USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 125:sc= 1.35 USER MOD Set 1.2: A 51 TYR OH : rot 31:sc= 0.0858 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.16) USER MOD Single : A 6 THR OG1 : rot -160:sc= -0.207 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 120:sc= -0.926 USER MOD Single : A 12 MET CE :methyl -178:sc= 0 (180deg=-0.00755) USER MOD Single : A 16 GLN : amide:sc=-0.00752 X(o=-0.0075,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc=-0.00352 (180deg=-0.133) USER MOD Single : A 19 THR OG1 : rot 62:sc= -0.809 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0381 K(o=-0.038,f=-1.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.215 K(o=-0.22,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.56) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0463) USER MOD Single : A 45 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.6) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.366 15.164 4.029 1.00 0.00 N ATOM 2 CA MET A 1 2.479 14.957 3.066 1.00 0.00 C ATOM 3 C MET A 1 2.754 13.472 2.850 1.00 0.00 C ATOM 4 O MET A 1 3.144 12.763 3.777 1.00 0.00 O ATOM 5 CB MET A 1 3.730 15.654 3.610 1.00 0.00 C ATOM 6 CG MET A 1 4.681 16.132 2.526 1.00 0.00 C ATOM 7 SD MET A 1 6.413 15.943 2.990 1.00 0.00 S ATOM 8 CE MET A 1 6.557 17.184 4.272 1.00 0.00 C ATOM 0 H1 MET A 1 1.202 16.183 4.156 1.00 0.00 H new ATOM 0 H2 MET A 1 0.502 14.717 3.662 1.00 0.00 H new ATOM 0 H3 MET A 1 1.615 14.737 4.944 1.00 0.00 H new ATOM 0 HA MET A 1 2.201 15.382 2.101 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.426 16.507 4.216 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.260 14.967 4.270 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.491 15.574 1.609 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.480 17.181 2.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.575 17.190 4.660 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.321 18.164 3.858 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.862 16.955 5.080 1.00 0.00 H new ATOM 20 N GLU A 2 2.548 13.010 1.621 1.00 0.00 N ATOM 21 CA GLU A 2 2.774 11.609 1.282 1.00 0.00 C ATOM 22 C GLU A 2 1.841 10.699 2.074 1.00 0.00 C ATOM 23 O GLU A 2 1.881 10.670 3.303 1.00 0.00 O ATOM 24 CB GLU A 2 4.231 11.224 1.551 1.00 0.00 C ATOM 25 CG GLU A 2 4.796 10.237 0.542 1.00 0.00 C ATOM 26 CD GLU A 2 6.310 10.205 0.544 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.928 11.272 0.342 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.881 9.112 0.745 1.00 0.00 O ATOM 0 H GLU A 2 2.225 13.585 0.843 1.00 0.00 H new ATOM 0 HA GLU A 2 2.562 11.481 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.843 12.126 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.306 10.793 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.415 9.240 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.443 10.500 -0.455 1.00 0.00 H new ATOM 35 N GLN A 3 1.001 9.956 1.358 1.00 0.00 N ATOM 36 CA GLN A 3 0.057 9.043 1.993 1.00 0.00 C ATOM 37 C GLN A 3 0.185 7.639 1.409 1.00 0.00 C ATOM 38 O GLN A 3 -0.809 6.935 1.231 1.00 0.00 O ATOM 39 CB GLN A 3 -1.374 9.554 1.818 1.00 0.00 C ATOM 40 CG GLN A 3 -2.250 9.341 3.042 1.00 0.00 C ATOM 41 CD GLN A 3 -2.432 10.607 3.855 1.00 0.00 C ATOM 42 OE1 GLN A 3 -2.826 11.648 3.326 1.00 0.00 O ATOM 43 NE2 GLN A 3 -2.144 10.526 5.149 1.00 0.00 N ATOM 0 H GLN A 3 0.955 9.969 0.339 1.00 0.00 H new ATOM 0 HA GLN A 3 0.290 8.997 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.345 10.618 1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.829 9.051 0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.226 8.973 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.807 8.570 3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.821 9.643 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.246 11.346 5.747 1.00 0.00 H new ATOM 52 N ARG A 4 1.418 7.244 1.115 1.00 0.00 N ATOM 53 CA ARG A 4 1.688 5.926 0.549 1.00 0.00 C ATOM 54 C ARG A 4 2.479 5.068 1.523 1.00 0.00 C ATOM 55 O ARG A 4 3.700 5.184 1.627 1.00 0.00 O ATOM 56 CB ARG A 4 2.448 6.061 -0.772 1.00 0.00 C ATOM 57 CG ARG A 4 3.731 6.870 -0.659 1.00 0.00 C ATOM 58 CD ARG A 4 3.597 8.226 -1.334 1.00 0.00 C ATOM 59 NE ARG A 4 3.039 8.114 -2.679 1.00 0.00 N ATOM 60 CZ ARG A 4 3.735 7.716 -3.741 1.00 0.00 C ATOM 61 NH1 ARG A 4 5.015 7.390 -3.618 1.00 0.00 N ATOM 62 NH2 ARG A 4 3.149 7.640 -4.928 1.00 0.00 N ATOM 0 H ARG A 4 2.249 7.818 1.259 1.00 0.00 H new ATOM 0 HA ARG A 4 0.733 5.436 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.688 5.066 -1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.797 6.530 -1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.983 7.009 0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.553 6.316 -1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.959 8.871 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.575 8.704 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 4 2.057 8.355 -2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.470 7.444 -2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.544 7.085 -4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.164 7.887 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.683 7.335 -5.742 1.00 0.00 H new ATOM 76 N ILE A 5 1.767 4.199 2.228 1.00 0.00 N ATOM 77 CA ILE A 5 2.387 3.303 3.193 1.00 0.00 C ATOM 78 C ILE A 5 2.810 2.008 2.511 1.00 0.00 C ATOM 79 O ILE A 5 2.785 1.908 1.287 1.00 0.00 O ATOM 80 CB ILE A 