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.909 3.200 10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.998 4.667 8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.754 3.175 9.319 1.00 0.00 H new ATOM 82 N ARG A 5 -4.049 11.325 9.389 1.00 0.00 N ATOM 83 CA ARG A 5 -2.882 12.149 9.114 1.00 0.00 C ATOM 84 C ARG A 5 -1.787 11.902 10.145 1.00 0.00 C ATOM 85 O ARG A 5 -1.090 12.827 10.561 1.00 0.00 O ATOM 86 CB ARG A 5 -3.278 13.622 9.111 1.00 0.00 C ATOM 87 CG ARG A 5 -4.010 14.034 7.851 1.00 0.00 C ATOM 88 CD ARG A 5 -3.041 14.253 6.702 1.00 0.00 C ATOM 89 NE ARG A 5 -2.115 15.350 6.972 1.00 0.00 N ATOM 90 CZ ARG A 5 -1.682 16.198 6.044 1.00 0.00 C ATOM 91 NH1 ARG A 5 -2.097 16.083 4.790 1.00 0.00 N ATOM 92 NH2 ARG A 5 -0.836 17.164 6.372 1.00 0.00 N ATOM 0 H ARG A 5 -4.810 11.815 9.860 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.492 11.879 8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.911 13.824 9.975 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -2.383 14.234 9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.733 13.265 7.579 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.572 14.949 8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.477 13.338 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.600 14.466 5.791 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.781 15.473 7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.750 15.342 4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.763 16.735 4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.517 17.257 7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.504 17.815 5.660 1.00 0.00 H new ATOM 106 N SER A 6 -1.643 10.645 10.550 1.00 0.00 N ATOM 107 CA SER A 6 -0.633 10.274 11.534 1.00 0.00 C ATOM 108 C SER A 6 -0.092 8.881 11.265 1.00 0.00 C ATOM 109 O SER A 6 0.924 8.478 11.832 1.00 0.00 O ATOM 110 CB SER A 6 -1.202 10.364 12.951 1.00 0.00 C ATOM 111 OG SER A 6 -0.181 10.206 13.921 1.00 0.00 O ATOM 0 H SER A 6 -2.211 9.868 10.213 1.00 0.00 H new ATOM 0 HA SER A 6 0.194 10.979 11.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.693 11.327 13.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.963 9.596 13.090 1.00 0.00 H new ATOM 0 HG SER A 6 0.516 9.614 13.569 1.00 0.00 H new ATOM 117 N VAL A 7 -0.773 8.154 10.393 1.00 0.00 N ATOM 118 CA VAL A 7 -0.364 6.802 10.035 1.00 0.00 C ATOM 119 C VAL A 7 -0.715 6.496 8.589 1.00 0.00 C ATOM 120 O VAL A 7 -0.285 5.492 8.024 1.00 0.00 O ATOM 121 CB VAL A 7 -1.008 5.754 10.951 1.00 0.00 C ATOM 122 CG1 VAL A 7 -0.889 6.180 12.394 1.00 0.00 C ATOM 123 CG2 VAL A 7 -2.458 5.508 10.566 1.00 0.00 C ATOM 0 H VAL A 7 -1.615 8.478 9.918 1.00 0.00 H new ATOM 0 HA VAL A 7 0.717 6.752 10.161 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.475 4.812 10.827 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.350 5.428 13.035 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.164 6.285 12.657 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.395 7.135 12.534 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.890 4.761 11.232 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.020 6.438 10.652 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.506 5.149 9.538 1.00 0.00 H new ATOM 133 N GLN A 8 -1.506 7.381 8.005 1.00 0.00 N ATOM 134 CA GLN A 8 -1.955 7.246 6.635 1.00 0.00 C ATOM 135 C GLN A 8 -1.805 8.579 5.922 1.00 0.00 C ATOM 136 O GLN A 8 -2.772 9.318 5.732 1.00 0.00 O ATOM 137 CB GLN A 8 -3.405 6.788 6.639 1.00 0.00 C ATOM 138 CG GLN A 8 -4.013 6.612 5.257 1.00 0.00 C ATOM 139 CD GLN A 8 -5.260 5.744 5.270 1.00 0.00 C ATOM 140 OE1 GLN A 8 -5.584 5.095 4.276 1.00 0.00 O ATOM 141 NE2 GLN A 8 -5.966 5.720 6.399 1.00 0.00 N ATOM 0 H GLN A 8 -1.855 8.217 8.474 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.354 6.507 6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.473 5.841 7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.000 7.512 7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.261 7.591 4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.272 6.166 4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.664 6.273 7.201 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.809 5.149 6.461 1.00 0.00 H new ATOM 150 N TRP A 9 -0.577 8.873 5.537 1.00 0.00 N ATOM 151 CA TRP A 9 -0.250 10.122 4.872 1.00 0.00 C ATOM 152 C TRP A 9 0.664 9.887 3.680 1.00 0.00 C ATOM 153 O TRP A 9 0.824 10.737 2.805 1.00 0.00 O ATOM 154 CB TRP A 9 0.416 11.081 5.867 1.00 0.00 C ATOM 155 CG TRP A 9 0.889 10.455 7.147 1.00 0.00 C ATOM 156 CD1 TRP A 9 0.666 10.946 8.378 1.00 0.00 C ATOM 157 CD2 TRP A 9 1.654 9.253 7.337 1.00 0.00 C ATOM 158 NE1 TRP A 9 1.246 10.155 9.326 1.00 0.00 N ATOM 159 CE2 TRP A 9 1.850 9.100 8.716 1.00 0.00 C ATOM 160 CE3 TRP A 9 2.184 8.298 6.490 1.00 0.00 C ATOM 161 CZ2 TRP A 9 2.555 8.028 9.259 1.00 0.00 C ATOM 162 CZ3 TRP A 9 2.866 7.239 7.022 1.00 0.00 C ATOM 163 CH2 TRP A 9 3.050 7.100 8.394 1.00 0.00 C ATOM 0 H TRP A 9 0.222 8.254 5.676 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.175 10.566 4.504 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.268 11.552 5.377 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.291 11.874 6.110 1.00 0.00 H new ATOM 0 HD1 TRP A 9 0.104 11.844 8.588 1.00 0.00 H new ATOM 0 HE1 TRP A 9 1.229 10.327 10.331 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.061 8.387 5.