USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 791 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 66 LYS NZ :NH3+ 176:sc= 0.0632 (180deg=-0.324) USER MOD Set 1.2: A 67 ASN : amide:sc=-0.00623 K(o=0.057,f=-12!) USER MOD Set 2.1: A 30 CYS SG : rot -160:sc= -0.151 USER MOD Set 2.2: A 33 CYS SG : rot 71:sc= -0.31 USER MOD Set 3.1: A 1 MET N :NH3+ 138:sc= 0.0176 (180deg=-0.281) USER MOD Set 3.2: A 44 SER OG : rot -21:sc= 0.525 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.195 (180deg=-0.835) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 4 GLN : amide:sc= -3.97! C(o=-4!,f=-3.5!) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0412 (180deg=-0.267) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 30:sc= -0.877 USER MOD Single : A 28 THR OG1 : rot -27:sc= -0.226! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -160:sc= -0.195 (180deg=-0.903) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -126:sc= -4.57! USER MOD Single : A 49 GLN : amide:sc= -0.0953 X(o=-0.095,f=-0.095) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= -3.76! (180deg=-3.93!) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.397 F(o=-2.3,f=-0.4) USER MOD Single : A 70 SER OG : rot -17:sc= 0.895 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 120:sc= -5.59! USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.21) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= -0.0229 (180deg=-0.262) USER MOD Single : A 91 ASN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.211 X(o=0.21,f=0) USER MOD Single : A 102 ASN : amide:sc= -2.83 X(o=-2.8,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.481 12.528 3.135 1.00 0.00 N ATOM 2 CA MET A 1 -1.653 11.905 3.805 1.00 0.00 C ATOM 3 C MET A 1 -1.826 10.453 3.374 1.00 0.00 C ATOM 4 O MET A 1 -0.984 9.902 2.663 1.00 0.00 O ATOM 5 CB MET A 1 -2.903 12.712 3.450 1.00 0.00 C ATOM 6 CG MET A 1 -3.193 12.755 1.958 1.00 0.00 C ATOM 7 SD MET A 1 -4.675 13.705 1.566 1.00 0.00 S ATOM 8 CE MET A 1 -5.919 12.779 2.462 1.00 0.00 C ATOM 0 H1 MET A 1 -0.726 13.492 2.832 1.00 0.00 H new ATOM 0 H2 MET A 1 0.318 12.567 3.799 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.214 11.961 2.305 1.00 0.00 H new ATOM 0 HA MET A 1 -1.494 11.912 4.883 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.762 12.283 3.967 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.785 13.731 3.819 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.339 13.190 1.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.309 11.737 1.585 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.903 12.990 2.042 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.710 11.713 2.377 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.903 13.070 3.512 1.00 0.00 H new ATOM 20 N VAL A 2 -2.922 9.839 3.807 1.00 0.00 N ATOM 21 CA VAL A 2 -3.204 8.451 3.463 1.00 0.00 C ATOM 22 C VAL A 2 -4.670 8.272 3.078 1.00 0.00 C ATOM 23 O VAL A 2 -5.555 8.904 3.656 1.00 0.00 O ATOM 24 CB VAL A 2 -2.868 7.505 4.631 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.076 6.055 4.224 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.441 7.732 5.109 1.00 0.00 C ATOM 0 H VAL A 2 -3.628 10.280 4.396 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.574 8.197 2.611 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.544 7.726 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.833 5.403 5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.116 5.904 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.428 5.817 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.222 7.055 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.748 7.541 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.330 8.763 5.446 1.00 0.00 H new ATOM 36 N THR A 3 -4.920 7.410 2.099 1.00 0.00 N ATOM 37 CA THR A 3 -6.279 7.150 1.637 1.00 0.00 C ATOM 38 C THR A 3 -6.412 5.722 1.116 1.00 0.00 C ATOM 39 O THR A 3 -5.413 5.052 0.860 1.00 0.00 O ATOM 40 CB THR A 3 -6.660 8.147 0.539 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.554 9.478 1.012 1.00 0.00 O ATOM 42 CG2 THR A 3 -8.068 7.960 0.015 1.00 0.00 C ATOM 0 H THR A 3 -4.200 6.879 1.610 1.00 0.00 H new ATOM 0 HA THR A 3 -6.957 7.271 2.482 1.00 0.00 H new ATOM 0 HB THR A 3 -5.960 7.957 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.800 10.100 0.296 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.269 8.700 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.170 6.959 -0.404 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.780 8.086 0.831 1.00 0.00 H new ATOM 50 N GLN A 4 -7.649 5.264 0.960 1.00 0.00 N ATOM 51 CA GLN A 4 -7.911 3.916 0.465 1.00 0.00 C ATOM 52 C GLN A 4 -8.398 3.967 -0.978 1.00 0.00 C ATOM 53 O GLN A 4 -8.484 5.040 -1.574 1.00 0.00 O ATOM 54 CB GLN A 4 -8.963 3.214 1.330 1.00 0.00 C ATOM 55 CG GLN A 4 -8.627 3.176 2.817 1.00 0.00 C ATOM 56 CD GLN A 4 -8.796 4.513 3.531 1.00 0.00 C ATOM 57 OE1 GLN A 4 -8.249 4.710 4.617 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.578 5.424 2.958 1.00 0.00 N ATOM 0 H GLN A 4 -8.487 5.806 1.169 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.979 3.353 0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.920 3.718 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.089 2.192 0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.262 2.435 3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.597 2.841 2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.015 5.227 2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.740 6.319 3.419 1.00 0.00 H new ATOM 67 N PHE A 5 -8.726 2.805 -1.534 1.00 0.00 N ATOM 68 CA PHE A 5 -9.216 2.733 -2.905 1.00 0.00 C ATOM 69 C PHE A 5 -10.495 1.910 -2.998 1.00 0.00 C ATOM 70 O PHE A 5 -10.573 0.798 -2.474 1.00 0.00 O ATOM 71 CB PHE A 5 -8.158 2.144 -3.838 1.00 0.00 C ATOM 72 CG PHE A 5 -6.940 3.008 -4.011 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.047 4.392 -4.020 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.692 2.435 -4.198 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.931 5.186 -4.210 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.574 3.225 -4.384 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.694 4.601 -4.393 1.00 0.00 C ATOM 0 H PHE A 5 -8.662 1.905 -1.059 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.436 3.753 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.849 1.173 -3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.608 1.970 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.013 4.854 -3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.592 1.360 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.027 6.262 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.606 2.767 -4.522 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.821 5.219 -4.543 1.00 0.00 H new ATOM 87 N LYS A 6 -11.491 2.465 -3.679 1.00 0.00 N ATOM 88 CA LYS A 6 -12.771 1.791 -3.864 1.00 0.00 C ATOM 89 C LYS A 6 -13.001 1.459 -5.339 1.00 0.00 C ATOM 90 O LYS A 6 -13.811 0.595 -5.672 1.00 0.00 O ATOM 91 CB LYS A 6 -13.912 2.663 -3.339 1.00 0.00 C ATOM 92 CG LYS A 6 -13.817 2.960 -1.852 1.00 0.00 C ATOM 93 CD LYS A 6 -13.844 1.684 -1.027 1.00 0.00 C ATOM 94 CE LYS A 6 -13.760 1.981 0.461 1.00 0.00 C ATOM 95 NZ LYS A 6 -14.896 2.826 0.925 1.00 0.00 N ATOM 0 H LYS A 6 -11.436 3.386 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.749 0.859 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.921 3.604 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.861 2.166 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.897 3.508 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.644 3.604 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.760 1.133 -1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.012 1.043 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.753 1.044 1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.819 2.487 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.938 2.811 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.757 3.804 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.786 2.454 0.537 1.00 0.00 H new ATOM 109 N THR A 7 -12.282 2.148 -6.220 1.00 0.00 N ATOM 110 CA THR A 7 -12.405 1.923 -7.653 1.00 0.00 C ATOM 111 C THR A 7 -11.039 2.007 -8.325 1.00 0.00 C ATOM 112 O THR A 7 -10.239 2.889 -8.015 1.00 0.00 O ATOM 113 CB THR A 7 -13.357 2.946 -8.274 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.881 4.264 -8.068 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.761 2.874 -7.715 1.00 0.00 C ATOM 0 H THR A 7 -11.607 2.868 -5.964 1.00 0.00 H new ATOM 0 HA THR A 7 -12.812 0.924 -7.809 1.00 0.00 H new ATOM 0 HB THR A 7 -13.392 2.699 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.503 4.904 -8.474 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.384 3.626 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.177 1.884 -7.902 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.735 3.060 -6.641 1.00 0.00 H new ATOM 123 N ALA A 8 -10.772 1.081 -9.241 1.00 0.00 N ATOM 124 CA ALA A 8 -9.494 1.056 -9.945 1.00 0.00 C ATOM 125 C ALA A 8 -9.176 2.411 -10.558 1.00 0.00 C ATOM 126 O ALA A 8 -8.010 2.779 -10.704 1.00 0.00 O ATOM 127 CB ALA A 8 -9.491 -0.029 -11.010 1.00 0.00 C ATOM 0 H ALA A 8 -11.420 0.341 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.715 0.828 -9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.530 -0.032 -11.524 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.655 -0.999 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.286 0.165 -11.729 1.00 0.00 H new ATOM 133 N SER A 9 -10.218 3.160 -10.892 1.00 0.00 N ATOM 134 CA SER A 9 -10.043 4.486 -11.464 1.00 0.00 C ATOM 135 C SER A 9 -9.266 5.377 -10.502 1.00 0.00 C ATOM 136 O SER A 9 -8.708 6.401 -10.899 1.00 0.00 O ATOM 137 CB SER A 9 -11.402 5.120 -11.752 1.00 0.00 C ATOM 138 OG SER A 9 -12.153 4.333 -12.659 1.00 0.00 O ATOM 0 H SER A 9 -11.190 2.872 -10.777 1.00 0.00 H new ATOM 0 HA SER A 9 -9.485 4.388 -12.395 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.957 5.235 -10.821 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.260 6.119 -12.164 1.00 0.00 H new ATOM 0 HG SER A 9 -13.019 4.761 -12.824 1.00 0.00 H new ATOM 144 N GLU A 10 -9.249 4.988 -9.230 1.00 0.00 N ATOM 145 CA GLU A 10 -8.559 5.754 -8.210 1.00 0.00 C ATOM 146 C GLU A 10 -7.116 5.296 -8.055 1.00 0.00 C ATOM 147 O GLU A 10 -6.214 6.106 -7.842 1.00 0.00 O ATOM 148 CB GLU A 10 -9.301 5.639 -6.880 1.00 0.00 C ATOM 149 CG GLU A 10 -8.722 6.517 -5.787 1.00 0.00 C ATOM 150 CD GLU A 10 -8.747 7.989 -6.148 1.00 0.00 C ATOM 151 OE1 GLU A 10 -9.850 8.525 -6.383 1.00 0.00 O ATOM 152 OE2 GLU A 10 -7.663 8.607 -6.196 1.00 0.00 O ATOM 0 H GLU A 10 -9.708 4.144 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.544 6.799 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.347 5.904 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.280 4.600 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.284 6.363 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.694 6.213 -5.588 1.00 0.00 H new ATOM 159 N PHE A 11 -6.910 3.994 -8.162 1.00 0.00 N ATOM 160 CA PHE A 11 -5.582 3.415 -8.033 1.00 0.00 C ATOM 161 C PHE A 11 -4.881 3.339 -9.391 1.00 0.00 C ATOM 162 O PHE A 11 -3.887 2.630 -9.548 1.00 0.00 O ATOM 163 CB PHE A 11 -5.666 2.018 -7.409 1.00 0.00 C ATOM 164 CG PHE A 11 -4.345 1.473 -6.929 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.181 2.227 -7.016 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.268 0.201 -6.382 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.975 1.724 -6.571 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.063 -0.305 -5.932 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.917 0.456 -6.028 1.00 0.00 C ATOM 0 H PHE A 11 -7.650 3.314 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.997 4.062 -7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.360 2.049 -6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.085 1.329 -8.143 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.220 3.220 -7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.161 -0.402 -6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.078 2.321 -6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.019 -1.296 -5.505 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.975 0.060 -5.679 1.00 0.00 H new ATOM 179 N ASP A 12 -5.400 4.071 -10.374 1.00 0.00 N ATOM 180 CA ASP A 12 -4.817 4.080 -11.710 1.00 0.00 C ATOM 181 C ASP A 12 -3.761 5.174 -11.829 1.00 0.00 C ATOM 182 O ASP A 12 -2.668 4.943 -12.344 1.00 0.00 O ATOM 183 CB ASP A 12 -5.907 4.286 -12.764 1.00 0.00 C ATOM 184 CG ASP A 12 -5.357 4.272 -14.178 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.772 3.245 -14.578 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.513 5.291 -14.884 1.00 0.00 O ATOM 0 H ASP A 12 -6.223 4.665 -10.269 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.338 3.116 -11.881 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.659 3.504 -12.662 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.409 5.236 -12.582 1.00 0.00 H new ATOM 191 N SER A 13 -4.097 6.365 -11.346 1.00 0.00 N ATOM 192 CA SER A 13 -3.180 7.496 -11.394 1.00 0.00 C ATOM 193 C SER A 13 -2.146 7.409 -10.274 1.00 0.00 C ATOM 194 O SER A 13 -1.062 7.982 -10.373 1.00 0.00 O ATOM 195 CB SER A 13 -3.953 8.812 -11.288 1.00 0.00 C ATOM 196 OG SER A 13 -3.077 9.925 -11.337 1.00 0.00 O ATOM 0 H SER A 13 -4.999 6.572 -10.916 1.00 0.00 H new ATOM 0 HA SER A 13 -2.657 7.465 -12.350 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.676 8.879 -12.101 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.518 8.831 -10.356 1.00 0.00 H new ATOM 0 HG SER A 13 -3.596 10.753 -11.269 1.00 0.00 H new ATOM 202 N ALA A 14 -2.488 6.686 -9.210 1.00 0.00 N ATOM 203 CA ALA A 14 -1.588 6.524 -8.073 1.00 0.00 C ATOM 204 C ALA A 14 -0.233 5.983 -8.515 1.00 0.00 C ATOM 205 O ALA A 14 0.810 6.536 -8.165 1.00 0.00 O ATOM 206 CB ALA A 14 -2.212 5.603 -7.034 1.00 0.00 C ATOM 0 H ALA A 14 -3.381 6.204 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.429 7.505 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.530 5.491 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.152 6.031 -6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.401 4.627 -7.480 1.00 0.00 H new ATOM 212 N ILE A 15 -0.255 4.901 -9.286 1.00 0.00 N ATOM 213 CA ILE A 15 0.974 4.289 -9.775 1.00 0.00 C ATOM 214 C ILE A 15 1.484 4.993 -11.027 1.00 0.00 C ATOM 215 O ILE A 15 2.656 5.356 -11.104 1.00 0.00 O ATOM 216 CB ILE A 15 0.788 2.781 -10.057 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.312 2.542 -11.097 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.470 2.043 -8.764 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.603 1.076 -11.343 1.00 0.00 C ATOM 0 H ILE A 15 -1.109 4.431 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 15 1.717 4.400 -8.985 1.00 0.00 H new ATOM 0 HB ILE A 15 1.721 2.393 -10.466 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.226 3.035 -10.767 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.019 3.009 -12.037 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.341 0.981 -8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.290 2.176 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.448 2.442 -8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.391 0.982 -12.090 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.299 0.581 -11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.927 0.608 -10.413 1.00 0.00 H new ATOM 231 N ALA A 16 0.602 5.184 -12.008 1.00 0.00 N ATOM 232 CA ALA A 16 0.965 5.837 -13.267 1.00 0.00 C ATOM 233 C ALA A 16 1.903 7.024 -13.056 1.00 0.00 C ATOM 234 O ALA A 16 1.459 8.139 -12.782 1.00 0.00 O ATOM 235 CB ALA A 16 -0.287 6.283 -14.007 1.00 0.00 C ATOM 0 H ALA A 16 -0.374 4.894 -11.955 1.00 0.00 H new ATOM 0 HA ALA A 16 1.502 5.103 -13.868 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.004 6.767 -14.942 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.911 5.416 -14.222 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.844 6.986 -13.388 1.00 0.00 H new ATOM 241 N GLN A 17 3.205 6.767 -13.194 1.00 0.00 N ATOM 242 CA GLN A 17 4.229 7.798 -13.027 1.00 0.00 C ATOM 243 C GLN A 17 3.896 8.740 -11.878 1.00 0.00 C ATOM 244 O GLN A 17 3.312 9.805 -12.082 1.00 0.00 O ATOM 245 CB GLN A 17 4.410 8.589 -14.323 1.00 0.00 C ATOM 246 CG GLN A 17 4.931 7.744 -15.474 1.00 0.00 C ATOM 247 CD GLN A 17 5.287 8.571 -16.692 1.00 0.00 C ATOM 248 OE1 GLN A 17 4.435 9.241 -17.275 1.00 0.00 O ATOM 249 NE2 GLN A 17 6.557 8.531 -17.081 1.00 0.00 N ATOM 0 H GLN A 17 3.577 5.845 -13.423 1.00 0.00 H new ATOM 0 HA GLN A 17 5.165 7.294 -12.785 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.455 9.030 -14.608 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.101 9.413 -14.144 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.811 7.192 -15.145 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.177 7.007 -15.748 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.230 7.962 -16.568 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.859 9.070 -17.893 1.00 0.00 H new ATOM 258 N ASP A 18 4.272 8.340 -10.671 1.00 0.00 N ATOM 259 CA ASP A 18 4.016 9.145 -9.491 1.00 0.00 C ATOM 260 C ASP A 18 4.899 8.696 -8.331 1.00 0.00 C ATOM 261 O ASP A 18 4.453 8.635 -7.187 1.00 0.00 O ATOM 262 CB ASP A 18 2.537 9.061 -9.102 1.00 0.00 C ATOM 263 CG ASP A 18 2.127 10.137 -8.113 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.682 10.167 -6.995 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.246 10.952 -8.459 1.00 0.00 O ATOM 0 H ASP A 18 4.756 7.461 -10.486 1.00 0.00 H new ATOM 0 HA ASP A 18 4.257 10.182 -9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.925 9.146 -10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.335 8.081 -8.670 1.00 0.00 H new ATOM 270 N LYS A 19 6.160 8.384 -8.632 1.00 0.00 N ATOM 271 CA LYS A 19 7.102 7.955 -7.612 1.00 0.00 C ATOM 272 C LYS A 19 6.697 6.598 -7.050 1.00 0.00 C ATOM 273 O LYS A 19 6.004 5.826 -7.713 1.00 0.00 O ATOM 274 CB LYS A 19 7.178 9.017 -6.512 1.00 0.00 C ATOM 275 CG LYS A 19 7.682 10.371 -6.994 1.00 0.00 C ATOM 276 CD LYS A 19 6.668 11.076 -7.883 1.00 0.00 C ATOM 277 CE LYS A 19 7.113 12.490 -8.219 1.00 0.00 C ATOM 278 NZ LYS A 19 6.126 13.193 -9.084 1.00 0.00 N ATOM 0 H LYS A 19 6.547 8.422 -9.575 1.00 0.00 H new ATOM 0 HA LYS A 19 8.092 7.842 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.188 9.144 -6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.834 8.658 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.908 11.000 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.613 10.236 -7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.531 10.508 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.701 11.107 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.255 13.054 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.079 12.456 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.467 14.154 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.009 12.669 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.211 13.248 -8.593 1.00 0.00 H new ATOM 292 N LEU A 20 7.138 6.303 -5.838 1.00 0.00 N ATOM 293 CA LEU A 20 6.826 5.030 -5.206 1.00 0.00 C ATOM 294 C LEU A 20 5.654 5.171 -4.247 1.00 0.00 C ATOM 295 O LEU A 20 5.731 5.883 -3.247 1.00 0.00 O ATOM 296 CB LEU A 20 8.043 4.503 -4.446 1.00 0.00 C ATOM 297 CG LEU A 20 7.796 3.215 -3.660 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.439 2.073 -4.597 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.012 2.864 -2.818 1.00 0.00 C ATOM 0 H LEU A 20 7.713 6.927 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 20 6.554 4.325 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.851 4.330 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.385 5.274 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 20 6.952 3.378 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.267 1.166 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.535 2.326 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.258 1.907 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.819 1.945 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.876 2.722 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.215 3.673 -2.117 1.00 0.00 H new ATOM 311 N VAL A 21 4.569 4.478 -4.563 1.00 0.00 N ATOM 312 CA VAL A 21 3.372 4.509 -3.739 1.00 0.00 C ATOM 313 C VAL A 21 3.257 3.237 -2.905 1.00 0.00 C ATOM 314 O VAL A 21 3.454 2.132 -3.411 1.00 0.00 O ATOM 315 CB VAL A 21 2.103 4.665 -4.600 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.862 4.747 -3.724 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.214 5.890 -5.496 1.00 0.00 C ATOM 0 H VAL A 21 4.495 3.885 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 21 3.458 5.371 -3.077 1.00 0.00 H new ATOM 0 HB VAL A 21 2.009 3.784 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.021 4.857 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.774 3.836 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.942 5.607 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.309 5.985 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.336 6.781 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.077 5.783 -6.154 1.00 0.00 H new ATOM 327 N VAL A 22 2.938 3.401 -1.628 1.00 0.00 N ATOM 328 CA VAL A 22 2.795 2.264 -0.729 1.00 0.00 C ATOM 329 C VAL A 22 1.325 1.905 -0.546 1.00 0.00 C ATOM 330 O VAL A 22 0.646 2.451 0.324 1.00 0.00 O ATOM 331 CB VAL A 22 3.425 2.554 0.648 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.322 1.336 1.555 1.00 0.00 C ATOM 333 CG2 VAL A 22 4.873 2.990 0.490 1.00 0.00 C ATOM 0 H VAL A 22 2.774 4.308 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 22 3.320 1.423 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 22 2.872 3.369 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.773 1.563 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.273 1.075 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.846 0.497 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.302 3.191 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.440 2.198 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.916 3.895 -0.116 1.00 0.00 H new ATOM 343 N VAL A 23 0.840 0.989 -1.375 1.00 0.00 N ATOM 344 CA VAL A 23 -0.550 0.563 -1.308 1.00 0.00 C ATOM 345 C VAL A 23 -0.682 -0.758 -0.560 1.00 0.00 C ATOM 346 O VAL A 23 -0.047 -1.752 -0.912 1.00 0.00 O ATOM 347 CB VAL A 23 -1.162 0.418 -2.714 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.633 0.041 -2.625 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.977 1.703 -3.508 1.00 0.00 C ATOM 0 H VAL A 23 1.389 0.528 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.095 1.336 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.641 -0.385 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.045 -0.056 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.734 -0.908 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.175 0.816 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.415 1.584 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.470 2.525 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.087 1.921 -3.605 1.00 0.00 H new ATOM 359 N ASP A 24 -1.509 -0.754 0.478 1.00 0.00 N ATOM 360 CA ASP A 24 -1.729 -1.943 1.290 1.00 0.00 C ATOM 361 C ASP A 24 -3.028 -2.641 0.894 1.00 0.00 C ATOM 362 O ASP A 24 -4.081 -2.012 0.816 1.00 0.00 O ATOM 363 CB ASP A 24 -1.765 -1.556 2.772 1.00 0.00 C ATOM 364 CG ASP A 24 -1.926 -2.754 3.687 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.956 -3.449 3.581 1.00 0.00 O ATOM 366 OD2 ASP A 24 -1.019 -2.996 4.512 1.00 0.00 O ATOM 0 H ASP A 24 -2.040 0.063 0.778 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.907 -2.638 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.845 -1.030 3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.588 -0.861 2.942 1.00 0.00 H new ATOM 371 N PHE A 25 -2.946 -3.945 0.646 1.00 0.00 N ATOM 372 CA PHE A 25 -4.103 -4.729 0.259 1.00 0.00 C ATOM 373 C PHE A 25 -4.664 -5.471 1.460 1.00 0.00 C ATOM 374 O PHE A 25 -4.928 -6.673 1.401 1.00 0.00 O ATOM 375 CB PHE A 25 -3.700 -5.724 -0.823 1.00 0.00 C ATOM 376 CG PHE A 25 -3.503 -5.118 -2.178 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.619 -4.068 -2.376 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.185 -5.628 -3.265 