5 1.434 2.970 4.363 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.396 4.077 4.552 1.00 0.00 C ATOM 82 CG2 ILE A 5 2.221 2.753 5.649 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.483 3.889 5.771 1.00 0.00 C ATOM 0 H ILE A 5 0.755 4.096 2.149 1.00 0.00 H new ATOM 0 HA ILE A 5 3.260 3.816 3.596 1.00 0.00 H new ATOM 0 HB ILE A 5 0.908 2.047 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.910 5.035 4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.235 4.126 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.533 2.520 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.917 1.925 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.777 3.659 5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.193 4.713 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.026 2.948 5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.137 3.871 6.667 1.00 0.00 H new ATOM 95 N THR A 6 3.194 1.018 3.307 1.00 0.00 N ATOM 96 CA THR A 6 3.619 -0.270 2.770 1.00 0.00 C ATOM 97 C THR A 6 2.440 -1.226 2.640 1.00 0.00 C ATOM 98 O THR A 6 1.507 -1.187 3.443 1.00 0.00 O ATOM 99 CB THR A 6 4.697 -0.887 3.664 1.00 0.00 C ATOM 100 OG1 THR A 6 4.592 -0.395 4.988 1.00 0.00 O ATOM 101 CG2 THR A 6 6.105 -0.613 3.183 1.00 0.00 C ATOM 0 H THR A 6 3.220 1.081 4.325 1.00 0.00 H new ATOM 0 HA THR A 6 4.033 -0.101 1.776 1.00 0.00 H new ATOM 0 HB THR A 6 4.521 -1.962 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.441 -0.534 5.457 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.819 -1.079 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.234 -1.025 2.182 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.278 0.463 3.157 1.00 0.00 H new ATOM 109 N LEU A 7 2.488 -2.087 1.628 1.00 0.00 N ATOM 110 CA LEU A 7 1.425 -3.058 1.399 1.00 0.00 C ATOM 111 C LEU A 7 1.343 -4.051 2.553 1.00 0.00 C ATOM 112 O LEU A 7 0.256 -4.374 3.032 1.00 0.00 O ATOM 113 CB LEU A 7 1.659 -3.803 0.083 1.00 0.00 C ATOM 114 CG LEU A 7 0.640 -4.901 -0.230 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.653 -4.295 -0.757 1.00 0.00 C ATOM 116 CD2 LEU A 7 1.214 -5.889 -1.233 1.00 0.00 C ATOM 0 H LEU A 7 3.252 -2.132 0.954 1.00 0.00 H new ATOM 0 HA LEU A 7 0.480 -2.519 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.653 -3.080 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.654 -4.248 0.107 1.00 0.00 H new ATOM 0 HG LEU A 7 0.417 -5.437 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.366 -5.091 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.074 -3.626 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.447 -3.734 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.476 -6.663 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.466 -5.366 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.112 -6.347 -0.819 1.00 0.00 H new ATOM 128 N LYS A 8 2.502 -4.528 2.996 1.00 0.00 N ATOM 129 CA LYS A 8 2.566 -5.482 4.099 1.00 0.00 C ATOM 130 C LYS A 8 1.953 -4.891 5.363 1.00 0.00 C ATOM 131 O LYS A 8 1.090 -5.503 5.993 1.00 0.00 O ATOM 132 CB LYS A 8 4.016 -5.890 4.363 1.00 0.00 C ATOM 133 CG LYS A 8 4.152 -7.100 5.273 1.00 0.00 C ATOM 134 CD LYS A 8 4.419 -6.688 6.712 1.00 0.00 C ATOM 135 CE LYS A 8 5.423 -7.614 7.380 1.00 0.00 C ATOM 136 NZ LYS A 8 6.241 -6.906 8.403 1.00 0.00 N ATOM 0 H LYS A 8 3.410 -4.270 2.609 1.00 0.00 H new ATOM 0 HA LYS A 8 1.993 -6.366 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.503 -6.105 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.546 -5.049 4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.240 -7.695 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.965 -7.734 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.795 -5.665 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.485 -6.697 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.894 -8.444 7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.080 -8.042 6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.912 -7.574 8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.766 -6.130 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.617 -6.519 9.139 1.00 0.00 H new ATOM 150 N ASP A 9 2.403 -3.695 5.726 1.00 0.00 N ATOM 151 CA ASP A 9 1.899 -3.017 6.915 1.00 0.00 C ATOM 152 C ASP A 9 0.414 -2.701 6.768 1.00 0.00 C ATOM 153 O ASP A 9 -0.323 -2.663 7.752 1.00 0.00 O ATOM 154 CB ASP A 9 2.685 -1.727 7.162 1.00 0.00 C ATOM 155 CG ASP A 9 4.146 -1.991 7.469 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.680 -3.008 6.979 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.756 -1.181 8.198 1.00 0.00 O ATOM 0 H ASP A 9 3.116 -3.175 5.214 1.00 0.00 H new ATOM 0 HA ASP A 9 2.029 -3.683 7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.611 -1.086 6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.234 -1.183 7.992 1.00 0.00 H new ATOM 162 N TYR A 10 -0.017 -2.476 5.531 1.00 0.00 N ATOM 163 CA TYR A 10 -1.412 -2.163 5.248 1.00 0.00 C ATOM 164 C TYR A 10 -2.328 -3.300 5.690 1.00 0.00 C ATOM 165 O TYR A 10 -3.333 -3.075 6.364 1.00 0.00 O ATOM 166 CB TYR A 10 -1.595 -1.900 3.754 1.00 0.00 C ATOM 167 CG TYR A 10 -2.777 -1.018 3.428 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.077 -1.492 3.550 1.00 0.00 C ATOM 169 CD2 TYR A 10 -2.593 0.287 2.990 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.160 -0.690 3.246 1.00 0.00 C ATOM 171 CE2 TYR A 10 -3.670 1.096 2.685 1.00 0.00 C ATOM 172 CZ TYR A 10 -4.951 0.603 2.813 1.00 0.00 C ATOM 173 OH TYR A 10 -6.027 1.406 2.509 