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.703 7.937 10.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 3.273 6.490 6.359 1.00 0.00 H new ATOM 0 HH2 TRP A 9 3.591 6.247 8.777 1.00 0.00 H new ATOM 174 N CYS A 10 1.249 8.717 3.684 1.00 0.00 N ATOM 175 CA CYS A 10 2.178 8.272 2.668 1.00 0.00 C ATOM 176 C CYS A 10 2.043 6.769 2.588 1.00 0.00 C ATOM 177 O CYS A 10 2.381 6.123 1.595 1.00 0.00 O ATOM 178 CB CYS A 10 3.605 8.674 3.047 1.00 0.00 C ATOM 179 SG CYS A 10 4.824 8.411 1.716 1.00 0.00 S ATOM 0 H CYS A 10 1.090 8.024 4.415 1.00 0.00 H new ATOM 0 HA CYS A 10 1.961 8.729 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.612 9.726 3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.911 8.105 3.925 1.00 0.00 H new ATOM 184 N ALA A 11 1.534 6.246 3.697 1.00 0.00 N ATOM 185 CA ALA A 11 1.277 4.835 3.896 1.00 0.00 C ATOM 186 C ALA A 11 0.348 4.269 2.820 1.00 0.00 C ATOM 187 O ALA A 11 0.023 3.082 2.833 1.00 0.00 O ATOM 188 CB ALA A 11 0.675 4.656 5.284 1.00 0.00 C ATOM 0 H ALA A 11 1.283 6.815 4.505 1.00 0.00 H new ATOM 0 HA ALA A 11 2.213 4.282 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.472 3.600 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.377 5.020 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.255 5.221 5.353 1.00 0.00 H new ATOM 194 N VAL A 12 -0.080 5.129 1.895 1.00 0.00 N ATOM 195 CA VAL A 12 -0.960 4.720 0.806 1.00 0.00 C ATOM 196 C VAL A 12 -0.344 3.578 -0.001 1.00 0.00 C ATOM 197 O VAL A 12 -1.014 2.958 -0.828 1.00 0.00 O ATOM 198 CB VAL A 12 -1.266 5.906 -0.133 1.00 0.00 C ATOM 199 CG1 VAL A 12 -2.350 5.539 -1.136 1.00 0.00 C ATOM 200 CG2 VAL A 12 -1.673 7.131 0.672 1.00 0.00 C ATOM 0 H VAL A 12 0.172 6.117 1.881 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.891 4.373 1.255 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.359 6.143 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.548 6.391 -1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.018 4.693 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.262 5.270 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.885 7.958 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.565 6.903 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.861 7.411 1.343 1.00 0.00 H new ATOM 210 N SER A 13 0.938 3.305 0.247 1.00 0.00 N ATOM 211 CA SER A 13 1.647 2.231 -0.443 1.00 0.00 C ATOM 212 C SER A 13 0.844 0.935 -0.400 1.00 0.00 C ATOM 213 O SER A 13 -0.124 0.817 0.352 1.00 0.00 O ATOM 214 CB SER A 13 3.023 2.016 0.190 1.00 0.00 C ATOM 215 OG SER A 13 3.728 0.972 -0.459 1.00 0.00 O ATOM 0 H SER A 13 1.506 3.816 0.923 1.00 0.00 H new ATOM 0 HA SER A 13 1.775 2.521 -1.486 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.601 2.939 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.907 1.777 1.247 1.00 0.00 H new ATOM 0 HG SER A 13 4.686 1.058 -0.272 1.00 0.00 H new ATOM 221 N GLN A 14 1.256 -0.038 -1.202 1.00 0.00 N ATOM 222 CA GLN A 14 0.551 -1.312 -1.262 1.00 0.00 C ATOM 223 C GLN A 14 1.516 -2.497 -1.428 1.00 0.00 C ATOM 224 O GLN A 14 1.494 -3.420 -0.616 1.00 0.00 O ATOM 225 CB GLN A 14 -0.484 -1.271 -2.397 1.00 0.00 C ATOM 226 CG GLN A 14 -1.449 -2.448 -2.420 1.00 0.00 C ATOM 227 CD GLN A 14 -0.787 -3.777 -2.739 1.00 0.00 C ATOM 228 OE1 GLN A 14 -1.233 -4.828 -2.279 1.00 0.00 O ATOM 229 NE2 GLN A 14 0.275 -3.747 -3.535 1.00 0.00 N ATOM 0 H GLN A 14 2.068 0.029 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 14 0.035 -1.465 -0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.059 -0.349 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.043 -1.232 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.941 -2.521 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.227 -2.254 -3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.616 -2.856 -3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.750 -4.614 -3.784 1.00 0.00 H new ATOM 238 N PRO A 15 2.381 -2.500 -2.469 1.00 0.00 N ATOM 239 CA PRO A 15 3.321 -3.609 -2.702 1.00 0.00 C ATOM 240 C PRO A 15 4.345 -3.753 -1.584 1.00 0.00 C ATOM 241 O PRO A 15 5.096 -4.727 -1.536 1.00 0.00 O ATOM 242 CB PRO A 15 4.014 -3.227 -4.013 1.00 0.00 C ATOM 243 CG PRO A 15 3.860 -1.749 -4.106 1.00 0.00 C ATOM 244 CD PRO A 15 2.529 -1.441 -3.484 1.00 0.00 C ATOM 0 HA PRO A 15 2.807 -4.569 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.065 -3.516 -4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.553 -3.727 -4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.666 -1.237 -3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.894 -1.416 -5.143 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.514 -0.448 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.724 -1.471 -4.218 1.00 0.00 H new ATOM 252 N GLU A 16 4.368 -2.775 -0.689 1.00 0.00 N ATOM 253 CA GLU A 16 5.298 -2.780 0.431 1.00 0.00 C ATOM 254 C GLU A 16 4.556 -2.558 1.743 1.00 0.00 C ATOM 255 O GLU A 16 5.013 -2.971 2.810 1.00 0.00 O ATOM 256 CB GLU A 16 6.352 -1.691 0.225 1.00 0.00 C ATOM 257 CG GLU A 16 7.301 -1.517 1.400 1.00 0.00 C ATOM 258 CD GLU A 16 8.275 -0.373 1.198 1.00 0.00 C ATOM 259 OE1 GLU A 16 7.901 0.783 1.491 1.00 0.00 O ATOM 260 OE2 GLU A 16 9.411 -0.631 0.746 1.00 0.00 O ATOM 0 H GLU A 16 3.750 -1.964 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 16 5.791 -3.751 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.933 -1.927 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.848 -0.743 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.722 -1.341 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.858 -2.441 1.552 1.00 0.00 H new ATOM 267 N ALA A 17 3.406 -1.906 1.650 1.00 0.00 N ATOM 268 CA ALA A 17 2.586 -1.622 2.816 1.00 0.00 C ATOM 269 C ALA A 17 1.823 -2.860 3.264 1.00 0.00 C ATOM 270 O ALA A 17 1.909 -3.273 4.421 1.00 0.00 O ATOM 271 CB ALA A 17 1.614 -0.500 2.497 1.00 0.00 C ATOM 0 H ALA A 17 3.019 -1.562 0.771 1.00 0.00 H new ATOM 0 HA ALA A 17 3.242 -1.315 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.001 -0.290 3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.170 0.395 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.972 -0.799 1.668 1.00 0.00 H new ATOM 277 N THR A 18 1.074 -3.441 2.334 1.00 0.00 N ATOM 278 CA THR A 18 0.277 -4.626 2.614 1.00 0.00 C ATOM 279 C THR A 18 1.074 -5.713 3.298 1.00 0.00 C ATOM 280 O THR A 18 0.675 -6.181 4.346 1.00 0.00 O ATOM 281 CB THR A 18 -0.335 -5.230 1.348 1.00 0.00 C ATOM 282 OG1 THR A 18 0.699 -5.636 0.443 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.253 -4.239 0.667 1.00 0.00 C ATOM 0 H THR A 18 1.003 -3.106 1.373 1.00 0.00 H new ATOM 0 HA THR A 18 -0.513 -4.275 3.278 1.00 0.00 H new ATOM 0 HB THR A 18 -0.921 -6.102 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.809 -4.956 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.676 -4.692 -0.230 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.058 -3.962 1.347 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.688 -3.349 0.392 1.00 0.00 H new ATOM 291 N LYS A 19 2.189 -6.127 2.702 1.00 0.00 N ATOM 292 CA LYS A 19 2.998 -7.189 3.284 1.00 0.00 C ATOM 293 C LYS A 19 3.389 -6.838 4.718 1.00 0.00 C ATOM 294 O LYS A 19 3.192 -7.630 5.633 1.00 0.00 O ATOM 295 CB LYS A 19 4.223 -7.484 2.397 1.00 0.00 C ATOM 296 CG LYS A 19 5.556 -7.585 3.133 1.00 0.00 C ATOM 297 CD LYS A 19 6.267 -6.242 3.148 1.00 0.00 C ATOM 298 CE LYS A 19 6.638 -5.795 1.744 1.00 0.00 C ATOM 299 NZ LYS A 19 7.568 -4.632 1.761 1.00 0.00 N ATOM 0 H LYS A 19 2.548 -5.747 1.826 1.00 0.00 H new ATOM 0 HA LYS A 19 2.407 -8.104 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.049 -8.420 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.302 -6.700 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.387 -7.924 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.188 -8.331 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.624 -5.494 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.167 -6.312 3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.102 -6.624 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.734 -5.529 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.691 -4.272 0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.174 -3.881 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.490 -4.930 2.139 1.00 0.00 H new ATOM 313 N CYS A 20 3.884 -5.632 4.932 1.00 0.00 N ATOM 314 CA CYS A 20 4.278 -5.211 6.274 1.00 0.00 C ATOM 315 C CYS A 20 3.065 -5.233 7.212 1.00 0.00 C ATOM 316 O CYS A 20 3.163 -4.883 8.388 1.00 0.00 O ATOM 317 CB CYS A 20 4.855 -3.796 6.215 1.00 0.00 C ATOM 318 SG CYS A 20 6.001 -3.369 7.566 1.00 0.00 S ATOM 0 H CYS A 20 4.024 -4.930 4.205 1.00 0.00 H new ATOM 0 HA CYS A 20 5.033 -5.899 6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.376 -3.672 5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.030 -3.084 6.221 1.00 0.00 H new ATOM 323 N PHE A 21 1.926 -5.651 6.663 1.00 0.00 N ATOM 324 CA PHE A 21 0.665 -5.713 7.394 1.00 0.00 C ATOM 325 C PHE A 21 0.071 -7.125 7.358 1.00 0.00 C ATOM 326 O PHE A 21 -0.455 -7.620 8.354 1.00 0.00 O ATOM 327 CB PHE A 21 -0.313 -4.733 6.737 1.00 0.00 C ATOM 328 CG PHE A 21 -1.313 -4.114 7.665 1.00 0.00 C ATOM 329 CD1 PHE A 21 -1.880 -4.839 8.700 1.00 0.00 C ATOM 330 CD2 PHE A 21 -1.685 -2.793 7.493 1.00 0.00 C ATOM 331 CE1 PHE A 21 -2.802 -4.256 9.548 1.00 0.00 C ATOM 332 CE2 PHE A 21 -2.606 -2.202 8.336 1.00 0.00 C ATOM 333 CZ PHE A 21 -3.165 -2.934 9.366 1.00 0.00 C ATOM 0 H PHE A 21 1.853 -5.958 5.693 1.00 0.00 H new ATOM 0 HA PHE A 21 0.842 -5.451 8.437 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.260 -3.937 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.850 -5.256 5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.598 -5.871 8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.250 -2.217 6.690 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.238 -4.831 10.351 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.889 -1.170 8.190 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.884 -2.475 10.028 1.00 0.00 H new ATOM 343 N GLN A 22 0.172 -7.760 6.197 1.00 0.00 N ATOM 344 CA GLN A 22 -0.350 -9.098 5.979 1.00 0.00 C ATOM 345 C GLN A 22 0.766 -10.095 6.200 1.00 0.00 C ATOM 346 O GLN A 22 0.595 -11.103 6.887 1.00 0.00 O ATOM 347 CB GLN A 22 -0.903 -9.217 4.557 1.00 0.00 C ATOM 348 CG GLN A 22 -1.972 -8.187 4.230 1.00 0.00 C ATOM 349 CD GLN A 22 -2.428 -8.259 2.784 1.00 0.00 C ATOM 350 OE1 GLN A 22 -2.834 -7.254 2.200 1.00 0.00 O ATOM 351 NE2 GLN A 22 -2.364 -9.449 2.198 1.00 0.00 N ATOM 0 H GLN A 22 0.622 -7.356 5.376 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.162 -9.301 6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.082 -9.114 3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.319 -10.215 4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.830 -8.338 4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.585 -7.189 4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.021 -10.256 2.719 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.658 -9.556 1.227 1.00 0.00 H new ATOM 360 N TRP A 23 1.912 -9.806 5.593 1.00 0.00 N ATOM 361 CA TRP A 23 3.089 -10.631 5.766 1.00 0.00 C ATOM 362 C TRP A 23 3.391 -10.685 7.259 1.00 0.00 C ATOM 363 O TRP A 23 3.949 -11.639 7.761 1.00 0.00 O ATOM 364 CB TRP A 23 4.257 -10.071 4.910 1.00 0.00 C ATOM 365 CG TRP A 23 5.617 -10.070 5.538 1.00 0.00 C ATOM 366 CD1 TRP A 23 6.717 -10.739 5.116 1.00 0.00 C ATOM 367 CD2 TRP A 23 6.024 -9.324 6.662 1.00 0.00 C ATOM 368 NE1 TRP A 23 7.773 -10.503 5.954 1.00 0.00 N ATOM 369 CE2 TRP A 23 7.368 -9.626 6.916 1.00 0.00 C ATOM 370 CE3 TRP A 23 5.367 -8.451 7.485 1.00 0.00 C ATOM 371 CZ2 TRP A 23 8.056 -9.064 7.980 1.00 0.00 C ATOM 372 CZ3 TRP A 23 6.032 -7.899 8.529 1.00 0.00 C ATOM 373 CH2 TRP A 23 7.369 -8.204 8.779 1.00 0.00 C ATOM 0 H TRP A 23 2.045 -9.004 4.977 1.00 0.00 H new ATOM 0 HA TRP A 23 2.932 -11.651 5.414 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.310 -10.650 3.988 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.012 -9.047 4.630 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.755 -11.370 4.241 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.703 -10.913 5.873 1.00 0.00 H new ATOM 0 HE3 TRP A 23 4.331 -8.205 7.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.093 -9.299 8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.516 -7.209 9.180 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.868 -7.749 9.622 1.00 0.00 H new ATOM 384 N GLN A 24 2.993 -9.650 7.983 1.00 0.00 N ATOM 385 CA GLN A 24 3.217 -9.634 9.414 1.00 0.00 C ATOM 386 C GLN A 24 2.214 -10.535 10.113 1.00 0.00 C ATOM 387 O GLN A 24 2.490 -11.089 11.172 1.00 0.00 O ATOM 388 CB GLN A 24 3.101 -8.211 9.971 1.00 0.00 C ATOM 389 CG GLN A 24 3.567 -8.086 11.414 1.00 0.00 C ATOM 390 CD GLN A 24 3.372 -6.693 11.976 1.00 0.00 C ATOM 391 OE1 GLN A 24 2.465 -5.966 11.566 1.00 0.00 O ATOM 392 NE2 GLN A 24 4.221 -6.313 12.924 1.00 0.00 N ATOM 0 H GLN A 24 2.522 -8.826 7.609 1.00 0.00 H new ATOM 0 HA GLN A 24 4.226 -10.001 9.600 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.688 -7.536 9.348 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.063 -7.886 9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.022 -8.801 12.030 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.622 -8.353 11.475 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.957 -6.947 13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.137 -5.387 13.343 1.00 0.00 H new ATOM 401 N ARG A 25 1.044 -10.658 9.511 1.00 0.00 N ATOM 402 CA ARG A 25 -0.017 -11.487 10.057 1.00 0.00 C ATOM 403 C ARG A 25 -0.024 -12.853 9.383 1.00 0.00 C ATOM 404 O ARG A 25 -1.062 -13.499 9.261 1.00 0.00 O ATOM 405 CB ARG A 25 -1.358 -10.784 9.872 1.00 0.00 C ATOM 406 CG ARG A 25 -1.617 -9.706 10.909 1.00 0.00 C ATOM 407 CD ARG A 25 -3.103 -9.498 11.122 1.00 0.00 C ATOM 408 NE ARG A 25 -3.380 -8.393 12.036 1.00 0.00 N ATOM 409 CZ ARG A 25 -4.592 -7.882 12.229 1.00 0.00 C ATOM 410 NH1 ARG A 25 -5.636 -8.376 11.573 1.00 0.00 N ATOM 411 NH2 ARG A 25 -4.764 -6.878 13.077 1.00 0.00 N ATOM 0 H ARG A 25 0.803 -10.190 8.637 1.00 0.00 H new ATOM 0 HA ARG A 25 0.157 -11.640 11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.393 -10.338 8.878 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.158 -11.523 9.918 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.147 -9.984 11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.158 -8.771 10.588 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.582 -9.302 10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.543 -10.413 11.517 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.600 -7.991 12.555 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.509 -9.149 10.920 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.565 -7.982 11.723 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.965 -6.496 13.583 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.695 -6.488 13.223 1.00 0.00 H new ATOM 425 N ASN A 26 1.163 -13.278 8.963 1.00 0.00 N ATOM 426 CA ASN A 26 1.350 -14.555 8.282 1.00 0.00 C ATOM 427 C ASN A 26 2.796 -14.961 8.348 1.00 0.00 C ATOM 428 O ASN A 26 3.149 -16.005 8.896 1.00 0.00 O ATOM 429 CB ASN A 26 0.926 -14.426 6.818 1.00 0.00 C ATOM 430 CG ASN A 26 -0.577 -14.471 6.632 1.00 0.00 C ATOM 431 OD1 ASN A 26 -1.282 -15.194 7.335 1.00 0.00 O ATOM 432 ND2 ASN A 26 -1.073 -13.691 5.680 1.00 0.00 N ATOM 0 H ASN A 26 2.024 -12.746 9.085 1.00 0.00 H new ATOM 0 HA ASN A 26 0.739 -15.312 8.773 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.309 -13.488 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.382 -15.230 6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.078 -13.674 5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.449 -13.108 5.122 1.00 0.00 H new ATOM 439 N MET A 27 3.624 -14.122 7.777 1.00 0.00 N ATOM 440 CA MET A 27 5.043 -14.357 7.756 1.00 0.00 C ATOM 441 C MET A 27 5.610 -14.377 9.171 1.00 0.00 C ATOM 442 O MET A 27 6.720 -14.855 9.397 1.00 0.00 O ATOM 443 CB MET A 27 5.735 -13.305 6.905 1.00 0.00 C ATOM 444 CG MET A 27 6.647 -13.901 5.845 1.00 0.00 C ATOM 445 SD MET A 27 5.738 -14.787 4.565 1.00 0.00 S ATOM 446 CE MET A 27 7.078 -15.288 3.487 1.00 0.00 C ATOM 0 H MET A 27 3.333 -13.260 7.316 1.00 0.00 H new ATOM 0 HA MET A 27 5.228 -15.335 7.312 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.981 -12.685 6.420 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.319 -12.650 7.551 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.232 -13.104 5.385 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.354 -14.581 6.320 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.676 -15.849 2.643 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.599 -14.404 3.120 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.775 -15.916 4.041 1.00 0.00 H new ATOM 456 N ARG A 28 4.831 -13.875 10.127 1.00 0.00 N ATOM 457 CA ARG A 28 5.265 -13.853 11.520 1.00 0.00 C ATOM 458 C ARG A 28 5.606 -15.264 11.957 1.00 0.00 C ATOM 459 O ARG A 28 6.464 -15.485 12.812 1.00 0.00 O ATOM 460 CB ARG A 28 4.163 -13.297 12.417 1.00 0.00 C ATOM 461 CG ARG A 28 2.926 -14.175 12.436 1.00 0.00 C ATOM 462 CD ARG A 28 1.712 -13.438 12.962 1.00 0.00 C ATOM 463 NE ARG A 28 0.496 -13.901 12.309 1.00 0.00 N ATOM 464 CZ ARG A 28 -0.723 -13.736 12.812 1.00 0.00 C ATOM 465 NH1 ARG A 28 -0.885 -13.119 13.975 1.00 0.00 N ATOM 466 NH2 ARG A 28 -1.780 -14.189 12.154 1.00 0.00 N ATOM 0 H ARG A 28 3.904 -13.482 9.964 1.00 0.00 H new ATOM 0 HA ARG A 28 6.142 -13.211 11.607 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.545 -13.192 13.433 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.890 -12.299 12.074 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.722 -14.535 11.428 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.114 -15.052 13.056 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.630 -13.587 14.039 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.832 -12.367 12.797 1.00 0.00 H new ATOM 0 HE ARG A 28 0.585 -14.380 11.413 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.073 -12.770 14.485 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.821 -12.993 14.360 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.659 -14.665 11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.715 -14.062 12.541 1.00 0.00 H new ATOM 480 N LYS A 29 4.910 -16.215 11.350 1.00 0.00 N ATOM 481 CA LYS A 29 5.104 -17.620 11.639 1.00 0.00 C ATOM 482 C LYS A 29 6.249 -18.174 10.807 1.00 0.00 C ATOM 483 O LYS A 29 6.991 -19.045 11.262 1.00 0.00 O ATOM 484 CB LYS A 29 3.821 -18.394 11.338 1.00 0.00 C ATOM 485 CG LYS A 29 2.589 -17.800 11.987 1.00 0.00 C ATOM 486 CD LYS A 29 1.403 -17.821 11.038 1.00 0.00 C ATOM 487 CE LYS A 29 0.171 -17.236 11.695 1.00 0.00 C ATOM 488 NZ LYS A 29 -0.952 -17.077 10.732 1.00 0.00 N ATOM 0 H LYS A 29 4.197 -16.030 10.645 1.00 0.00 H new ATOM 0 HA LYS A 29 5.350 -17.732 12.695 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.672 -18.429 10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.939 -19.423 11.677 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.345 -18.359 12.890 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.795 -16.774 12.293 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.643 -17.255 10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.201 -18.846 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.143 -17.881 12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.417 -16.267 12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.791 -16.721 11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.680 -16.401 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.171 -17.997 10.299 1.00 0.00 H new ATOM 502 N VAL A 30 6.392 -17.666 9.583 1.00 0.00 N ATOM 503 CA VAL A 30 7.459 -18.145 8.704 1.00 0.00 C ATOM 504 C VAL A 30 8.696 -17.233 8.663 1.00 0.00 C ATOM 505 O VAL A 30 9.442 -17.147 9.639 1.00 0.00 O ATOM 506 CB VAL A 30 6.956 -18.399 7.278 1.00 0.00 C ATOM 507 CG1 VAL A 30 6.330 -19.769 7.181 1.00 0.00 C ATOM 508 CG2 VAL A 30 5.959 -17.351 6.886 1.00 0.00 C ATOM 0 H VAL A 30 5.798 -16.939 9.184 1.00 0.00 H new ATOM 0 HA VAL A 30 7.775 -19.089 9.149 1.00 0.00 H new ATOM 0 HB VAL A 30 7.805 -18.351 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.977 -19.937 6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.071 -20.526 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.490 -19.835 7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.610 -17.543 5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.113 -17.379 7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.428 -16.368 6.928 1.00 0.00 H new ATOM 518 N ARG A 31 8.904 -16.556 7.532 1.00 0.00 N ATOM 519 CA ARG A 31 10.078 -15.701 7.333 1.00 0.00 C ATOM 520 C ARG A 31 9.930 -14.307 7.925 1.00 0.00 C ATOM 521 O ARG A 31 10.920 -13.669 8.263 1.00 0.00 O ATOM 522 CB ARG A 31 10.367 -15.582 5.835 1.00 0.00 C ATOM 523 CG ARG A 31 10.101 -14.195 5.270 1.00 0.00 C ATOM 524 CD ARG A 31 10.558 -14.077 3.827 1.00 0.00 C ATOM 525 NE ARG A 31 10.244 -12.767 3.261 1.00 0.00 N ATOM 526 CZ ARG A 31 10.656 -12.361 2.064 1.00 0.00 C ATOM 527 NH1 ARG A 31 11.400 -13.158 1.308 1.00 0.00 N ATOM 528 NH2 ARG A 31 10.327 -11.155 1.621 1.00 0.00 N ATOM 0 H ARG A 31 8.270 -16.583 6.734 1.00 0.00 H new ATOM 0 HA ARG A 31 10.903 -16.179 7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.409 -15.845 5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.756 -16.307 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.035 -13.975 