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.423 -3.540 -3.636 1.00 0.00 C ATOM 380 CE2 PHE A 25 -4.000 -5.103 -4.525 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.116 -4.057 -4.715 1.00 0.00 C ATOM 0 H PHE A 25 -2.080 -4.480 0.708 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.873 -4.061 -0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.776 -6.216 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.465 -6.497 -0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.078 -3.659 -1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.872 -6.449 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.730 -2.724 -3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.545 -5.508 -5.364 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.967 -3.645 -5.702 1.00 0.00 H new ATOM 391 N TYR A 26 -4.844 -4.740 2.552 1.00 0.00 N ATOM 392 CA TYR A 26 -5.376 -5.315 3.778 1.00 0.00 C ATOM 393 C TYR A 26 -6.648 -6.104 3.507 1.00 0.00 C ATOM 394 O TYR A 26 -7.533 -5.647 2.789 1.00 0.00 O ATOM 395 CB TYR A 26 -5.640 -4.211 4.807 1.00 0.00 C ATOM 396 CG TYR A 26 -6.356 -2.998 4.247 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.605 -3.112 3.646 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.781 -1.734 4.315 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.256 -2.007 3.135 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.425 -0.632 3.814 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.662 -0.766 3.225 1.00 0.00 C ATOM 402 OH TYR A 26 -8.306 0.340 2.719 1.00 0.00 O ATOM 0 H TYR A 26 -4.628 -3.745 2.613 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.634 -6.004 4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.233 -4.624 5.623 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.689 -3.893 5.234 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.074 -4.082 3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.809 -1.618 4.771 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.224 -2.114 2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.962 0.341 3.881 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.275 0.209 2.777 1.00 0.00 H new ATOM 412 N ALA A 27 -6.739 -7.293 4.083 1.00 0.00 N ATOM 413 CA ALA A 27 -7.914 -8.125 3.893 1.00 0.00 C ATOM 414 C ALA A 27 -9.151 -7.412 4.412 1.00 0.00 C ATOM 415 O ALA A 27 -9.062 -6.574 5.310 1.00 0.00 O ATOM 416 CB ALA A 27 -7.742 -9.462 4.592 1.00 0.00 C ATOM 0 H ALA A 27 -6.019 -7.700 4.681 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.038 -8.310 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.633 -10.071 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.874 -9.978 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.595 -9.298 5.660 1.00 0.00 H new ATOM 422 N THR A 28 -10.303 -7.742 3.850 1.00 0.00 N ATOM 423 CA THR A 28 -11.548 -7.121 4.271 1.00 0.00 C ATOM 424 C THR A 28 -12.044 -7.701 5.598 1.00 0.00 C ATOM 425 O THR A 28 -13.113 -7.331 6.085 1.00 0.00 O ATOM 426 CB THR A 28 -12.617 -7.291 3.196 1.00 0.00 C ATOM 427 OG1 THR A 28 -13.874 -6.833 3.666 1.00 0.00 O ATOM 428 CG2 THR A 28 -12.783 -8.725 2.738 1.00 0.00 C ATOM 0 H THR A 28 -10.402 -8.432 3.106 1.00 0.00 H new ATOM 0 HA THR A 28 -11.353 -6.059 4.419 1.00 0.00 H new ATOM 0 HB THR A 28 -12.275 -6.698 2.347 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.909 -6.918 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.558 -8.775 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.841 -9.086 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.069 -9.347 3.586 1.00 0.00 H new ATOM 436 N TRP A 29 -11.269 -8.618 6.173 1.00 0.00 N ATOM 437 CA TRP A 29 -11.628 -9.258 7.433 1.00 0.00 C ATOM 438 C TRP A 29 -10.477 -9.143 8.451 1.00 0.00 C ATOM 439 O TRP A 29 -9.998 -8.045 8.732 1.00 0.00 O ATOM 440 CB TRP A 29 -11.994 -10.727 7.166 1.00 0.00 C ATOM 441 CG TRP A 29 -11.004 -11.416 6.269 1.00 0.00 C ATOM 442 CD1 TRP A 29 -10.837 -11.197 4.933 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.031 -12.405 6.638 1.00 0.00 C ATOM 444 NE1 TRP A 29 -9.832 -11.992 4.444 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.318 -12.739 5.469 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.691 -13.045 7.836 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.290 -13.676 5.466 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.669 -13.971 7.830 1.00 0.00 C ATOM 449 CH2 TRP A 29 -7.976 -14.279 6.654 1.00 0.00 C ATOM 0 H TRP A 29 -10.382 -8.935 5.781 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.492 -8.752 7.864 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.052 -11.261 8.114 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -12.984 -10.774 6.712 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.413 -10.498 4.345 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.519 -12.022 3.474 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.220 -12.817 8.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.758 -13.919 4.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.398 -14.468 8.750 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.178 -15.006 6.684 1.00 0.00 H new ATOM 460 N CYS A 30 -10.038 -10.281 8.988 1.00 0.00 N ATOM 461 CA CYS A 30 -8.953 -10.332 9.955 1.00 0.00 C ATOM 462 C CYS A 30 -9.309 -9.576 11.233 1.00 0.00 C ATOM 463 O CYS A 30 -9.643 -10.182 12.251 1.00 0.00 O ATOM 464 CB CYS A 30 -7.688 -9.754 9.337 1.00 0.00 C ATOM 465 SG CYS A 30 -6.262 -9.741 10.451 1.00 0.00 S ATOM 0 H CYS A 30 -10.430 -11.195 8.760 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.783 -11.375 10.223 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.435 -10.330 8.447 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.889 -8.734 9.010 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.387 -8.878 10.026 1.00 0.00 H new ATOM 471 N GLY A 31 -9.227 -8.250 11.176 1.00 0.00 N ATOM 472 CA GLY A 31 -9.533 -7.433 12.334 1.00 0.00 C ATOM 473 C GLY A 31 -8.575 -6.265 12.474 1.00 0.00 C ATOM 474 O GLY A 31 -8.904 -5.142 12.089 1.00 0.00 O ATOM 0 H GLY A 31 -8.953 -7.726 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.553 -7.058 12.254 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.489 -8.048 13.233 1.00 0.00 H new ATOM 478 N PRO A 32 -7.369 -6.499 13.019 1.00 0.00 N ATOM 479 CA PRO A 32 -6.362 -5.448 13.198 1.00 0.00 C ATOM 480 C PRO A 32 -5.644 -5.097 11.895 1.00 0.00 C ATOM 481 O PRO A 32 -4.415 -5.066 11.841 1.00 0.00 O ATOM 482 CB PRO A 32 -5.386 -6.074 14.192 1.00 0.00 C ATOM 483 CG PRO A 32 -5.469 -7.537 13.923 1.00 0.00 C ATOM 484 CD PRO A 32 -6.892 -7.809 13.505 1.00 0.00 C ATOM 0 HA PRO A 32 -6.803 -4.510 13.536 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.373 -5.700 14.043 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.664 -5.843 15.220 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.771 -7.829 13.139 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.208 -8.111 14.812 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.942 -8.568 12.725 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.493 -8.170 14.340 1.00 0.00 H new ATOM 492 N CYS A 33 -6.420 -4.828 10.850 1.00 0.00 N ATOM 493 CA CYS A 33 -5.863 -4.474 9.547 1.00 0.00 C ATOM 494 C CYS A 33 -6.178 -3.018 9.201 1.00 0.00 C ATOM 495 O CYS A 33 -5.429 -2.369 8.470 1.00 0.00 O ATOM 496 CB CYS A 33 -6.421 -5.400 8.464 1.00 0.00 C ATOM 497 SG CYS A 33 -5.830 -7.101 8.577 1.00 0.00 S ATOM 0 H CYS A 33 -7.439 -4.848 10.879 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.781 -4.593 9.595 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.509 -5.399 8.525 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.157 -4.999 7.486 1.00 0.00 H new ATOM 0 HG CYS A 33 -6.362 -7.677 9.614 1.00 0.00 H new ATOM 503 N LYS A 34 -7.291 -2.512 9.731 1.00 0.00 N ATOM 504 CA LYS A 34 -7.707 -1.136 9.479 1.00 0.00 C ATOM 505 C LYS A 34 -6.941 -0.150 10.358 1.00 0.00 C ATOM 506 O LYS A 34 -6.926 1.051 10.089 1.00 0.00 O ATOM 507 CB LYS A 34 -9.210 -0.982 9.716 1.00 0.00 C ATOM 508 CG LYS A 34 -10.066 -1.815 8.775 1.00 0.00 C ATOM 509 CD LYS A 34 -9.874 -1.393 7.328 1.00 0.00 C ATOM 510 CE LYS A 34 -10.741 -2.214 6.387 1.00 0.00 C ATOM 511 NZ LYS A 34 -10.581 -1.791 4.968 1.00 0.00 N ATOM 0 H LYS A 34 -7.921 -3.037 10.338 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.481 -0.909 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.437 -1.263 10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.481 0.068 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.810 -2.869 8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.116 -1.712 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.119 -0.336 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.826 -1.507 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.481 -3.268 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.787 -2.115 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.189 -2.376 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.853 -0.792 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.589 -1.909 4.680 1.00 0.00 H new ATOM 525 N MET A 35 -6.294 -0.661 11.404 1.00 0.00 N ATOM 526 CA MET A 35 -5.517 0.182 12.307 1.00 0.00 C ATOM 527 C MET A 35 -4.200 0.613 11.661 1.00 0.00 C ATOM 528 O MET A 35 -3.368 1.259 12.298 1.00 0.00 O ATOM 529 CB MET A 35 -5.231 -0.566 13.606 1.00 0.00 C ATOM 530 CG MET A 35 -6.485 -0.952 14.374 1.00 0.00 C ATOM 531 SD MET A 35 -6.119 -1.825 15.908 1.00 0.00 S ATOM 532 CE MET A 35 -7.772 -2.103 16.539 1.00 0.00 C ATOM 0 H MET A 35 -6.293 -1.652 11.646 1.00 0.00 H new ATOM 0 HA MET A 35 -6.104 1.075 12.523 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.662 -1.468 13.379 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.602 0.056 14.243 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.059 -0.053 14.600 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.113 -1.581 13.743 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.714 -2.636 17.488 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.270 -1.145 16.690 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.339 -2.698 15.823 1.00 0.00 H new ATOM 542 N ILE A 36 -4.018 0.241 10.398 1.00 0.00 N ATOM 543 CA ILE A 36 -2.812 0.575 9.656 1.00 0.00 C ATOM 544 C ILE A 36 -2.892 1.980 9.058 1.00 0.00 C ATOM 545 O ILE A 36 -1.869 2.624 8.830 1.00 0.00 O ATOM 546 CB ILE A 36 -2.580 -0.442 8.526 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.570 -1.865 9.084 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.280 -0.145 7.805 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.384 -2.925 8.022 1.00 0.00 C ATOM 0 H ILE A 36 -4.700 -0.298 9.864 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.979 0.543 10.358 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.398 -0.357 7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.770 -1.953 9.819 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.507 -2.048 9.609 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.131 -0.874 7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.322 0.857 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.451 -0.204 8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.387 -3.911 8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.198 -2.863 7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.433 -2.767 7.513 1.00 0.00 H new ATOM 561 N ALA A 37 -4.112 2.448 8.809 1.00 0.00 N ATOM 562 CA ALA A 37 -4.330 3.777 8.238 1.00 0.00 C ATOM 563 C ALA A 37 -3.478 4.852 8.920 1.00 0.00 C ATOM 564 O ALA A 37 -2.866 5.676 8.243 1.00 0.00 O ATOM 565 CB ALA A 37 -5.804 4.145 8.313 1.00 0.00 C ATOM 0 H ALA A 37 -4.968 1.926 8.994 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.019 3.736 7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.954 5.136 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.390 3.416 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.126 4.147 9.354 1.00 0.00 H new ATOM 571 N PRO A 38 -3.415 4.863 10.266 1.00 0.00 N ATOM 572 CA PRO A 38 -2.619 5.851 10.991 1.00 0.00 C ATOM 573 C PRO A 38 -1.133 5.562 10.864 1.00 0.00 C ATOM 574 O PRO A 38 -0.319 6.478 10.748 1.00 0.00 O ATOM 575 CB PRO A 38 -3.090 5.711 12.438 1.00 0.00 C