1.00 0.00 O ATOM 0 H TYR A 10 0.583 -2.505 4.706 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.681 -1.268 5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.689 -1.436 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.713 -2.853 3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.244 -2.504 3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.591 0.676 2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.165 -1.073 3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.509 2.109 2.348 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.017 2.198 3.086 1.00 0.00 H new ATOM 183 N ALA A 11 -1.977 -4.521 5.299 1.00 0.00 N ATOM 184 CA ALA A 11 -2.769 -5.693 5.649 1.00 0.00 C ATOM 185 C ALA A 11 -2.828 -5.894 7.161 1.00 0.00 C ATOM 186 O ALA A 11 -3.853 -6.305 7.702 1.00 0.00 O ATOM 187 CB ALA A 11 -2.199 -6.932 4.974 1.00 0.00 C ATOM 0 H ALA A 11 -1.149 -4.724 4.739 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.786 -5.529 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.799 -7.801 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.218 -6.798 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.171 -7.085 5.303 1.00 0.00 H new ATOM 193 N MET A 12 -1.722 -5.609 7.836 1.00 0.00 N ATOM 194 CA MET A 12 -1.649 -5.765 9.280 1.00 0.00 C ATOM 195 C MET A 12 -2.243 -4.558 10.001 1.00 0.00 C ATOM 196 O MET A 12 -2.700 -4.666 11.139 1.00 0.00 O ATOM 197 CB MET A 12 -0.197 -5.975 9.719 1.00 0.00 C ATOM 198 CG MET A 12 0.104 -7.399 10.161 1.00 0.00 C ATOM 199 SD MET A 12 1.854 -7.663 10.504 1.00 0.00 S ATOM 200 CE MET A 12 2.257 -8.904 9.277 1.00 0.00 C ATOM 0 H MET A 12 -0.863 -5.268 7.405 1.00 0.00 H new ATOM 0 HA MET A 12 -2.236 -6.643 9.550 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.465 -5.712 8.894 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.028 -5.293 10.539 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.476 -7.628 11.055 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.219 -8.092 9.385 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.301 -9.198 9.386 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.618 -9.776 9.418 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.098 -8.495 8.279 1.00 0.00 H new ATOM 210 N ARG A 13 -2.226 -3.412 9.336 1.00 0.00 N ATOM 211 CA ARG A 13 -2.756 -2.182 9.915 1.00 0.00 C ATOM 212 C ARG A 13 -4.237 -2.003 9.595 1.00 0.00 C ATOM 213 O ARG A 13 -5.088 -2.074 10.482 1.00 0.00 O ATOM 214 CB ARG A 13 -1.963 -0.974 9.411 1.00 0.00 C ATOM 215 CG ARG A 13 -2.104 0.256 10.295 1.00 0.00 C ATOM 216 CD ARG A 13 -1.043 1.296 9.975 1.00 0.00 C ATOM 217 NE ARG A 13 0.173 1.098 10.760 1.00 0.00 N ATOM 218 CZ ARG A 13 1.357 1.615 10.435 1.00 0.00 C ATOM 219 NH1 ARG A 13 1.487 2.362 9.346 1.00 0.00 N ATOM 220 NH2 ARG A 13 2.413 1.387 11.204 1.00 0.00 N ATOM 0 H ARG A 13 -1.851 -3.306 8.393 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.653 -2.256 10.998 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.909 -1.244 9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.295 -0.727 8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.094 0.691 10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.025 -0.036 11.342 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.800 1.251 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.441 2.292 10.169 1.00 0.00 H new ATOM 0 HE ARG A 13 0.112 0.531 11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.678 2.543 8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.396 2.755 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.319 0.816 12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.320 1.783 10.956 1.00 0.00 H new ATOM 234 N PHE A 14 -4.537 -1.752 8.325 1.00 0.00 N ATOM 235 CA PHE A 14 -5.900 -1.541 7.882 1.00 0.00 C ATOM 236 C PHE A 14 -6.631 -2.859 7.649 1.00 0.00 C ATOM 237 O PHE A 14 -7.804 -2.997 7.995 1.00 0.00 O ATOM 238 CB PHE A 14 -5.871 -0.719 6.604 1.00 0.00 C ATOM 239 CG PHE A 14 -5.266 0.639 6.800 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.039 1.701 7.233 1.00 0.00 C ATOM 241 CD2 PHE A 14 -3.920 0.854 6.562 1.00 0.00 C ATOM 242 CE1 PHE A 14 -5.484 2.940 7.422 1.00 0.00 C ATOM 243 CE2 PHE A 14 -3.363 2.092 6.749 1.00 0.00 C ATOM 244 CZ PHE A 14 -4.147 3.134 7.180 1.00 0.00 C ATOM 0 H PHE A 14 -3.842 -1.690 7.581 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.445 -1.009 8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.305 -1.258 5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.887 -0.608 6.226 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.091 1.552 7.424 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.301 0.036 6.225 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.097 3.762 7.761 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.311 2.248 6.558 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.710 4.110 7.329 1.00 0.00 H new ATOM 254 N GLY A 15 -5.935 -3.825 7.058 1.00 0.00 N ATOM 255 CA GLY A 15 -6.543 -5.116 6.788 1.00 0.00 C ATOM 256 C GLY A 15 -6.604 -5.427 5.305 1.00 0.00 C ATOM 257 O GLY A 15 -7.000 -4.581 4.503 1.00 0.00 O ATOM 0 H GLY A 15 -4.963 -3.738 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.976 -5.895 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.551 -5.134 7.202 1.00 0.00 H new ATOM 261 N GLN A 16 -6.208 -6.643 4.940 1.00 0.00 N ATOM 262 CA GLN A 16 -6.214 -7.065 3.541 1.00 0.00 C ATOM 263 C GLN A 16 -7.587 -6.854 2.906 1.00 0.00 C ATOM 264 O