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.616 -13.450 5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.633 -14.248 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.080 -14.854 3.230 1.00 0.00 H new ATOM 0 HE ARG A 31 9.676 -12.127 3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.658 -14.086 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.714 -12.843 0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.757 -10.537 2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.644 -10.845 0.702 1.00 0.00 H new ATOM 542 N GLY A 32 8.696 -13.881 8.081 1.00 0.00 N ATOM 543 CA GLY A 32 8.384 -12.541 8.548 1.00 0.00 C ATOM 544 C GLY A 32 9.222 -11.989 9.685 1.00 0.00 C ATOM 545 O GLY A 32 8.939 -12.251 10.855 1.00 0.00 O ATOM 0 H GLY A 32 7.875 -14.454 7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.472 -11.860 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.340 -12.527 8.861 1.00 0.00 H new ATOM 549 N PRO A 33 10.275 -11.213 9.358 1.00 0.00 N ATOM 550 CA PRO A 33 11.103 -10.538 10.361 1.00 0.00 C ATOM 551 C PRO A 33 10.248 -9.569 11.185 1.00 0.00 C ATOM 552 O PRO A 33 9.074 -9.373 10.879 1.00 0.00 O ATOM 553 CB PRO A 33 12.123 -9.754 9.514 1.00 0.00 C ATOM 554 CG PRO A 33 11.538 -9.707 8.140 1.00 0.00 C ATOM 555 CD PRO A 33 10.773 -10.975 7.994 1.00 0.00 C ATOM 0 HA PRO A 33 11.569 -11.227 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.276 -8.751 9.911 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.095 -10.248 9.511 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.889 -8.840 8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.318 -9.629 7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.958 -10.876 7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.406 -11.792 7.646 1.00 0.00 H new ATOM 563 N PRO A 34 10.805 -8.954 12.243 1.00 0.00 N ATOM 564 CA PRO A 34 10.053 -8.004 13.071 1.00 0.00 C ATOM 565 C PRO A 34 9.823 -6.668 12.359 1.00 0.00 C ATOM 566 O PRO A 34 10.670 -5.775 12.417 1.00 0.00 O ATOM 567 CB PRO A 34 10.956 -7.810 14.291 1.00 0.00 C ATOM 568 CG PRO A 34 12.332 -8.086 13.789 1.00 0.00 C ATOM 569 CD PRO A 34 12.186 -9.141 12.727 1.00 0.00 C ATOM 0 HA PRO A 34 9.056 -8.372 13.314 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.874 -6.798 14.687 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.684 -8.491 15.097 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.786 -7.183 13.381 1.00 0.00 H new ATOM 0 HG3 PRO A 34 12.979 -8.432 14.595 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.913 -9.008 11.926 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.337 -10.142 13.132 1.00 0.00 H new ATOM 577 N VAL A 35 8.674 -6.532 11.687 1.00 0.00 N ATOM 578 CA VAL A 35 8.354 -5.299 10.968 1.00 0.00 C ATOM 579 C VAL A 35 6.879 -4.935 11.085 1.00 0.00 C ATOM 580 O VAL A 35 5.998 -5.730 10.759 1.00 0.00 O ATOM 581 CB VAL A 35 8.691 -5.389 9.463 1.00 0.00 C ATOM 582 CG1 VAL A 35 8.834 -3.999 8.866 1.00 0.00 C ATOM 583 CG2 VAL A 35 9.951 -6.211 9.226 1.00 0.00 C ATOM 0 H VAL A 35 7.957 -7.255 11.628 1.00 0.00 H new ATOM 0 HA VAL A 35 8.969 -4.532 11.438 1.00 0.00 H new ATOM 0 HB VAL A 35 7.866 -5.897 8.964 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.071 -4.081 7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.898 -3.453 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.635 -3.464 9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.161 -6.255 8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.791 -5.746 9.742 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.804 -7.221 9.609 1.00 0.00 H new ATOM 593 N SER A 36 6.628 -3.724 11.555 1.00 0.00 N ATOM 594 CA SER A 36 5.274 -3.199 11.685 1.00 0.00 C ATOM 595 C SER A 36 5.214 -1.848 10.988 1.00 0.00 C ATOM 596 O SER A 36 4.486 -0.942 11.395 1.00 0.00 O ATOM 597 CB SER A 36 4.884 -3.057 13.155 1.00 0.00 C ATOM 598 OG SER A 36 5.751 -2.162 13.831 1.00 0.00 O ATOM 0 H SER A 36 7.355 -3.076 11.858 1.00 0.00 H new ATOM 0 HA SER A 36 4.569 -3.890 11.223 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.857 -2.698 13.229 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.916 -4.033 13.638 1.00 0.00 H new ATOM 0 HG SER A 36 5.478 -2.088 14.769 1.00 0.00 H new ATOM 604 N CYS A 37 6.002 -1.743 9.927 1.00 0.00 N ATOM 605 CA CYS A 37 6.124 -0.519 9.147 1.00 0.00 C ATOM 606 C CYS A 37 4.860 -0.161 8.364 1.00 0.00 C ATOM 607 O CYS A 37 4.720 -0.503 7.189 1.00 0.00 O ATOM 608 CB CYS A 37 7.313 -0.643 8.195 1.00 0.00 C ATOM 609 SG CYS A 37 7.093 -1.818 6.805 1.00 0.00 S ATOM 0 H CYS A 37 6.579 -2.510 9.581 1.00 0.00 H new ATOM 0 HA CYS A 37 6.280 0.294 9.856 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.531 0.343 7.784 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.187 -0.948 8.771 1.00 0.00 H new ATOM 614 N ILE A 38 3.941 0.530 9.022 1.00 0.00 N ATOM 615 CA ILE A 38 2.708 0.968 8.375 1.00 0.00 C ATOM 616 C ILE A 38 2.235 2.289 8.952 1.00 0.00 C ATOM 617 O ILE A 38 1.962 3.238 8.217 1.00 0.00 O ATOM 618 CB ILE A 38 1.585 -0.081 8.494 1.00 0.00 C ATOM 619 CG1 ILE A 38 1.873 -1.048 9.645 1.00 0.00 C ATOM 620 CG2 ILE A 38 1.425 -0.836 7.183 1.00 0.00 C ATOM 621 CD1 ILE A 38 0.717 -1.970 9.968 1.00 0.00 C ATOM 0 H ILE A 38 4.023 0.800 10.002 1.00 0.00 H new ATOM 0 HA ILE A 38 2.938 1.097 7.317 1.00 0.00 H new ATOM 0 HB ILE A 38 0.649 0.435 8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.746 -1.649 