ATOM 576 CG PRO A 38 -3.626 4.325 12.549 1.00 0.00 C ATOM 577 CD PRO A 38 -4.093 3.919 11.173 1.00 0.00 C ATOM 0 HA PRO A 38 -2.751 6.861 10.604 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.268 5.871 13.136 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.857 6.449 12.674 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.857 3.643 12.912 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.449 4.286 13.262 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.822 2.887 10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.177 3.990 11.084 1.00 0.00 H new ATOM 585 N MET A 39 -0.786 4.280 10.853 1.00 0.00 N ATOM 586 CA MET A 39 0.602 3.876 10.700 1.00 0.00 C ATOM 587 C MET A 39 1.088 4.287 9.318 1.00 0.00 C ATOM 588 O MET A 39 2.091 4.983 9.181 1.00 0.00 O ATOM 589 CB MET A 39 0.746 2.363 10.885 1.00 0.00 C ATOM 590 CG MET A 39 2.164 1.864 10.740 1.00 0.00 C ATOM 591 SD MET A 39 2.305 0.084 10.985 1.00 0.00 S ATOM 592 CE MET A 39 1.697 -0.075 12.663 1.00 0.00 C ATOM 0 H MET A 39 -1.445 3.507 10.948 1.00 0.00 H new ATOM 0 HA MET A 39 1.207 4.368 11.462 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.374 2.090 11.872 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.116 1.855 10.155 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.535 2.120 9.748 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.801 2.377 11.461 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.040 -1.019 13.086 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.073 0.751 13.266 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.607 -0.054 12.659 1.00 0.00 H new ATOM 602 N ILE A 40 0.340 3.876 8.296 1.00 0.00 N ATOM 603 CA ILE A 40 0.658 4.220 6.914 1.00 0.00 C ATOM 604 C ILE A 40 0.973 5.709 6.790 1.00 0.00 C ATOM 605 O ILE A 40 1.763 6.123 5.941 1.00 0.00 O ATOM 606 CB ILE A 40 -0.520 3.866 5.974 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.758 2.357 5.955 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.265 4.380 4.564 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.949 1.942 5.114 1.00 0.00 C ATOM 0 H ILE A 40 -0.496 3.301 8.402 1.00 0.00 H new ATOM 0 HA ILE A 40 1.534 3.641 6.621 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.416 4.354 6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.135 1.861 5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.906 2.008 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.107 4.118 3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.150 5.464 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.645 3.927 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.057 0.858 5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.852 2.409 5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.795 2.260 4.083 1.00 0.00 H new ATOM 621 N GLU A 41 0.346 6.503 7.649 1.00 0.00 N ATOM 622 CA GLU A 41 0.546 7.946 7.654 1.00 0.00 C ATOM 623 C GLU A 41 1.876 8.310 8.308 1.00 0.00 C ATOM 624 O GLU A 41 2.556 9.242 7.879 1.00 0.00 O ATOM 625 CB GLU A 41 -0.607 8.626 8.394 1.00 0.00 C ATOM 626 CG GLU A 41 -0.467 10.137 8.488 1.00 0.00 C ATOM 627 CD GLU A 41 -1.623 10.784 9.226 1.00 0.00 C ATOM 628 OE1 GLU A 41 -1.831 10.453 10.411 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.320 11.623 8.617 1.00 0.00 O ATOM 0 H GLU A 41 -0.309 6.169 8.355 1.00 0.00 H new ATOM 0 HA GLU A 41 0.568 8.295 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.543 8.388 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.675 8.213 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.466 10.381 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.402 10.556 7.484 1.00 0.00 H new ATOM 636 N LYS A 42 2.239 7.570 9.350 1.00 0.00 N ATOM 637 CA LYS A 42 3.485 7.812 10.068 1.00 0.00 C ATOM 638 C LYS A 42 4.695 7.668 9.147 1.00 0.00 C ATOM 639 O LYS A 42 5.763 8.215 9.421 1.00 0.00 O ATOM 640 CB LYS A 42 3.609 6.850 11.251 1.00 0.00 C ATOM 641 CG LYS A 42 2.538 7.040 12.304 1.00 0.00 C ATOM 642 CD LYS A 42 2.718 6.062 13.450 1.00 0.00 C ATOM 643 CE LYS A 42 1.649 6.257 14.505 1.00 0.00 C ATOM 644 NZ LYS A 42 1.806 5.309 15.643 1.00 0.00 N ATOM 0 H LYS A 42 1.686 6.795 9.717 1.00 0.00 H new ATOM 0 HA LYS A 42 3.463 8.837 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.565 5.826 10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.588 6.980 11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.575 8.061 12.684 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.554 6.902 11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.677 5.041 13.071 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.703 6.197 13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.691 7.280 14.878 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.666 6.122 14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.054 5.477 16.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.741 4.332 15.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.733 5.455 16.091 1.00 0.00 H new ATOM 658 N PHE A 43 4.524 6.928 8.054 1.00 0.00 N ATOM 659 CA PHE A 43 5.607 6.716 7.099 1.00 0.00 C ATOM 660 C PHE A 43 5.613 7.789 6.013 1.00 0.00 C ATOM 661 O PHE A 43 6.609 7.964 5.311 1.00 0.00 O ATOM 662 CB PHE A 43 5.491 5.328 6.464 1.00 0.00 C ATOM 663 CG PHE A 43 5.703 4.204 7.435 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.854 4.040 8.516 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.752 3.314 7.270 1.00 0.00 C ATOM 666 CE1 PHE A 43 5.046 3.008 9.416 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.950 2.281 8.164 1.00 0.00 C ATOM 668 CZ PHE A 43 6.095 2.127 9.239 1.00 0.00 C ATOM 0 H PHE A 43 3.648 6.467 7.809 1.00 0.00 H new ATOM 0 HA PHE A 43 6.548 6.784 7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.504 5.226 6.012 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.221 5.244 5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.032 4.726 8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.423 3.430 6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.377 2.891 10.256 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.772 1.594 8.024 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.247 1.319 9.939 1.00 0.00 H new ATOM 678 N SER A 44 4.504 8.510 5.883 1.00 0.00 N ATOM 679 CA SER A 44 4.399 9.567 4.883 1.00 0.00 C ATOM 680 C SER A 44 5.191 10.805 5.301 1.00 0.00 C ATOM 681 O SER A 44 5.326 11.753 4.528 1.00 0.00 O ATOM 682 CB SER A 44 2.932 9.939 4.657 1.00 0.00 C ATOM 683 OG SER A 44 2.811 10.964 3.686 1.00 0.00 O ATOM 0 H SER A 44 3.669 8.383 6.455 1.00 0.00 H new ATOM 0 HA SER A 44 4.822 9.190 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.376 9.059 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.488 10.269 5.596 1.00 0.00 H new ATOM 0 HG SER A 44 3.659 11.450 3.615 1.00 0.00 H new ATOM 689 N GLU A 45 5.715 10.794 6.526 1.00 0.00 N ATOM 690 CA GLU A 45 6.491 11.918 7.033 1.00 0.00 C ATOM 691 C GLU A 45 7.973 11.750 6.712 1.00 0.00 C ATOM 692 O GLU A 45 8.703 12.731 6.576 1.00 0.00 O ATOM 693 CB GLU A 45 6.298 12.056 8.546 1.00 0.00 C ATOM 694 CG GLU A 45 7.068 13.217 9.154 1.00 0.00 C ATOM 695 CD GLU A 45 6.860 13.332 10.653 1.00 0.00 C ATOM 696 OE1 GLU A 45 7.194 12.369 11.373 1.00 0.00 O ATOM 697 OE2 GLU A 45 6.366 14.386 11.104 1.00 0.00 O ATOM 0 H GLU A 45 5.615 10.020 7.182 1.00 0.00 H new ATOM 0 HA GLU A 45 6.133 12.823 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.237 12.184 8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.611 11.131 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.131 13.092 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.757 14.145 8.675 1.00 0.00 H new ATOM 704 N GLN A 46 8.411 10.499 6.594 1.00 0.00 N ATOM 705 CA GLN A 46 9.807 10.203 6.292 1.00 0.00 C ATOM 706 C GLN A 46 10.051 10.105 4.790 1.00 0.00 C ATOM 707 O GLN A 46 11.153 10.374 4.314 1.00 0.00 O ATOM 708 CB GLN A 46 10.229 8.905 6.976 1.00 0.00 C ATOM 709 CG GLN A 46 10.171 8.984 8.490 1.00 0.00 C ATOM 710 CD GLN A 46 10.597 7.691 9.160 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.725 7.229 8.984 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.693 7.100 9.933 1.00 0.00 N ATOM 0 H GLN A 46 7.819 9.675 6.703 1.00 0.00 H new ATOM 0 HA GLN A 46 10.410 11.027 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.584 8.095 6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.244 8.653 6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.814 9.795 8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.155 9.231 8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.770 7.519 10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.921 6.228 10.409 1.00 0.00 H new ATOM 721 N TYR A 47 9.021 9.716 4.044 1.00 0.00 N ATOM 722 CA TYR A 47 9.141 9.584 2.595 1.00 0.00 C ATOM 723 C TYR A 47 8.110 10.445 1.861 1.00 0.00 C ATOM 724 O TYR A 47 7.484 9.990 0.905 1.00 0.00 O ATOM 725 CB TYR A 47 8.975 8.120 2.197 1.00 0.00 C ATOM 726 CG TYR A 47 10.003 7.207 2.824 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.331 7.237 2.416 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.645 6.321 3.830 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.272 6.405 2.993 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.580 5.485 4.412 1.00 0.00 C ATOM 731 CZ TYR A 47 11.892 5.530 3.988 1.00 0.00 C ATOM 732 OH TYR A 47 12.827 4.701 4.566 1.00 0.00 O ATOM 0 H TYR A 47 8.099 9.488 4.416 1.00 0.00 H new ATOM 0 HA TYR A 47 10.132 9.935 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.979 7.784 2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.039 8.037 1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.632 7.921 1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.619 6.284 4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.301 6.440 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.285 4.801 5.194 1.00 0.00 H new ATOM 0 HH TYR A 47 12.522 3.772 4.505 1.00 0.00 H new ATOM 742 N PRO A 48 7.917 11.705 2.301 1.00 0.00 N ATOM 743 CA PRO A 48 6.959 12.627 1.685 1.00 0.00 C ATOM 744 C PRO A 48 6.934 12.535 0.163 1.00 0.00 C ATOM 745 O PRO A 48 5.896 12.746 -0.466 1.00 0.00 O ATOM 746 CB PRO A 48 7.474 13.994 2.126 1.00 0.00 C ATOM 747 CG PRO A 48 8.110 13.751 3.453 1.00 0.00 C ATOM 748 CD PRO A 48 8.612 12.327 3.446 1.00 0.00 C ATOM 0 HA PRO A 48 5.935 12.410 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.192 14.396 1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.662 14.717 2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.930 14.449 3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.392 13.903 4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.694 12.287 3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.377 11.817 4.380 1.00 0.00 H new ATOM 756 N GLN A 49 8.080 12.219 -0.416 1.00 0.00 N ATOM 757 CA GLN A 49 8.199 12.095 -1.866 1.00 0.00 C ATOM 758 C GLN A 49 7.306 10.979 -2.392 1.00 0.00 C ATOM 759 O GLN A 49 6.711 11.096 -3.464 1.00 0.00 O ATOM 760 CB GLN A 49 9.652 11.821 -2.261 1.00 0.00 C ATOM 761 CG GLN A 49 10.604 12.948 -1.896 1.00 0.00 C ATOM 762 CD GLN A 49 10.234 14.261 -2.557 1.00 0.00 C ATOM 763 OE1 GLN A 49 10.189 14.362 -3.783 1.00 0.00 O ATOM 764 NE2 GLN A 49 9.968 15.278 -1.744 1.00 0.00 N ATOM 0 H GLN A 49 8.946 12.042 0.094 1.00 0.00 H new ATOM 0 HA GLN A 49 7.878 13.037 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.985 10.904 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.701 11.649 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.608 13.079 -0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.617 12.672 -2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.017 15.149 -0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.714 16.187 -2.131 1.00 0.00 H new ATOM 773 N ALA A 50 7.218 9.896 -1.630 1.00 0.00 N ATOM 774 CA ALA A 50 6.402 8.754 -2.013 1.00 0.00 C ATOM 775 C ALA A 50 4.979 8.891 -1.482 1.00 0.00 C ATOM 776 O ALA A 50 4.758 9.462 -0.413 1.00 0.00 O ATOM 777 CB ALA A 50 7.035 7.468 -1.506 1.00 0.00 C ATOM 0 H ALA A 50 7.704 9.786 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 50 6.351 8.721 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.417 6.619 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.030 