GLN A 16 -7.693 -6.645 1.696 1.00 0.00 O ATOM 265 CB GLN A 16 -5.812 -8.536 3.432 1.00 0.00 C ATOM 266 CG GLN A 16 -6.761 -9.482 4.150 1.00 0.00 C ATOM 267 CD GLN A 16 -6.211 -10.891 4.254 1.00 0.00 C ATOM 268 OE1 GLN A 16 -6.134 -11.462 5.342 1.00 0.00 O ATOM 269 NE2 GLN A 16 -5.826 -11.460 3.117 1.00 0.00 N ATOM 0 H GLN A 16 -5.879 -7.354 5.593 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.491 -6.452 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.764 -8.814 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.809 -8.661 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.962 -9.099 5.151 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.714 -9.506 3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.908 -10.949 2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.449 -12.408 3.123 1.00 0.00 H new ATOM 278 N THR A 17 -8.631 -6.909 3.724 1.00 0.00 N ATOM 279 CA THR A 17 -9.994 -6.723 3.237 1.00 0.00 C ATOM 280 C THR A 17 -10.150 -5.368 2.553 1.00 0.00 C ATOM 281 O THR A 17 -10.380 -5.293 1.348 1.00 0.00 O ATOM 282 CB THR A 17 -10.990 -6.842 4.391 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.780 -8.042 5.114 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.430 -6.825 3.938 1.00 0.00 C ATOM 0 H THR A 17 -8.561 -7.081 4.727 1.00 0.00 H new ATOM 0 HA THR A 17 -10.200 -7.504 2.505 1.00 0.00 H new ATOM 0 HB THR A 17 -10.812 -5.969 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.426 -8.098 5.849 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.085 -6.913 4.805 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.637 -5.889 3.420 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.609 -7.661 3.262 1.00 0.00 H new ATOM 292 N LYS A 18 -10.010 -4.300 3.332 1.00 0.00 N ATOM 293 CA LYS A 18 -10.140 -2.946 2.806 1.00 0.00 C ATOM 294 C LYS A 18 -9.111 -2.683 1.713 1.00 0.00 C ATOM 295 O LYS A 18 -9.326 -1.850 0.831 1.00 0.00 O ATOM 296 CB LYS A 18 -9.979 -1.924 3.933 1.00 0.00 C ATOM 297 CG LYS A 18 -10.320 -0.502 3.521 1.00 0.00 C ATOM 298 CD LYS A 18 -9.425 0.510 4.211 1.00 0.00 C ATOM 299 CE LYS A 18 -10.090 1.100 5.444 1.00 0.00 C ATOM 300 NZ LYS A 18 -10.450 0.049 6.436 1.00 0.00 N ATOM 0 H LYS A 18 -9.806 -4.346 4.330 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.134 -2.846 2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.617 -2.214 4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.950 -1.952 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.218 -0.401 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.362 -0.292 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.488 0.032 4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.175 1.310 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.419 1.823 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.988 1.643 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.791 0.498 7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.198 -0.557 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.612 -0.529 6.649 1.00 0.00 H new ATOM 314 N THR A 19 -7.989 -3.395 1.776 1.00 0.00 N ATOM 315 CA THR A 19 -6.925 -3.233 0.791 1.00 0.00 C ATOM 316 C THR A 19 -7.418 -3.568 -0.614 1.00 0.00 C ATOM 317 O THR A 19 -7.101 -2.868 -1.575 1.00 0.00 O ATOM 318 CB THR A 19 -5.731 -4.123 1.146 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.550 -4.185 2.550 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.431 -3.652 0.534 1.00 0.00 C ATOM 0 H THR A 19 -7.794 -4.089 2.498 1.00 0.00 H new ATOM 0 HA THR A 19 -6.613 -2.189 0.807 1.00 0.00 H new ATOM 0 HB THR A 19 -5.971 -5.104 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.343 -4.584 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.626 -4.327 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.522 -3.643 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.206 -2.646 0.887 1.00 0.00 H new ATOM 328 N ALA A 20 -8.188 -4.645 -0.725 1.00 0.00 N ATOM 329 CA ALA A 20 -8.718 -5.075 -2.015 1.00 0.00 C ATOM 330 C ALA A 20 -10.060 -4.418 -2.313 1.00 0.00 C ATOM 331 O ALA A 20 -10.450 -4.277 -3.473 1.00 0.00 O ATOM 332 CB ALA A 20 -8.852 -6.591 -2.047 1.00 0.00 C ATOM 0 H ALA A 20 -8.459 -5.236 0.061 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.016 -4.762 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.248 -6.901 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.874 -7.046 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.530 -6.913 -1.257 1.00 0.00 H new ATOM 338 N LYS A 21 -10.770 -4.022 -1.263 1.00 0.00 N ATOM 339 CA LYS A 21 -12.070 -3.388 -1.419 1.00 0.00 C ATOM 340 C LYS A 21 -11.930 -1.961 -1.941 1.00 0.00 C ATOM 341 O LYS A 21 -12.570 -1.588 -2.930 1.00 0.00 O ATOM 342 CB LYS A 21 -12.830 -3.386 -0.085 1.00 0.00 C ATOM 343 CG LYS A 21 -14.260 -3.891 -0.194 1.00 0.00 C ATOM 344 CD LYS A 21 -15.260 -2.801 0.139 1.00 0.00 C ATOM 345 CE LYS A 21 -15.880 -2.205 -1.119 1.00 0.00 C ATOM 346 NZ LYS A 21 -16.960 -3.061 -1.667 1.00 0.00 N ATOM 0 H LYS A 21 -10.466 -4.130 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.636 -3.965 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.290 -4.005 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.842 -2.372 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.442 -4.257 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.402 -4.735 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.046 -3.209 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.765 -2.015 0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.281 -1.217 -0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.106 -2.069 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.354 -2.618 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.573 -3.996 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.711 -3.170 -0.956 1.00 0.00 H new ATOM 360 N ASP A 22 -11.110 -1.165 -1.271 1.00 0.00 N ATOM 361 CA ASP A 22 -10.890 0.221 -1.665 1.00 0.00 C ATOM 362 C ASP A 22 -10.250 0.307 -3.047 1.00 0.00 C ATOM 363 O ASP A 22 -10.560 1.210 -3.827 1.00 0.00 O ATOM 364 CB ASP A 22 -10.020 0.934 -0.634 1.00 0.00 C ATOM 365 CG ASP A 22 -10.830 1.775 0.330 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.910 2.267 -0.071 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.390 1.944 1.487 1.00 0.00 O ATOM 0 H ASP A 22 -10.583 -1.456 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.860 0.715 -1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.448 0.195 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.300 1.570 -1.149 1.00 0.00 H new ATOM 372 N LEU A 23 -9.366 -0.633 -3.345 1.00 0.00 N ATOM 373 CA LEU A 23 -8.685 -0.655 -4.635 1.00 0.00 C ATOM 374 C LEU A 23 -9.577 -1.260 -5.714 1.00 0.00 C ATOM 375 O LEU A 23 -9.688 -0.722 -6.815 1.00 0.00 O ATOM 376 CB LEU A 23 -7.376 -1.440 -4.533 1.00 0.00 C ATOM 377 CG LEU A 23 -6.122 -0.645 -4.910 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.032 -0.844 -3.870 1.00 0.00 C ATOM 379 CD2 LEU A 23 -5.625 -1.052 -6.290 1.00 0.00 C ATOM 0 H LEU A 23 -9.102 -1.390 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.460 0.374 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.265 -1.804 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.442 -2.316 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.382 0.413 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.149 -0.272 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.389 -0.502 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.775 -1.902 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.734 -0.476 -6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.383 -2.115 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.402 -0.857 -7.029 1.00 0.00 H new ATOM 391 N GLY A 24 -10.210 -2.383 -5.391 1.00 0.00 N ATOM 392 CA GLY A 24 -11.080 -3.042 -6.345 1.00 0.00 C ATOM 393 C GLY A 24 -10.450 -4.281 -6.948 1.00 0.00 C ATOM 394 O GLY A 24 -10.640 -4.571 -8.129 1.00 0.00 O ATOM 0 H GLY A 24 -10.136 -2.848 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.013 -3.316 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.334 -2.343 -7.142 1.00 0.00 H new ATOM 398 N VAL A 25 -9.697 -5.013 -6.134 1.00 0.00 N ATOM 399 CA VAL A 25 -9.034 -6.226 -6.592 1.00 0.00 C ATOM 400 C VAL A 25 -9.422 -7.423 -5.730 1.00 0.00 C ATOM 401 O VAL A 25 -10.190 -7.293 -4.784 1.00 0.00 O ATOM 402 CB VAL A 25 -7.502 -6.072 -6.574 1.00 0.00 C ATOM 403 CG1 VAL A 25 -7.039 -5.188 -7.721 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.039 -5.509 -5.239 1.00 0.00 C ATOM 0 H VAL A 25 -9.531 -4.786 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.362 -6.396 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.055 -7.058 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.954 -5.092 -7.691 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.337 -5.636 -8.669 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.494 -4.202 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.954 -5.407 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.495 -4.532 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.336 -6.184 -4.437 1.00 0.00 H new ATOM 414 N GLN A 26 -8.874 -8.587 -6.062 1.00 0.00 N ATOM 415 CA GLN A 26 -9.161 -9.807 -5.317 1.00 0.00 C ATOM 416 C GLN A 26 -8.196 -9.966 -4.148 1.00 0.00 C ATOM 417 O GLN A 26 -6.986 -9.793 -4.298 1.00 0.00 O ATOM 418 CB GLN A 26 -9.070 -11.025 -6.237 1.00 0.00 C ATOM 419 CG GLN A 26 -10.220 -11.132 -7.221 1.00 0.00 C ATOM 420 CD GLN A 26 -10.300 -12.499 -7.874 1.00 0.00 C ATOM 421 OE1 GLN A 26 -9.457 -12.865 -8.685 1.00 0.00 O ATOM 422 NE2 GLN A 26 -11.330 -13.259 -7.522 1.00 0.00 N ATOM 0 H GLN A 26 -8.229 -8.711 -6.842 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.175 -9.734 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.132 -10.982 -6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.039 -11.928 -5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.157 -10.924 -6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.106 -10.370 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.009 -12.915 -6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.442 -14.187 -7.931 1.00 0.00 H new ATOM 431 N GLN A 27 -8.741 -10.292 -2.982 1.00 0.00 N ATOM 432 CA GLN A 27 -7.931 -10.475 -1.781 1.00 0.00 C ATOM 433 C GLN A 27 -6.812 -11.485 -2.018 1.00 0.00 C ATOM 434 O GLN A 27 -5.786 -11.461 -1.340 1.00 0.00 O ATOM 435 CB GLN A 27 -8.808 -10.933 -0.614 1.00 0.00 C ATOM 436 CG GLN A 27 -9.775 -9.867 -0.125 1.00 0.00 C ATOM 437 CD GLN A 27 -10.930 -10.447 0.667 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.020 -11.662 0.843 1.00 0.00 O ATOM 439 NE2 GLN A 27 -11.810 -9.580 1.150 1.00 0.00 N ATOM 0 H GLN A 27 -9.741 -10.435 -2.841 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.478 -9.515 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.374 -11.813 -0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.167 -11.238 