9.393 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.128 -0.473 10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.628 -1.573 7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.173 -0.135 6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.359 -1.342 6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.994 -2.626 10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.153 -1.377 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.476 -2.572 9.092 1.00 0.00 H new ATOM 633 N LYS A 39 2.138 2.344 10.270 1.00 0.00 N ATOM 634 CA LYS A 39 1.707 3.562 10.939 1.00 0.00 C ATOM 635 C LYS A 39 2.854 4.556 10.941 1.00 0.00 C ATOM 636 O LYS A 39 2.680 5.739 11.231 1.00 0.00 O ATOM 637 CB LYS A 39 1.243 3.287 12.372 1.00 0.00 C ATOM 638 CG LYS A 39 0.169 2.214 12.486 1.00 0.00 C ATOM 639 CD LYS A 39 0.750 0.809 12.429 1.00 0.00 C ATOM 640 CE LYS A 39 1.628 0.513 13.635 1.00 0.00 C ATOM 641 NZ LYS A 39 0.871 0.617 14.912 1.00 0.00 N ATOM 0 H LYS A 39 2.350 1.566 10.895 1.00 0.00 H new ATOM 0 HA LYS A 39 0.856 3.973 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.104 2.988 12.970 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.862 4.213 12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.373 2.343 13.423 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.554 2.339 11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.061 0.082 12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.335 0.694 11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.047 -0.489 13.542 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.467 1.209 13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.417 0.170 15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.712 1.619 15.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.045 0.135 14.813 1.00 0.00 H new ATOM 655 N ARG A 40 4.032 4.041 10.619 1.00 0.00 N ATOM 656 CA ARG A 40 5.239 4.842 10.539 1.00 0.00 C ATOM 657 C ARG A 40 5.615 5.026 9.077 1.00 0.00 C ATOM 658 O ARG A 40 5.037 4.378 8.203 1.00 0.00 O ATOM 659 CB ARG A 40 6.382 4.163 11.299 1.00 0.00 C ATOM 660 CG ARG A 40 6.378 2.646 11.178 1.00 0.00 C ATOM 661 CD ARG A 40 5.497 2.002 12.239 1.00 0.00 C ATOM 662 NE ARG A 40 5.932 2.349 13.590 1.00 0.00 N ATOM 663 CZ ARG A 40 5.519 1.717 14.685 1.00 0.00 C ATOM 664 NH1 ARG A 40 4.664 0.708 14.591 1.00 0.00 N ATOM 665 NH2 ARG A 40 5.963 2.095 15.876 1.00 0.00 N ATOM 0 H ARG A 40 4.175 3.054 10.406 1.00 0.00 H new ATOM 0 HA ARG A 40 5.059 5.815 10.995 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.332 4.546 10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.319 4.435 12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.024 2.360 10.188 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.397 2.270 11.273 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.465 2.321 12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.516 0.919 12.118 1.00 0.00 H new ATOM 0 HE ARG A 40 6.590 3.120 13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.321 0.414 13.677 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.350 0.226 15.433 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.621 2.870 15.952 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.646 1.610 16.716 1.00 0.00 H new ATOM 679 N ASP A 41 6.570 5.900 8.803 1.00 0.00 N ATOM 680 CA ASP A 41 6.984 6.142 7.439 1.00 0.00 C ATOM 681 C ASP A 41 8.457 6.477 7.368 1.00 0.00 C ATOM 682 O ASP A 41 8.878 7.338 6.594 1.00 0.00 O ATOM 683 CB ASP A 41 6.144 7.241 6.823 1.00 0.00 C ATOM 684 CG ASP A 41 6.182 8.527 7.626 1.00 0.00 C ATOM 685 OD1 ASP A 41 5.663 8.535 8.762 1.00 0.00 O ATOM 686 OD2 ASP A 41 6.730 9.528 7.118 1.00 0.00 O ATOM 0 H ASP A 41 7.068 6.448 9.505 1.00 0.00 H new ATOM 0 HA ASP A 41 6.828 5.228 6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.497 7.439 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.112 6.900 6.739 1.00 0.00 H new ATOM 691 N SER A 42 9.232 5.799 8.200 1.00 0.00 N ATOM 692 CA SER A 42 10.669 5.974 8.231 1.00 0.00 C ATOM 693 C SER A 42 11.219 5.821 6.815 1.00 0.00 C ATOM 694 O SER A 42 10.467 5.493 5.896 1.00 0.00 O ATOM 695 CB SER A 42 11.272 4.921 9.168 1.00 0.00 C ATOM 696 OG SER A 42 10.966 5.210 10.521 1.00 0.00 O ATOM 0 H SER A 42 8.880 5.115 8.870 1.00 0.00 H new ATOM 0 HA SER A 42 10.930 6.966 8.600 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.888 3.935 8.907 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.353 4.887 9.035 1.00 0.00 H new ATOM 0 HG SER A 42 11.360 4.524 11.099 1.00 0.00 H new ATOM 702 N PRO A 43 12.519 6.076 6.592 1.00 0.00 N ATOM 703 CA PRO A 43 13.122 5.926 5.264 1.00 0.00 C ATOM 704 C PRO A 43 13.006 4.500 4.714 1.00 0.00 C ATOM 705 O PRO A 43 13.737 4.125 3.797 1.00 0.00 O ATOM 706 CB PRO A 43 14.597 6.294 5.483 1.00 0.00 C ATOM 707 CG PRO A 43 14.808 6.210 6.957 1.00 0.00 C ATOM 708 CD PRO A 43 13.493 6.569 7.579 1.00 0.00 C ATOM 0 HA PRO A 43 12.617 6.553 4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 43 15.257 5.608 4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.812 7.296 5.111 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.119 5.207 7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 43 15.593 6.894 7.279 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.361 6.092 8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 43 13.400 7.644 7.737 1.00 0.00 H new ATOM 716 N ILE A 44 