7.358 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.112 7.504 -0.419 1.00 0.00 H new ATOM 783 N ASP A 51 4.019 8.361 -2.232 1.00 0.00 N ATOM 784 CA ASP A 51 2.619 8.421 -1.834 1.00 0.00 C ATOM 785 C ASP A 51 2.250 7.206 -0.993 1.00 0.00 C ATOM 786 O ASP A 51 2.867 6.149 -1.111 1.00 0.00 O ATOM 787 CB ASP A 51 1.716 8.498 -3.067 1.00 0.00 C ATOM 788 CG ASP A 51 1.990 9.727 -3.912 1.00 0.00 C ATOM 789 OD1 ASP A 51 2.886 10.516 -3.543 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.307 9.902 -4.943 1.00 0.00 O ATOM 0 H ASP A 51 4.186 7.885 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 51 2.472 9.319 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.859 7.604 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.673 8.504 -2.750 1.00 0.00 H new ATOM 795 N PHE A 52 1.245 7.363 -0.139 1.00 0.00 N ATOM 796 CA PHE A 52 0.806 6.271 0.721 1.00 0.00 C ATOM 797 C PHE A 52 -0.697 6.049 0.617 1.00 0.00 C ATOM 798 O PHE A 52 -1.483 6.684 1.322 1.00 0.00 O ATOM 799 CB PHE A 52 1.199 6.547 2.172 1.00 0.00 C ATOM 800 CG PHE A 52 2.684 6.553 2.394 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.488 7.490 1.767 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.277 5.615 3.224 1.00 0.00 C ATOM 803 CE1 PHE A 52 4.856 7.494 1.965 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.644 5.614 3.425 1.00 0.00 C ATOM 805 CZ PHE A 52 5.434 6.553 2.794 1.00 0.00 C ATOM 0 H PHE A 52 0.722 8.231 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 52 1.303 5.362 0.383 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.789 7.511 2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.746 5.792 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.041 8.226 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.664 4.877 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.472 8.232 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.094 4.879 4.076 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.503 6.552 2.948 1.00 0.00 H new ATOM 815 N TYR A 53 -1.088 5.132 -0.260 1.00 0.00 N ATOM 816 CA TYR A 53 -2.493 4.805 -0.458 1.00 0.00 C ATOM 817 C TYR A 53 -2.814 3.439 0.135 1.00 0.00 C ATOM 818 O TYR A 53 -1.936 2.764 0.672 1.00 0.00 O ATOM 819 CB TYR A 53 -2.844 4.829 -1.945 1.00 0.00 C ATOM 820 CG TYR A 53 -2.974 6.222 -2.519 1.00 0.00 C ATOM 821 CD1 TYR A 53 -4.029 7.047 -2.150 1.00 0.00 C ATOM 822 CD2 TYR A 53 -2.046 6.712 -3.429 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.156 8.319 -2.672 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.165 7.984 -3.954 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.222 8.784 -3.574 1.00 0.00 C ATOM 826 OH TYR A 53 -3.344 10.051 -4.096 1.00 0.00 O ATOM 0 H TYR A 53 -0.447 4.600 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.093 5.556 0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.077 4.288 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.782 4.295 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.762 6.687 -1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.218 6.088 -3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.983 8.947 -2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.433 8.350 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.604 10.223 -4.715 1.00 0.00 H new ATOM 836 N LYS A 54 -4.077 3.041 0.042 1.00 0.00 N ATOM 837 CA LYS A 54 -4.511 1.758 0.578 1.00 0.00 C ATOM 838 C LYS A 54 -5.490 1.082 -0.379 1.00 0.00 C ATOM 839 O LYS A 54 -6.257 1.752 -1.071 1.00 0.00 O ATOM 840 CB LYS A 54 -5.161 1.955 1.948 1.00 0.00 C ATOM 841 CG LYS A 54 -4.308 2.772 2.908 1.00 0.00 C ATOM 842 CD LYS A 54 -5.144 3.477 3.970 1.00 0.00 C ATOM 843 CE LYS A 54 -5.885 2.501 4.869 1.00 0.00 C ATOM 844 NZ LYS A 54 -4.958 1.558 5.554 1.00 0.00 N ATOM 0 H LYS A 54 -4.817 3.587 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.639 1.114 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.124 2.449 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.361 0.979 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.584 2.118 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.740 3.513 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.496 4.107 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.863 4.136 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.454 3.056 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.604 1.936 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.509 0.857 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.373 1.070 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.344 2.087 6.206 1.00 0.00 H new ATOM 858 N LEU A 55 -5.451 -0.246 -0.424 1.00 0.00 N ATOM 859 CA LEU A 55 -6.326 -1.008 -1.308 1.00 0.00 C ATOM 860 C LEU A 55 -7.410 -1.734 -0.515 1.00 0.00 C ATOM 861 O LEU A 55 -7.154 -2.255 0.571 1.00 0.00 O ATOM 862 CB LEU A 55 -5.500 -2.010 -2.125 1.00 0.00 C ATOM 863 CG LEU A 55 -6.238 -2.688 -3.284 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.312 -3.635 -2.767 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.848 -1.645 -4.208 1.00 0.00 C ATOM 0 H LEU A 55 -4.823 -0.817 0.142 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.817 -0.312 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.628 -1.493 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.130 -2.783 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.514 -3.274 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.821 -4.103 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.851 -4.405 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.034 -3.076 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.368 -2.143 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.554 -1.032 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.059 -1.011 -4.613 1.00 0.00 H new ATOM 877 N ASP A 56 -8.620 -1.763 -1.067 1.00 0.00 N ATOM 878 CA ASP A 56 -9.746 -2.424 -0.413 1.00 0.00 C ATOM 879 C ASP A 56 -9.909 -3.849 -0.937 1.00 0.00 C ATOM 880 O ASP A 56 -10.194 -4.058 -2.116 1.00 0.00 O ATOM 881 CB ASP A 56 -11.038 -1.633 -0.646 1.00 0.00 C ATOM 882 CG ASP A 56 -12.151 -2.059 0.291 1.00 0.00 C ATOM 883 OD1 ASP A 56 -11.944 -2.006 1.521 1.00 0.00 O ATOM 884 OD2 ASP A 56 -13.233 -2.436 -0.203 1.00 0.00 O ATOM 0 H ASP A 56 -8.846 -1.337 -1.966 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.543 -2.464 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.840 -0.570 -0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.363 -1.768 -1.678 1.00 0.00 H new ATOM 889 N VAL A 57 -9.726 -4.826 -0.053 1.00 0.00 N ATOM 890 CA VAL A 57 -9.854 -6.232 -0.426 1.00 0.00 C ATOM 891 C VAL A 57 -11.323 -6.652 -0.553 1.00 0.00 C ATOM 892 O VAL A 57 -11.621 -7.791 -0.910 1.00 0.00 O ATOM 893 CB VAL A 57 -9.116 -7.141 0.589 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.421 -8.614 0.341 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.615 -6.896 0.501 1.00 0.00 C ATOM 0 H VAL A 57 -9.489 -4.670 0.927 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.388 -6.353 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.469 -6.891 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.888 -9.224 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.493 -8.785 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.101 -8.888 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.099 -7.537 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.268 -7.124 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.403 -5.852 0.731 1.00 0.00 H new ATOM 905 N ASP A 58 -12.237 -5.724 -0.278 1.00 0.00 N ATOM 906 CA ASP A 58 -13.665 -6.008 -0.382 1.00 0.00 C ATOM 907 C ASP A 58 -14.242 -5.393 -1.650 1.00 0.00 C ATOM 908 O ASP A 58 -15.032 -6.020 -2.357 1.00 0.00 O ATOM 909 CB ASP A 58 -14.410 -5.458 0.835 1.00 0.00 C ATOM 910 CG ASP A 58 -15.891 -5.785 0.802 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.571 -5.362 -0.156 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.371 -6.463 1.734 1.00 0.00 O ATOM 0 H ASP A 58 -12.015 -4.773 0.017 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.792 -7.090 -0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.970 -5.869 1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.280 -4.377 0.879 1.00 0.00 H new ATOM 917 N GLU A 59 -13.847 -4.156 -1.923 1.00 0.00 N ATOM 918 CA GLU A 59 -14.326 -3.439 -3.095 1.00 0.00 C ATOM 919 C GLU A 59 -13.473 -3.760 -4.320 1.00 0.00 C ATOM 920 O GLU A 59 -13.993 -3.918 -5.424 1.00 0.00 O ATOM 921 CB GLU A 59 -14.316 -1.932 -2.827 1.00 0.00 C ATOM 922 CG GLU A 59 -14.948 -1.115 -3.941 1.00 0.00 C ATOM 923 CD GLU A 59 -16.431 -1.397 -4.104 1.00 0.00 C ATOM 924 OE1 GLU A 59 -16.968 -2.225 -3.338 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.054 -0.787 -4.998 1.00 0.00 O ATOM 0 H GLU A 59 -13.193 -3.628 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.347 -3.761 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.846 -1.733 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.287 -1.603 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.804 -0.054 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.436 -1.330 -4.879 1.00 0.00 H new ATOM 932 N LEU A 60 -12.162 -3.860 -4.116 1.00 0.00 N ATOM 933 CA LEU A 60 -11.242 -4.169 -5.206 1.00 0.00 C ATOM 934 C LEU A 60 -10.638 -5.557 -5.029 1.00 0.00 C ATOM 935 O LEU A 60 -9.436 -5.752 -5.214 1.00 0.00 O ATOM 936 CB LEU A 60 -10.128 -3.121 -5.285 1.00 0.00 C ATOM 937 CG LEU A 60 -10.585 -1.705 -5.638 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.496 -1.150 -4.555 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.384 -0.796 -5.848 1.00 0.00 C ATOM 0 H LEU A 60 -11.714 -3.732 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.808 -4.152 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.613 -3.090 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.399 -3.445 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.151 -1.748 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.810 -0.142 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.373 -1.789 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.959 -1.121 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.727 0.208 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.791 -0.759 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.772 -1.184 -6.662 1.00 0.00 H new ATOM 951 N GLY A 61 -11.479 -6.523 -4.672 1.00 0.00 N ATOM 952 CA GLY A 61 -11.008 -7.882 -4.478 1.00 0.00 C ATOM 953 C GLY A 61 -10.304 -8.430 -5.705 1.00 0.00 C ATOM 954 O GLY A 61 -9.430 -9.287 -5.596 1.00 0.00 O ATOM 0 H GLY A 61 -12.478 -6.389 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.326 -7.910 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.853 -8.525 -4.230 1.00 0.00 H new ATOM 958 N ASP A 62 -10.687 -7.930 -6.875 1.00 0.00 N ATOM 959 CA ASP A 62 -10.089 -8.372 -8.128 1.00 0.00 C ATOM 960 C ASP A 62 -8.599 -8.049 -8.171 1.00 0.00 C ATOM 961 O ASP A 62 -7.822 -8.749 -8.820 1.00 0.00 O ATOM 962 CB ASP A 62 -10.795 -7.724 -9.308 1.00 0.00 C ATOM 963 CG ASP A 62 -12.268 -8.072 -9.369 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.993 -7.757 -8.402 1.00 0.00 O ATOM 965 OD2 ASP A 62 -12.698 -8.660 -10.384 1.00 0.00 O ATOM 0 H ASP A 62 -11.410 -7.218 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.206 -9.454 -8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.684 -6.642 -9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.312 -8.039 -10.233 1.00 0.00 H new ATOM 970 N VAL A 63 -8.205 -6.985 -7.477 1.00 0.00 N ATOM 971 CA VAL A 63 -6.807 -6.575 -7.441 1.00 0.00 C ATOM 972 C VAL A 63 -6.021 -7.443 -6.457 1.00 0.00 C ATOM 973 O VAL A 63 -4.936 -7.930 -6.773 1.00 0.00 O ATOM 974 CB VAL A 63 -6.664 -5.088 -7.056 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.256 -4.591 -7.341 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.693 -4.243 -7.795 1.00 0.00 C ATOM 0 H VAL A 63 -8.833 -6.393 -6.934 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.400 -6.708 -8.443 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.847 -4.993 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.178 -3.540 -7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.540 -5.174 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.039 -4.701 -8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.577 -3.197 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.544 -4.346 -8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.696 -4.581 -7.534 1.00 0.00 H new ATOM 986 N ALA A 64 -6.588 -7.660 -5.274 1.00 0.00 N ATOM 987 CA ALA A 64 -5.949 -8.502 -4.264 1.00 0.00 C ATOM 988 C ALA A 64 -5.715 -9.902 -4.822 1.00 0.00 C ATOM 989 O ALA A 64 -4.850 -10.636 -4.347 1.00 0.00 O ATOM 990 CB ALA A 64 -6.812 -8.569 -3.012 1.00 0.00 C ATOM 0 H ALA A 64 -7.485 -7.267 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.986 -8.065 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.325 -9.199 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.945 -7.566 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.785 -8.990 -3.263 1.00 0.00 H new ATOM 996 N GLN A 65 -6.496 -10.262 -5.840 1.00 0.00 N ATOM 997 CA GLN A 65 -6.380 -11.568 -6.476 1.00 0.00 C ATOM 998 C GLN A 65 -5.388 -11.531 -7.637 1.00 0.00 C ATOM 999 O GLN A 65 -4.639 -12.484 -7.849 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.748 -12.042 -6.973 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.753 -12.293 -5.855 1.00 0.00 C ATOM 1002 CD GLN A 65 -8.369 -13.441 -4.928 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -7.320 -14.188 -5.271 1.00 0.00 O flip ATOM 1004 NE2 GLN A 65 -9.028 -13.667 -3.913 1.00 0.00 N flip ATOM 0 H GLN A 65 -7.218 -9.663 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.008 -12.270 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.155 -11.296 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.618 -12.960 -7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.861 -11.383 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.727 -12.505 -6.296 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.825 -13.075 -3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.777 -14.446 -3.305 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.387 -10.432 -8.392 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.480 -10.303 -9.528 1.00 0.00 C ATOM 1015 C LYS A 66 -3.031 -10.377 -9.053 1.00 0.00 C ATOM 1016 O LYS A 66 -2.215 -11.105 -9.619 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.732 -8.992 -10.292 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.000 -7.779 -9.734 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.226 -6.551 -10.603 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.387 -5.373 -10.135 1.00 0.00 C ATOM 1021 NZ LYS A 66 -1.926 -5.650 -10.238 1.00 0.00 N ATOM 0 H LYS A 66 -5.997 -9.629 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.669 -11.130 -10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.436 -9.131 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.802 -8.786 -10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.345 -7.578 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.933 -7.992 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.979 -6.786 -11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.281 -6.278 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.632 -4.494 -10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.639 -5.137 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.392 -4.798 -9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.674 -6.429 -9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.691 -5.916 -11.216 1.00 0.00 H new ATOM 1035 N ASN A 67 -2.727 -9.626 -7.998 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.398 -9.606 -7.426 1.00 0.00 C ATOM 1037 C ASN A 67 -1.155 -10.847 -6.566 1.00 0.00 C ATOM 1038 O ASN A 67 -0.052 -11.054 -6.059 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.234 -8.348 -6.581 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.344 -7.079 -7.403 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.573 -6.862 -8.337 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.304 -6.230 -7.054 1.00 0.00 N ATOM 0 H ASN A 67 -3.396 -9.020 -7.523 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.667 -9.606 -8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.993 -8.338 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.264 -8.372 -6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.424 -5.357 -7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.921 -6.451 -6.272 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.193 -11.670 -6.407 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.101 -12.889 -5.614 1.00 0.00 C ATOM 1051 C GLU A 68 -1.897 -12.567 -4.136 1.00 0.00 C ATOM 1052 O GLU A 68 -1.136 -13.246 -3.446 1.00 0.00 O ATOM 1053 CB GLU A 68 -0.959 -13.773 -6.121 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.101 -14.162 -7.584 1.00 0.00 C ATOM 1055 CD GLU A 68 0.045 -15.026 -8.074 1.00 0.00 C ATOM 1056 OE1 GLU A 68 0.954 -15.323 -7.270 1.00 0.00 O ATOM 1057 OE2 GLU A 68 0.035 -15.406 -9.264 1.00 0.00 O ATOM 0 H GLU A 68 -3.111 -11.509 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.041 -13.430 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.014 -13.248 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.913 -14.678 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.040 -14.698 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.156 -13.259 -8.192 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.583 -11.534 -3.651 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.469 -11.142 -2.253 1.00 0.00 C ATOM 1066 C VAL A 69 -3.756 -11.447 -1.494 1.00 0.00 C ATOM 1067 O VAL A 69 -4.771 -10.774 -1.679 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.143 -9.644 -2.115 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.940 -9.278 -0.653 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.916 -9.285 -2.937 1.00 0.00 C ATOM 0 H VAL A 69 -3.219 -10.958 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.652 -11.722 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.987 -9.070 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.710 -8.216 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.850 -9.496 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.114 -9.860 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.702 -8.222 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.062 -9.865 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.103 -9.510 -3.987 1.00 0.00 H new ATOM 1080 N SER A 70 -3.709 -12.464 -0.641 1.00 0.00 N ATOM 1081 CA SER A 70 -4.873 -12.855 0.146 1.00 0.00 C ATOM 1082 C SER A 70 -4.586 -12.805 1.646 1.00 0.00 C ATOM 1083 O SER A 70 -5.473 -13.063 2.459 1.00 0.00 O ATOM 1084 CB SER A 70 -5.337 -14.246 -0.249 1.00 0.00 C ATOM 1085 OG SER A 70 -6.411 -14.680 0.566 1.00 0.00 O ATOM 0 H SER A 70 -2.878 -13.032 -0.477 1.00 0.00 H new ATOM 0 HA SER A 70 -5.666 -12.138 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.648 -14.245 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.507 -14.947 -0.164 1.00 0.00 H new ATOM 0 HG SER A 70 -6.449 -14.131 1.377 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.352 -12.463 2.012 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.976 -12.374 3.419 1.00 0.00 C ATOM 1093 C ALA A 71 -3.822 -11.319 4.126 1.00 0.00 C ATOM 1094 O ALA A 71 -4.913 -10.987 3.665 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.496 -12.058 3.553 1.00 0.00 C ATOM 0 H ALA A 71 -2.601 -12.245 1.358 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.162 -13.338 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.232 -11.995 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.911 -12.846 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.282 -11.106 3.068 1.00 0.00 H new ATOM 1101 N MET A 72 -3.331 -10.792 5.247 1.00 0.00 N ATOM 1102 CA MET A 72 -4.084 -9.786 5.983 1.00 0.00 C ATOM 1103 C MET A 72 -3.301 -9.225 7.173 1.00 0.00 C ATOM 1104 O MET A 72 -3.226 -9.858 8.225 1.00 0.00 O ATOM 1105 CB MET A 72 -5.415 -10.376 6.461 1.00 0.00 C ATOM 1106 CG MET A 72 -5.280 -11.526 7.448 1.00 0.00 C ATOM 1107 SD MET A 72 -4.479 -12.983 6.747 1.00 0.00 S ATOM 1108 CE MET A 72 -4.516 -14.096 8.149 1.00 0.00 C ATOM 0 H MET A 72 -2.431 -11.041 5.657 1.00 0.00 H new ATOM 0 HA MET A 72 -4.271 -8.957 5.301 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.003 -9.584 6.925 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.976 -10.723 5.593 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.709 -11.188 8.313 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.270 -11.803 7.809 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.055 -15.044 7.873 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.966 -13.653 8.980 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.549 -14.269 8.449 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.700 -8.020 7.040 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.735 -7.197 5.822 1.00 0.00 C ATOM 1120 C PRO A 73 -1.596 -7.528 4.853 1.00 0.00 C ATOM 1121 O PRO A 73 -0.972 -8.582 4.956 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.545 -5.801 6.393 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.580 -6.015 7.502 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.922 -7.355 8.102 1.00 0.00 C ATOM 0 HA PRO A 73 -3.645 -7.342 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.153 -5.111 5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.485 -5.382 6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.554 -6.004 7.134 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.660 -5.223 8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.026 -7.921 8.357 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.503 -7.248 9.018 1.00 0.00 H new ATOM 1132 N THR A 74 -1.324 -6.611 3.920 1.00 0.00 N ATOM 1133 CA THR A 74 -0.251 -6.803 2.945 1.00 0.00 C ATOM 1134 C THR A 74 0.205 -5.469 2.360 1.00 0.00 C ATOM 1135 O THR A 74 -0.592 -4.546 2.201 1.00 0.00 O ATOM 1136 CB THR A 74 -0.710 -7.724 1.817 1.00 0.00 C ATOM 1137 OG1 THR A 74 -1.197 -8.947 2.343 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.393 -8.043 0.827 1.00 0.00 C ATOM 0 H THR A 74 -1.831 -5.732 3.821 1.00 0.00 H new ATOM 0 HA THR A 74 0.589 -7.262 3.465 1.00 0.00 H new ATOM 0 HB THR A 74 -1.497 -7.184 1.292 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.134 -9.065 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.005 -8.701 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.754 -7.119 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.215 -8.538 1.345 1.00 0.00 H new ATOM 1146 N LEU A 75 1.495 -5.370 2.042 1.00 0.00 N ATOM 1147 CA LEU A 75 2.051 -4.144 1.479 1.00 0.00 C ATOM 1148 C LEU A 75 2.525 -4.347 0.041 1.00 0.00 C ATOM 1149 O LEU A 75 3.373 -5.197 -0.229 1.00 0.00 O ATOM 1150 CB LEU A 75 3.224 -3.658 2.329 1.00 0.00 C ATOM 1151 CG LEU A 75 2.902 -3.372 3.795 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.152 -2.910 4.524 1.00 0.00 C ATOM 1153 CD2 LEU A 75 1.799 -2.330 3.908 1.00 0.00 C ATOM 0 H LEU A 75 2.172 -6.123 2.165 1.00 0.00 H new ATOM 0 HA LEU A 75 1.257 -3.398 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.014 -4.408 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.624 -2.749 1.879 1.00 0.00 H new ATOM 0 HG LEU A 75 2.548 -4.292 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.911 -2.709 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.913 -3.689 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.530 -2.000 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.584 -2.140 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.122 -1.405 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.899 -2.698 3.415 1.00 0.00 H new ATOM 1165 N LEU A 76 1.988 -3.546 -0.874 1.00 0.00 N ATOM 1166 CA LEU A 76 2.373 -3.620 -2.282 1.00 0.00 C ATOM 1167 C LEU A 76 3.023 -2.312 -2.728 1.00 0.00 C ATOM 1168 O LEU A 76 2.482 -1.231 -2.494 1.00 0.00 O ATOM 1169 CB LEU A 76 1.156 -3.930 -3.164 1.00 0.00 C ATOM 1170 CG LEU A 76 0.474 -5.275 -2.889 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.460 -5.647 -4.031 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.509 -6.372 -2.666 1.00 0.00 C ATOM 0 H LEU A 76 1.284 -2.837 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 76 3.096 -4.428 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.421 -3.135 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.469 -3.907 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.118 -5.174 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.934 -6.605 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.226 -4.879 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.110 -5.724 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.002 -7.317 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.133 -6.470 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.134 -6.114 -1.811 1.00 0.00 H new ATOM 1184 N LEU A 77 4.190 -2.412 -3.363 1.00 0.00 N ATOM 1185 CA LEU A 77 4.910 -1.230 -3.829 1.00 0.00 C ATOM 1186 C LEU A 77 4.885 -1.139 -5.353 1.00 0.00 C ATOM 1187 O LEU A 77 4.970 -2.155 -6.046 1.00 0.00 O ATOM 1188 CB LEU A 77 6.355 -1.251 -3.326 1.00 0.00 C ATOM 1189 CG LEU A 77 6.521 -1.208 -1.804 1.00 0.00 C ATOM 1190 CD1 LEU A 77 5.900 -2.436 -1.158 1.00 0.00 C ATOM 1191 CD2 LEU A 77 7.992 -1.095 -1.434 1.00 0.00 C ATOM 0 H LEU A 77 4.655 -3.297 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 77 4.409 -0.350 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.840 -2.152 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.884 -0.401 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 77 6.000 -0.327 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.030 -2.384 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.837 -2.473 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.388 -3.333 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.093 -1.066 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.533 -1.957 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.406 -0.182 -1.862 1.00 0.00 H new ATOM 1203 N PHE A 78 4.757 0.085 -5.866 1.00 0.00 N ATOM 1204 CA PHE A 78 4.702 0.323 -7.308 1.00 0.00 C ATOM 1205 C PHE A 78 5.418 1.622 -7.684 1.00 0.00 C ATOM 1206 O PHE A 78 5.094 2.680 -7.144 1.00 0.00 O ATOM 1207 CB PHE A 78 3.236 0.430 -7.744 1.00 0.00 C ATOM 1208 CG PHE A 78 2.394 -0.756 -7.365 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.560 -1.978 -7.996 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.436 -0.646 -6.371 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.784 -3.067 -7.644 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.657 -1.730 -6.014 1.00 0.00 C ATOM 1213 CZ PHE A 78 0.831 -2.941 -6.651 1.00 0.00 C ATOM 0 H PHE A 78 4.689 0.931 -5.300 1.00 0.00 H new ATOM 0 HA PHE A 78 5.198 -0.508 -7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.801 1.327 -7.302 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.198 0.558 -8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.304 -2.081 -8.772 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.296 0.300 -5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.922 -4.014 -8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.087 -1.629 -5.238 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.223 -3.790 -6.374 1.00 0.00 H new ATOM 1223 N LYS A 79 6.367 1.564 -8.627 1.00 0.00 N ATOM 1224 CA LYS A 79 7.062 2.789 -9.050 1.00 0.00 C ATOM 1225 C LYS A 79 6.838 3.072 -10.534 1.00 0.00 C ATOM 1226 O LYS A 79 6.896 2.168 -11.366 1.00 0.00 O ATOM 1227 CB LYS A 79 8.563 2.731 -8.747 1.00 0.00 C ATOM 1228 CG LYS A 79 8.895 2.856 -7.267 1.00 0.00 C ATOM 1229 CD LYS A 79 10.320 3.346 -7.050 1.00 0.00 C ATOM 1230 CE LYS A 79 11.346 2.422 -7.688 1.00 0.00 C ATOM 1231 NZ LYS A 79 12.726 2.973 -7.588 1.00 0.00 N ATOM 0 H LYS A 79 6.665 0.711 -9.100 1.00 0.00 H new ATOM 0 HA LYS A 79 6.633 3.606 -8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.964 1.789 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.065 3.530 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.197 3.547 -6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.765 1.889 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.426 4.348 -7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.518 3.423 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.308 1.447 -7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.092 2.266 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.391 2.331 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.761 3.907 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.991 3.066 -6.587 1.00 0.00 H new ATOM 1245 N ASN A 80 6.578 4.343 -10.857 1.00 0.00 N ATOM 1246 CA ASN A 80 6.340 4.757 -12.240 1.00 0.00 C ATOM 1247 C ASN A 80 5.286 3.881 -12.915 1.00 0.00 C ATOM 1248 O ASN A 80 5.559 3.224 -13.917 1.00 0.00 O ATOM 1249 CB ASN A 80 7.641 4.725 -13.044 1.00 0.00 C ATOM 1250 CG ASN A 80 8.655 5.735 -12.548 1.00 0.00 C ATOM 1251 OD1 ASN A 80 8.372 6.932 -12.476 1.00 0.00 O ATOM 1252 ND2 ASN A 80 9.848 5.262 -12.212 1.00 0.00 N ATOM 0 H ASN A 80 6.527 5.102 -10.178 1.00 0.00 H new ATOM 0 HA ASN A 80 5.963 5.779 -12.214 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.073 3.726 -12.991 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.421 4.922 -14.093 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.573 5.897 -11.879 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.040 4.263 -12.287 1.00 0.00 H new ATOM 1259 N GLY A 81 4.077 3.888 -12.362 1.00 0.00 N ATOM 1260 CA GLY A 81 2.988 3.102 -12.916 1.00 0.00 C ATOM 1261 C GLY A 81 3.372 1.657 -13.164 1.00 0.00 C ATOM 1262 O GLY A 81 2.793 0.989 -14.020 1.00 0.00 O ATOM 0 H GLY A 81 3.830 4.429 -11.533 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.139 3.135 -12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.662 3.552 -13.853 1.00 0.00 H new ATOM 1266 N LYS A 82 4.345 1.177 -12.405 1.00 0.00 N ATOM 1267 CA LYS A 82 4.811 -0.195 -12.526 1.00 0.00 C ATOM 1268 C LYS A 82 4.906 -0.831 -11.143 1.00 0.00 C ATOM 1269 O LYS A 82 4.280 -0.364 -10.198 1.00 0.00 O ATOM 1270 CB LYS A 82 6.166 -0.229 -13.242 1.00 0.00 C ATOM 1271 CG LYS A 82 6.107 0.272 -14.677 1.00 0.00 C ATOM 1272 CD LYS A 82 7.483 0.280 -15.321 1.00 0.00 C ATOM 1273 CE LYS A 82 7.423 0.784 -16.754 1.00 0.00 C ATOM 1274 NZ LYS A 82 8.767 0.793 -17.396 1.00 0.00 N ATOM 0 H LYS A 82 4.830 1.723 -11.693 1.00 0.00 H new ATOM 0 HA LYS A 82 4.100 -0.768 -13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.879 0.377 -12.683 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.545 -1.251 -13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.436 -0.362 -15.257 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.690 1.279 -14.695 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.155 0.912 -14.740 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.899 -0.727 -15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.748 0.153 -17.333 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.007 1.792 -16.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.683 1.143 -18.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.404 1.415 -16.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.153 -0.173 -17.407 1.00 0.00 H new ATOM 1288 N GLU A 83 5.683 -1.890 -11.029 1.00 0.00 N ATOM 1289 CA GLU A 83 5.850 -2.584 -9.762 1.00 0.00 C ATOM 1290 C GLU A 83 7.255 -2.324 -9.225 1.00 0.00 C ATOM 1291 O GLU A 83 8.025 -1.596 -9.852 1.00 0.00 O ATOM 1292 CB GLU A 83 5.601 -4.086 -9.989 1.00 0.00 C ATOM 1293 CG GLU A 83 5.592 -4.940 -8.731 1.00 0.00 C ATOM 1294 CD GLU A 83 5.029 -6.327 -8.977 1.00 0.00 C ATOM 1295 OE1 GLU A 83 3.857 -6.425 -9.397 1.00 0.00 O ATOM 1296 OE2 GLU A 83 5.761 -7.313 -8.751 1.00 0.00 O ATOM 0 H GLU A 83 6.213 -2.293 -11.802 1.00 0.00 H new ATOM 0 HA GLU A 83 5.136 -2.220 -9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.644 -4.206 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.369 -4.467 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.608 -5.026 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.002 -4.442 -7.962 1.00 0.00 H new ATOM 1303 N VAL A 84 7.578 -2.894 -8.067 1.00 0.00 N ATOM 1304 CA VAL A 84 8.893 -2.721 -7.461 1.00 0.00 C ATOM 1305 C VAL A 84 9.144 -3.765 -6.382 1.00 0.00 C ATOM 1306 O VAL A 84 10.193 -4.410 -6.366 1.00 0.00 O ATOM 1307 CB VAL A 84 9.081 -1.323 -6.851 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.217 -0.280 -7.941 1.00 0.00 C ATOM 1309 CG2 VAL A 84 7.930 -0.990 -5.922 1.00 0.00 C ATOM 0 H VAL A 84 6.943 -3.482 -7.528 1.00 0.00 H new ATOM 0 HA VAL A 84 9.613 -2.844 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 84 10.001 -1.321 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.349 0.703 -7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.082 -0.513 -8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.318 -0.278 -8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.080 0.003 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.994 -1.009 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.888 -1.724 -5.118 1.00 0.00 H new ATOM 1319 N ALA A 85 8.182 -3.931 -5.477 1.00 0.00 N ATOM 1320 CA ALA A 85 8.330 -4.905 -4.404 1.00 0.00 C ATOM 1321 C ALA A 85 7.002 -5.191 -3.715 1.00 0.00 C ATOM 1322 O ALA A 85 6.084 -4.371 -3.740 1.00 0.00 O ATOM 1323 CB ALA A 85 9.354 -4.417 -3.390 1.00 0.00 C ATOM 0 H ALA A 85 7.305 -3.411 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 85 8.679 -5.837 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.456 -5.153 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.317 -4.280 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.024 -3.468 -2.967 1.00 0.00 H new ATOM 1329 N LYS A 86 6.919 -6.359 -3.092 1.00 0.00 N ATOM 1330 CA LYS A 86 5.717 -6.768 -2.380 1.00 0.00 C ATOM 1331 C LYS A 86 6.085 -7.448 -1.067 1.00 0.00 C ATOM 1332 O LYS A 86 6.681 -8.524 -1.057 1.00 0.00 O ATOM 1333 CB LYS A 86 4.872 -7.707 -3.244 1.00 0.00 C ATOM 1334 CG LYS A 86 5.612 -8.956 -3.698 1.00 0.00 C ATOM 1335 CD LYS A 86 4.739 -9.826 -4.588 1.00 0.00 C ATOM 1336 CE LYS A 86 5.476 -11.076 -5.040 1.00 0.00 C ATOM 1337 NZ LYS A 86 6.706 -10.748 -5.814 1.00 0.00 N ATOM 0 H LYS A 86 7.675 -7.043 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 86 5.128 -5.877 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.987 -8.005 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.524 -7.163 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.514 -8.670 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.931 -9.529 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.836 -10.110 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.422 -9.254 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.744 -11.674 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.813 -11.686 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.057 -11.605 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.485 -10.024 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.436 -10.386 -5.168 1.00 0.00 H new ATOM 1351 N VAL A 87 5.735 -6.807 0.040 1.00 0.00 N ATOM 1352 CA VAL A 87 6.036 -7.346 1.360 1.00 0.00 C ATOM 1353 C VAL A 87 4.776 -7.449 2.210 1.00 0.00 C ATOM 1354 O VAL A 87 4.409 -6.507 2.911 1.00 0.00 O ATOM 1355 CB VAL A 87 7.074 -6.477 2.096 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.429 -7.087 3.445 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.320 -6.298 1.241 1.00 0.00 C ATOM 0 H VAL A 87 5.243 -5.914 0.051 1.00 0.00 H new ATOM 0 HA VAL A 87 6.450 -8.343 1.211 1.00 0.00 H new ATOM 0 HB VAL A 87 6.635 -5.495 2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.163 -6.457 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.532 -7.159 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.847 -8.083 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.043 -5.682 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.760 -7.273 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.051 -5.811 0.304 1.00 0.00 H new ATOM 1367 N VAL A 88 4.120 -8.600 2.145 1.00 0.00 N ATOM 1368 CA VAL A 88 2.903 -8.829 2.909 1.00 0.00 C ATOM 1369 C VAL A 88 3.173 -8.734 4.409 1.00 0.00 C ATOM 1370 O VAL A 88 3.394 -9.744 5.079 1.00 0.00 O ATOM 1371 CB VAL A 88 2.286 -10.203 2.578 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.279 -11.319 2.862 1.00 0.00 C ATOM 1373 CG2 VAL A 88 0.995 -10.415 3.352 1.00 0.00 C ATOM 0 H VAL A 88 4.412 -9.390 1.570 1.00 0.00 H new ATOM 0 HA VAL A 88 2.193 -8.051 2.628 1.00 0.00 