0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.237 -9.151 0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.166 -9.316 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.691 -8.582 0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.606 -9.911 1.695 1.00 0.00 H new ATOM 448 N SER A 28 -7.020 -12.370 -2.985 1.00 0.00 N ATOM 449 CA SER A 28 -6.031 -13.387 -3.317 1.00 0.00 C ATOM 450 C SER A 28 -4.757 -12.749 -3.860 1.00 0.00 C ATOM 451 O SER A 28 -3.659 -13.277 -3.679 1.00 0.00 O ATOM 452 CB SER A 28 -6.602 -14.368 -4.342 1.00 0.00 C ATOM 453 OG SER A 28 -6.037 -15.657 -4.185 1.00 0.00 O ATOM 0 H SER A 28 -7.866 -12.404 -3.554 1.00 0.00 H new ATOM 0 HA SER A 28 -5.783 -13.930 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.685 -14.426 -4.230 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.405 -14.002 -5.349 1.00 0.00 H new ATOM 0 HG SER A 28 -6.420 -16.265 -4.851 1.00 0.00 H new ATOM 459 N ALA A 29 -4.909 -11.609 -4.529 1.00 0.00 N ATOM 460 CA ALA A 29 -3.772 -10.900 -5.100 1.00 0.00 C ATOM 461 C ALA A 29 -2.893 -10.301 -4.007 1.00 0.00 C ATOM 462 O ALA A 29 -1.668 -10.270 -4.130 1.00 0.00 O ATOM 463 CB ALA A 29 -4.252 -9.813 -6.051 1.00 0.00 C ATOM 0 H ALA A 29 -5.810 -11.158 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.171 -11.617 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.392 -9.291 -6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.831 -10.264 -6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.877 -9.104 -5.508 1.00 0.00 H new ATOM 469 N ILE A 30 -3.524 -9.831 -2.937 1.00 0.00 N ATOM 470 CA ILE A 30 -2.792 -9.240 -1.822 1.00 0.00 C ATOM 471 C ILE A 30 -1.941 -10.298 -1.125 1.00 0.00 C ATOM 472 O ILE A 30 -0.870 -9.999 -0.597 1.00 0.00 O ATOM 473 CB ILE A 30 -3.751 -8.586 -0.799 1.00 0.00 C ATOM 474 CG1 ILE A 30 -4.369 -7.315 -1.386 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.025 -8.266 0.502 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.221 -7.559 -2.611 1.00 0.00 C ATOM 0 H ILE A 30 -4.537 -9.847 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.144 -8.464 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.548 -9.297 -0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.978 -6.832 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.570 -6.619 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.721 -7.807 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.628 -9.185 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.205 -7.576 0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.624 -6.611 -2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.612 -8.013 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.042 -8.229 -2.356 1.00 0.00 H new ATOM 488 N ASN A 31 -2.424 -11.536 -1.130 1.00 0.00 N ATOM 489 CA ASN A 31 -1.708 -12.638 -0.505 1.00 0.00 C ATOM 490 C ASN A 31 -0.440 -12.970 -1.281 1.00 0.00 C ATOM 491 O ASN A 31 0.621 -13.180 -0.694 1.00 0.00 O ATOM 492 CB ASN A 31 -2.606 -13.874 -0.420 1.00 0.00 C ATOM 493 CG ASN A 31 -2.291 -14.735 0.789 1.00 0.00 C ATOM 494 OD1 ASN A 31 -1.690 -14.270 1.756 1.00 0.00 O ATOM 495 ND2 ASN A 31 -2.697 -15.999 0.738 1.00 0.00 N ATOM 0 H ASN A 31 -3.310 -11.800 -1.561 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.427 -12.332 0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.649 -13.560 -0.377 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.489 -14.468 -1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.513 -16.626 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.193 -16.343 -0.085 1.00 0.00 H new ATOM 502 N LYS A 32 -0.556 -13.015 -2.606 1.00 0.00 N ATOM 503 CA LYS A 32 0.580 -13.323 -3.462 1.00 0.00 C ATOM 504 C LYS A 32 1.576 -12.170 -3.491 1.00 0.00 C ATOM 505 O LYS A 32 2.766 -12.369 -3.736 1.00 0.00 O ATOM 506 CB LYS A 32 0.107 -13.633 -4.884 1.00 0.00 C ATOM 507 CG LYS A 32 -0.890 -14.778 -4.957 1.00 0.00 C ATOM 508 CD LYS A 32 -0.189 -16.120 -5.086 1.00 0.00 C ATOM 509 CE LYS A 32 0.465 -16.277 -6.451 1.00 0.00 C ATOM 510 NZ LYS A 32 0.837 -17.692 -6.730 1.00 0.00 N ATOM 0 H LYS A 32 -1.427 -12.842 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 32 1.079 -14.200 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.348 -12.739 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.972 -13.876 -5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.513 -14.777 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.554 -14.630 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.567 -16.214 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.908 -16.924 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.217 -15.922 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.356 -15.651 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.279 -17.756 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.508 -18.023 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.016 -18.286 -6.708 1.00 0.00 H new ATOM 524 N TRP A 33 1.080 -10.966 -3.246 1.00 0.00 N ATOM 525 CA TRP A 33 1.908 -9.779 -3.247 1.00 0.00 C ATOM 526 C TRP A 33 2.902 -9.794 -2.091 1.00 0.00 C ATOM 527 O TRP A 33 4.098 -9.574 -2.284 1.00 0.00 O ATOM 528 CB TRP A 33 0.999 -8.562 -3.156 1.00 0.00 C ATOM 529 CG TRP A 33 0.251 -8.295 -4.413 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.479 -8.865 -5.613 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.856 -7.414 -4.583 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.403 -8.379 -6.547 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.239 -7.483 -5.933 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.553 -6.571 -3.724 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.293 -6.735 -6.447 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.603 -5.826 -4.229 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.965 -5.911 -5.582 1.00 0.00 C ATOM 0 H TRP A 33 0.096 -10.789 -3.042 1.00 0.00 H new ATOM 0 HA TRP A 33 2.490 -9.745 -4.168 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.289 -8.707 -2.342 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.598 -7.687 -2.904 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.246 -9.599 -5.812 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.431 -8.641 -7.532 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.279 -6.499 -2.