12.087 3.707 5.274 1.00 0.00 N ATOM 717 CA ILE A 44 11.887 2.335 4.824 1.00 0.00 C ATOM 718 C ILE A 44 10.435 2.102 4.398 1.00 0.00 C ATOM 719 O ILE A 44 10.039 0.977 4.093 1.00 0.00 O ATOM 720 CB ILE A 44 12.258 1.325 5.931 1.00 0.00 C ATOM 721 CG1 ILE A 44 13.501 1.802 6.690 1.00 0.00 C ATOM 722 CG2 ILE A 44 12.496 -0.055 5.336 1.00 0.00 C ATOM 723 CD1 ILE A 44 13.812 0.982 7.925 1.00 0.00 C ATOM 0 H ILE A 44 11.474 3.995 6.037 1.00 0.00 H new ATOM 0 HA ILE A 44 12.542 2.180 3.966 1.00 0.00 H new ATOM 0 HB ILE A 44 11.426 1.258 6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.359 1.772 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.361 2.843 6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.756 -0.754 6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.590 -0.396 4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.312 -0.005 4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.704 1.378 8.410 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.971 1.032 8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.985 -0.055 7.639 1.00 0.00 H new ATOM 735 N GLN A 45 9.645 3.174 4.376 1.00 0.00 N ATOM 736 CA GLN A 45 8.237 3.080 3.992 1.00 0.00 C ATOM 737 C GLN A 45 7.862 4.127 2.950 1.00 0.00 C ATOM 738 O GLN A 45 7.736 3.821 1.765 1.00 0.00 O ATOM 739 CB GLN A 45 7.340 3.254 5.215 1.00 0.00 C ATOM 740 CG GLN A 45 7.570 2.220 6.295 1.00 0.00 C ATOM 741 CD GLN A 45 8.465 2.727 7.405 1.00 0.00 C ATOM 742 OE1 GLN A 45 9.677 2.509 7.392 1.00 0.00 O ATOM 743 NE2 GLN A 45 7.872 3.424 8.367 1.00 0.00 N ATOM 0 H GLN A 45 9.954 4.115 4.619 1.00 0.00 H new ATOM 0 HA GLN A 45 8.089 2.091 3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.503 4.246 5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.298 3.209 4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.610 1.920 6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.016 1.330 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.864 3.580 8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.424 3.804 9.136 1.00 0.00 H new ATOM 752 N CYS A 46 7.675 5.360 3.410 1.00 0.00 N ATOM 753 CA CYS A 46 7.294 6.467 2.539 1.00 0.00 C ATOM 754 C CYS A 46 8.229 6.580 1.336 1.00 0.00 C ATOM 755 O CYS A 46 9.450 6.511 1.477 1.00 0.00 O ATOM 756 CB CYS A 46 7.307 7.774 3.330 1.00 0.00 C ATOM 757 SG CYS A 46 6.547 9.183 2.461 1.00 0.00 S ATOM 0 H CYS A 46 7.782 5.619 4.391 1.00 0.00 H new ATOM 0 HA CYS A 46 6.289 6.272 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.784 7.619 4.274 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.339 8.027 3.575 1.00 0.00 H new ATOM 762 N ILE A 47 7.644 6.753 0.153 1.00 0.00 N ATOM 763 CA ILE A 47 8.420 6.886 -1.078 1.00 0.00 C ATOM 764 C ILE A 47 7.850 7.994 -1.959 1.00 0.00 C ATOM 765 O ILE A 47 6.948 7.759 -2.764 1.00 0.00 O ATOM 766 CB ILE A 47 8.441 5.567 -1.880 1.00 0.00 C ATOM 767 CG1 ILE A 47 9.013 4.434 -1.028 1.00 0.00 C ATOM 768 CG2 ILE A 47 9.256 5.735 -3.157 1.00 0.00 C ATOM 769 CD1 ILE A 47 8.820 3.060 -1.634 1.00 0.00 C ATOM 0 H ILE A 47 6.634 6.804 0.021 1.00 0.00 H new ATOM 0 HA ILE A 47 9.440 7.137 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 47 7.417 5.312 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.078 4.608 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.543 4.457 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.261 4.797 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.811 6.517 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.279 6.012 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.251 2.307 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.755 2.865 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.315 3.018 -2.604 1.00 0.00 H new ATOM 781 N GLN A 48 8.382 9.202 -1.800 1.00 0.00 N ATOM 782 CA GLN A 48 7.923 10.347 -2.579 1.00 0.00 C ATOM 783 C GLN A 48 9.043 11.363 -2.772 1.00 0.00 C ATOM 784 O GLN A 48 9.673 11.800 -1.809 1.00 0.00 O ATOM 785 CB GLN A 48 6.728 11.009 -1.888 1.00 0.00 C ATOM 786 CG GLN A 48 6.194 12.228 -2.623 1.00 0.00 C ATOM 787 CD GLN A 48 4.983 12.839 -1.943 1.00 0.00 C ATOM 788 OE1 GLN A 48 4.108 13.403 -2.599 1.00 0.00 O ATOM 789 NE2 GLN A 48 4.928 12.734 -0.619 1.00 0.00 N ATOM 0 H GLN A 48 9.130 9.413 -1.140 1.00 0.00 H new ATOM 0 HA GLN A 48 7.616 9.988 -3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.927 10.277 -1.787 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.020 11.303 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.982 12.978 -2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.929 11.945 -3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.675 12.258 -0.114 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.138 13.129 -0.108 1.00 0.00 H new ATOM 798 N ALA A 49 9.285 11.736 -4.026 1.00 0.00 N ATOM 799 CA ALA A 49 10.327 12.702 -4.352 1.00 0.00 C ATOM 800 C ALA A 49 9.766 14.120 -4.391 1.00 0.00 C ATOM 801 O ALA A 49 9.275 14.532 -5.464 1.00 0.00 O ATOM 802 CB ALA A 49 10.974 12.352 -5.683 1.00 0.00 C ATOM 803 OXT ALA A 49 9.819 14.807 -3.349 1.00 0.00 O ATOM 0 H ALA A 49 8.772 11.382 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 49 11.085 12.660 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.750 13.082 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.417 11.358 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.219 12.365 -6.469 1.00 0.00 H new TER 809 ALA A 49