H new ATOM 0 HB VAL A 88 2.048 -10.224 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.825 -12.280 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.171 -11.177 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.555 -11.301 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.577 -11.391 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.201 -10.371 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.280 -9.636 3.087 1.00 0.00 H new ATOM 1383 N GLY A 89 3.159 -7.510 4.926 1.00 0.00 N ATOM 1384 CA GLY A 89 3.407 -7.292 6.339 1.00 0.00 C ATOM 1385 C GLY A 89 4.059 -5.948 6.607 1.00 0.00 C ATOM 1386 O GLY A 89 5.203 -5.718 6.214 1.00 0.00 O ATOM 0 H GLY A 89 2.979 -6.662 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.465 -7.352 6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.048 -8.087 6.720 1.00 0.00 H new ATOM 1390 N ALA A 90 3.330 -5.058 7.273 1.00 0.00 N ATOM 1391 CA ALA A 90 3.845 -3.730 7.588 1.00 0.00 C ATOM 1392 C ALA A 90 4.443 -3.684 8.987 1.00 0.00 C ATOM 1393 O ALA A 90 4.309 -2.687 9.699 1.00 0.00 O ATOM 1394 CB ALA A 90 2.745 -2.689 7.445 1.00 0.00 C ATOM 0 H ALA A 90 2.381 -5.232 7.605 1.00 0.00 H new ATOM 0 HA ALA A 90 4.641 -3.502 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.144 -1.703 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.372 -2.692 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.929 -2.925 8.129 1.00 0.00 H new ATOM 1400 N ASN A 91 5.110 -4.763 9.372 1.00 0.00 N ATOM 1401 CA ASN A 91 5.738 -4.850 10.672 1.00 0.00 C ATOM 1402 C ASN A 91 6.994 -3.984 10.713 1.00 0.00 C ATOM 1403 O ASN A 91 7.822 -4.048 9.805 1.00 0.00 O ATOM 1404 CB ASN A 91 6.089 -6.304 10.965 1.00 0.00 C ATOM 1405 CG ASN A 91 4.862 -7.193 11.037 1.00 0.00 C ATOM 1406 OD1 ASN A 91 4.104 -7.305 10.073 1.00 0.00 O ATOM 1407 ND2 ASN A 91 4.661 -7.833 12.183 1.00 0.00 N ATOM 0 H ASN A 91 5.228 -5.594 8.793 1.00 0.00 H new ATOM 0 HA ASN A 91 5.046 -4.485 11.431 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.759 -6.676 10.190 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.631 -6.361 11.909 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.853 -8.446 12.290 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.315 -7.711 12.957 1.00 0.00 H new ATOM 1414 N PRO A 92 7.154 -3.157 11.763 1.00 0.00 N ATOM 1415 CA PRO A 92 8.319 -2.275 11.907 1.00 0.00 C ATOM 1416 C PRO A 92 9.638 -2.994 11.637 1.00 0.00 C ATOM 1417 O PRO A 92 10.283 -3.491 12.560 1.00 0.00 O ATOM 1418 CB PRO A 92 8.236 -1.835 13.366 1.00 0.00 C ATOM 1419 CG PRO A 92 6.778 -1.841 13.657 1.00 0.00 C ATOM 1420 CD PRO A 92 6.215 -3.007 12.892 1.00 0.00 C ATOM 0 HA PRO A 92 8.302 -1.452 11.192 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.777 -2.518 14.021 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.668 -0.845 13.510 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.593 -1.948 14.726 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.313 -0.906 13.344 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.175 -3.908 13.504 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.200 -2.810 12.548 1.00 0.00 H new ATOM 1428 N ALA A 93 10.033 -3.047 10.367 1.00 0.00 N ATOM 1429 CA ALA A 93 11.275 -3.707 9.979 1.00 0.00 C ATOM 1430 C ALA A 93 11.432 -3.752 8.461 1.00 0.00 C ATOM 1431 O ALA A 93 12.542 -3.639 7.943 1.00 0.00 O ATOM 1432 CB ALA A 93 11.330 -5.117 10.553 1.00 0.00 C ATOM 0 H ALA A 93 9.511 -2.641 9.591 1.00 0.00 H new ATOM 0 HA ALA A 93 12.101 -3.124 10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.263 -5.595 10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.279 -5.069 11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.488 -5.697 10.175 1.00 0.00 H new ATOM 1438 N ALA A 94 10.318 -3.926 7.752 1.00 0.00 N ATOM 1439 CA ALA A 94 10.353 -3.992 6.294 1.00 0.00 C ATOM 1440 C ALA A 94 9.608 -2.830 5.659 1.00 0.00 C ATOM 1441 O ALA A 94 10.117 -2.189 4.740 1.00 0.00 O ATOM 1442 CB ALA A 94 9.789 -5.319 5.808 1.00 0.00 C ATOM 0 H ALA A 94 9.388 -4.023 8.160 1.00 0.00 H new ATOM 0 HA ALA A 94 11.396 -3.919 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.822 -5.352 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.383 -6.138 6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.756 -5.420 6.142 1.00 0.00 H new ATOM 1448 N ILE A 95 8.409 -2.546 6.152 1.00 0.00 N ATOM 1449 CA ILE A 95 7.618 -1.443 5.624 1.00 0.00 C ATOM 1450 C ILE A 95 8.415 -0.136 5.628 1.00 0.00 C ATOM 1451 O ILE A 95 8.030 0.833 4.974 1.00 0.00 O ATOM 1452 CB ILE A 95 6.319 -1.259 6.435 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.527 -0.041 5.947 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.636 -1.126 7.916 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.176 -0.082 4.475 1.00 0.00 C ATOM 0 H ILE A 95 7.965 -3.061 6.912 1.00 0.00 H new ATOM 0 HA ILE A 95 7.362 -1.692 4.594 1.00 0.00 H new ATOM 0 HB ILE A 95 5.700 -2.143 6.284 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.607 0.037 6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.107 0.860 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.710 -0.997 8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.146 -2.025 8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.279 -0.260 8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.617 0.815 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.091 -0.128 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.568 -0.963 4.270 1.00 0.00 H new ATOM 1467 N LYS A 96 9.531 -0.115 6.359 1.00 0.00 N ATOM 1468 CA LYS A 96 10.371 1.076 6.427 1.00 0.00 C ATOM 1469 C LYS A 96 11.443 1.046 5.346 1.00 0.00 C ATOM 1470 O LYS A 96 11.625 2.016 4.609 1.00 0.00 O ATOM 1471 CB LYS A 96 11.012 1.203 7.813 1.00 0.00 C ATOM 1472 CG LYS A 96 11.896 0.027 8.193 1.00 0.00 C ATOM 1473 CD LYS A 96 12.447 0.176 9.602 1.00 0.00 C ATOM 1474 CE LYS A 96 13.293 1.431 9.741 1.00 0.00 C ATOM 1475 NZ LYS A 96 13.840 1.582 11.118 1.00 0.00 N ATOM 0 H LYS A 96 9.870 -0.905 6.908 1.00 0.00 H new ATOM 0 HA LYS A 96 9.739 1.947 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.606 2.117 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.224 1.308 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.324 -0.898 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.721 -0.053 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.622 0.211 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.048 -0.698 9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.115 1.396 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.690 2.304 9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.411 2.450 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.056 1.641 11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.436 0.761 11.347 1.00 0.00 H new ATOM 1489 N GLN A 97 12.148 -0.077 5.251 1.00 0.00 N ATOM 1490 CA GLN A 97 13.198 -0.235 4.253 1.00 0.00 C ATOM 1491 C GLN A 97 12.593 -0.409 2.868 1.00 0.00 C ATOM 1492 O GLN A 97 13.168 0.019 1.868 1.00 0.00 O ATOM 1493 CB GLN A 97 14.080 -1.438 4.591 1.00 0.00 C ATOM 1494 CG GLN A 97 14.777 -1.327 5.937 1.00 0.00 C ATOM 1495 CD GLN A 97 15.662 -2.521 6.234 1.00 0.00 C ATOM 1496 OE1 GLN A 97 16.602 -2.811 5.494 1.00 0.00 O ATOM 1497 NE2 GLN A 97 15.365 -3.222 7.322 1.00 0.00 N ATOM 0 H GLN A 97 12.011 -0.889 5.852 1.00 0.00 H new ATOM 0 HA GLN A 97 13.813 0.665 4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.468 -2.340 4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.832 -1.556 3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.379 -0.419 5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.028 -1.230 6.723 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.577 -2.946 7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.925 -4.037 7.573 1.00 0.00 H new ATOM 1506 N ALA A 98 11.422 -1.036 2.820 1.00 0.00 N ATOM 1507 CA ALA A 98 10.732 -1.261 1.557 1.00 0.00 C ATOM 1508 C ALA A 98 10.394 0.064 0.885 1.00 0.00 C ATOM 1509 O ALA A 98 10.338 0.157 -0.341 1.00 0.00 O ATOM 1510 CB ALA A 98 9.471 -2.080 1.783 1.00 0.00 C ATOM 0 H ALA A 98 10.933 -1.396 3.639 1.00 0.00 H new ATOM 0 HA ALA A 98 11.396 -1.819 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.966 -2.240 0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.736 -3.043 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.806 -1.545 2.461 1.00 0.00 H new ATOM 1516 N ILE A 99 10.172 1.089 1.701 1.00 0.00 N ATOM 1517 CA ILE A 99 9.842 2.416 1.198 1.00 0.00 C ATOM 1518 C ILE A 99 11.104 3.254 0.973 1.00 0.00 C ATOM 1519 O ILE A 99 11.060 4.286 0.305 1.00 0.00 O ATOM 1520 CB ILE A 99 8.903 3.157 2.176 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.620 2.349 2.386 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.579 4.552 1.656 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.662 2.975 3.377 1.00 0.00 C ATOM 0 H ILE A 99 10.215 1.025 2.718 1.00 0.00 H new ATOM 0 HA ILE A 99 9.333 2.283 0.243 1.00 0.00 H new ATOM 0 HB ILE A 99 9.411 3.262 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.113 2.233 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.883 1.349 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.917 5.058 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.501 5.124 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.087 4.474 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.777 2.347 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.150 3.066 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.368 3.964 3.024 1.00 0.00 H new ATOM 1535 N ALA A 100 12.224 2.805 1.533 1.00 0.00 N ATOM 1536 CA ALA A 100 13.488 3.517 1.393 1.00 0.00 C ATOM 1537 C ALA A 100 14.259 3.035 0.170 1.00 0.00 C ATOM 1538 O ALA A 100 14.388 3.756 -0.819 1.00 0.00 O ATOM 1539 CB ALA A 100 14.329 3.348 2.651 1.00 0.00 C ATOM 0 H ALA A 100 12.281 1.951 2.088 1.00 0.00 H new ATOM 0 HA ALA A 100 13.267 4.575 1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.271 3.884 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.787 3.749 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.532 2.289 2.813 1.00 0.00 H new ATOM 1545 N ALA A 101 14.772 1.811 0.248 1.00 0.00 N ATOM 1546 CA ALA A 101 15.534 1.229 -0.850 1.00 0.00 C ATOM 1547 C ALA A 101 14.790 1.367 -2.174 1.00 0.00 C ATOM 1548 O ALA A 101 15.406 1.442 -3.238 1.00 0.00 O ATOM 1549 CB ALA A 101 15.835 -0.235 -0.564 1.00 0.00 C ATOM 0 H ALA A 101 14.673 1.203 1.061 1.00 0.00 H new ATOM 0 HA ALA A 101 16.474 1.775 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.404 -0.658 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.417 -0.314 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.900 -0.783 -0.450 1.00 0.00 H new ATOM 1555 N ASN A 102 13.462 1.401 -2.105 1.00 0.00 N ATOM 1556 CA ASN A 102 12.639 1.529 -3.290 1.00 0.00 C ATOM 1557 C ASN A 102 12.509 2.989 -3.712 1.00 0.00 C ATOM 1558 O ASN A 102 12.691 3.327 -4.882 1.00 0.00 O ATOM 1559 CB ASN A 102 11.264 0.936 -3.013 1.00 0.00 C ATOM 1560 CG ASN A 102 11.314 -0.564 -2.801 1.00 0.00 C ATOM 1561 OD1 ASN A 102 11.983 -1.053 -1.889 1.00 0.00 O ATOM 1562 ND2 ASN A 102 10.606 -1.305 -3.644 1.00 0.00 N ATOM 0 H ASN A 102 12.936 1.341 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 102 13.114 0.987 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.838 1.411 -2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.600 1.160 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.602 -2.321 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.066 -0.859 -4.385 1.00 0.00 H new ATOM 1569 N ALA A 103 12.192 3.852 -2.751 1.00 0.00 N ATOM 1570 CA ALA A 103 12.037 5.275 -3.025 1.00 0.00 C ATOM 1571 C ALA A 103 13.370 5.910 -3.402 1.00 0.00 C ATOM 1572 O ALA A 103 13.693 5.933 -4.609 1.00 0.00 O ATOM 1573 CB ALA A 103 11.437 5.982 -1.818 1.00 0.00 C ATOM 1574 OXT ALA A 103 14.080 6.380 -2.489 1.00 0.00 O ATOM 0 H ALA A 103 12.038 3.590 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 103 11.360 5.385 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.327 7.044 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.460 5.554 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.094 5.855 -0.958 1.00 0.00 H new TER 1580 ALA A 103