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.571 -6.801 -7.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -3.153 -5.169 -3.572 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.788 -5.316 -5.949 1.00 0.00 H new ATOM 548 N ILE A 34 2.400 -10.054 -0.888 1.00 0.00 N ATOM 549 CA ILE A 34 3.246 -10.098 0.300 1.00 0.00 C ATOM 550 C ILE A 34 3.955 -11.444 0.424 1.00 0.00 C ATOM 551 O ILE A 34 5.016 -11.542 1.041 1.00 0.00 O ATOM 552 CB ILE A 34 2.429 -9.844 1.582 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.584 -8.577 1.435 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.353 -9.731 2.786 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.291 -8.620 2.220 1.00 0.00 C ATOM 0 H ILE A 34 1.413 -10.237 -0.710 1.00 0.00 H new ATOM 0 HA ILE A 34 3.988 -9.308 0.186 1.00 0.00 H new ATOM 0 HB ILE A 34 1.759 -10.689 1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.170 -7.719 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.355 -8.423 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.761 -9.552 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.915 -10.658 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.046 -8.903 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.257 -7.690 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.315 -9.458 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.513 -8.743 3.280 1.00 0.00 H new ATOM 567 N HIS A 35 3.364 -12.479 -0.165 1.00 0.00 N ATOM 568 CA HIS A 35 3.938 -13.818 -0.118 1.00 0.00 C ATOM 569 C HIS A 35 5.341 -13.834 -0.713 1.00 0.00 C ATOM 570 O HIS A 35 6.179 -14.655 -0.338 1.00 0.00 O ATOM 571 CB HIS A 35 3.041 -14.801 -0.871 1.00 0.00 C ATOM 572 CG HIS A 35 2.194 -15.652 0.024 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.968 -15.358 1.353 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.516 -16.796 -0.225 1.00 0.00 C ATOM 575 CE1 HIS A 35 1.189 -16.286 1.880 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.900 -17.168 0.943 1.00 0.00 N ATOM 0 H HIS A 35 2.486 -12.415 -0.681 1.00 0.00 H new ATOM 0 HA HIS A 35 4.006 -14.121 0.927 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.393 -14.243 -1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.664 -15.448 -1.489 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.469 -17.319 -1.168 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.847 -16.317 2.904 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.313 -17.993 1.067 1.00 0.00 H new ATOM 585 N ALA A 36 5.588 -12.925 -1.645 1.00 0.00 N ATOM 586 CA ALA A 36 6.886 -12.830 -2.301 1.00 0.00 C ATOM 587 C ALA A 36 7.617 -11.547 -1.912 1.00 0.00 C ATOM 588 O ALA A 36 8.831 -11.439 -2.080 1.00 0.00 O ATOM 589 CB ALA A 36 6.719 -12.909 -3.809 1.00 0.00 C ATOM 0 H ALA A 36 4.904 -12.240 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 36 7.493 -13.671 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.696 -12.837 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.254 -13.859 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.087 -12.088 -4.149 1.00 0.00 H new ATOM 595 N GLY A 37 6.872 -10.578 -1.391 1.00 0.00 N ATOM 596 CA GLY A 37 7.471 -9.320 -0.989 1.00 0.00 C ATOM 597 C GLY A 37 7.442 -8.284 -2.095 1.00 0.00 C ATOM 598 O GLY A 37 8.483 -7.755 -2.486 1.00 0.00 O ATOM 0 H GLY A 37 5.865 -10.642 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.943 -8.932 -0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.503 -9.493 -0.685 1.00 0.00 H new ATOM 602 N ARG A 38 6.248 -7.995 -2.599 1.00 0.00 N ATOM 603 CA ARG A 38 6.084 -7.018 -3.668 1.00 0.00 C ATOM 604 C ARG A 38 6.193 -5.595 -3.125 1.00 0.00 C ATOM 605 O ARG A 38 5.322 -5.136 -2.386 1.00 0.00 O ATOM 606 CB ARG A 38 4.734 -7.213 -4.362 1.00 0.00 C ATOM 607 CG ARG A 38 4.852 -7.693 -5.799 1.00 0.00 C ATOM 608 CD ARG A 38 3.496 -8.078 -6.370 1.00 0.00 C ATOM 609 NE ARG A 38 3.344 -7.646 -7.757 1.00 0.00 N ATOM 610 CZ ARG A 38 3.875 -8.287 -8.795 1.00 0.00 C ATOM 611 NH1 ARG A 38 4.587 -9.391 -8.608 1.00 0.00 N ATOM 612 NH2 ARG A 38 3.691 -7.824 -10.024 1.00 0.00 N ATOM 0 H ARG A 38 5.378 -8.424 -2.284 1.00 0.00 H new ATOM 0 HA ARG A 38 6.882 -7.171 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.144 -7.933 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.187 -6.270 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.296 -6.908 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.524 -8.550 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.372 -9.159 -6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.707 -7.633 -5.763 1.00 0.00 H new ATOM 0 HE ARG A 38 2.799 -6.804 -7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.730 -9.752 -7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.992 -9.878 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.143 -6.977 -10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.098 -8.315 -10.820 1.00 0.00 H new ATOM 626 N LYS A 39 7.264 -4.904 -3.497 1.00 0.00 N ATOM 627 CA LYS A 39 7.485 -3.536 -3.046 1.00 0.00 C ATOM 628 C LYS A 39 6.384 -2.609 -3.557 1.00 0.00 C ATOM 629 O LYS A 39 6.542 -1.949 -4.584 1.00 0.00 O ATOM 630 CB LYS A 39 8.851 -3.033 -3.521 1.00 0.00 C ATOM 631 CG LYS A 39 9.174 -1.622 -3.062 1.00 0.00 C ATOM 632 CD LYS A 39 9.234 -1.527 -1.544 1.00 0.00 C ATOM 633 CE LYS A 39 10.641 -1.217 -1.059 1.00 0.00 C ATOM 634 NZ LYS A 39 10.643 -0.683 0.330 1.00 0.00 N ATOM 0 H LYS A 39 7.993 -5.269 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 39 7.463 -3.532 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.624 -3.710 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.883 -3.068 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.129 -1.311 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.419 -0.934 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.550 -0.751 -1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.896 -2.466 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.247 -2.122 -1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.104 -0.491 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.478 -0.078 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.780 -0.124 0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.672 -1.473 1.006 1.00 0.00 H new ATOM 648 N ILE A 40 5.271 -2.568 -2.832 1.00 0.00 N ATOM 649 CA ILE A 40 4.142 -1.725 -3.211 1.00 0.00 C ATOM 650 C ILE A 40 3.799 -0.738 -2.101 1.00 0.00 C ATOM 651 O ILE A 40 4.180 -0.930 -0.946 1.00 0.00 O ATOM 652 CB ILE A 40 2.891 -2.571 -3.523 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.237 -3.703 -4.489 1.00 0.00 C ATOM 654 CG2 ILE A 40 1.786 -1.698 -4.097 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.054 -4.574 -4.843 1.00 0.00 C ATOM 0 H ILE A 40 5.126 -3.108 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 40 4.441 -1.179 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 40 2.532 -3.011 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.651 -3.277 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.016 -4.324 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.911 -2.312 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.520 -0.926 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.134 -1.229 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.372 -5.357 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.653 -5.029 -3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.283 -3.966 -5.316 1.00 0.00 H new ATOM 667 N PHE A 41 3.070 0.316 -2.454 1.00 0.00 N ATOM 668 CA PHE A 41 2.669 1.325 -1.482 1.00 0.00 C ATOM 669 C PHE A 41 1.239 1.787 -1.732 1.00 0.00 C ATOM 670 O PHE A 41 0.918 2.300 -2.804 1.00 0.00 O ATOM 671 CB PHE A 41 3.614 2.526 -1.523 1.00 0.00 C ATOM 672 CG PHE A 41 5.042 2.179 -1.214 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.897 1.751 -2.215 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.530 2.283 0.080 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.213 1.433 -1.935 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.844 1.966 0.367 1.00 0.00 C ATOM 677 CZ PHE A 41 7.686 1.540 -0.642 1.00 0.00 C ATOM 0 H PHE A 41 2.746 0.493 -3.405 1.00 0.00 H new ATOM 0 HA PHE A 41 2.721 0.868 -0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.566 2.982 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.268 3.274 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.531 1.664 -3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.876 2.615 0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.870 1.102 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.212 2.051 1.379 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.713 1.291 -0.420 1.00 0.00 H new ATOM 687 N LEU A 42 0.381 1.590 -0.738 1.00 0.00 N ATOM 688 CA LEU A 42 -1.017 1.974 -0.844 1.00 0.00 C ATOM 689 C LEU A 42 -1.214 3.465 -0.603 1.00 0.00 C ATOM 690 O LEU A 42 -1.151 3.938 0.530 1.00 0.00 O ATOM 691 CB LEU A 42 -1.847 1.171 0.155 1.00 0.00 C ATOM 692 CG LEU A 42 -2.357 -0.161 -0.388 1.00 0.00 C ATOM 693 CD1 LEU A 42 -1.648 -1.324 0.289 1.00 0.00 C ATOM 694 CD2 LEU A 42 -3.867 -0.277 -0.226 1.00 0.00 C ATOM 0 H LEU A 42 0.633 1.164 0.154 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.348 1.757 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.244 0.982 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.699 1.773 0.470 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.132 -0.199 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.026 -2.264 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.576 -1.255 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.833 -1.288 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.203 -1.236 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.126 -0.209 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.355 0.531 -0.771 1.00 0.00 H new ATOM 706 N THR A 43 -1.474 4.197 -1.682 1.00 0.00 N ATOM 707 CA THR A 43 -1.705 5.632 -1.594 1.00 0.00 C ATOM 708 C THR A 43 -3.197 5.911 -1.459 1.00 0.00 C ATOM 709 O THR A 43 -3.917 5.968 -2.456 1.00 0.00 O ATOM 710 CB THR A 43 -1.145 6.342 -2.828 1.00 0.00 C ATOM 711 OG1 THR A 43 0.067 5.740 -3.248 1.00 0.00 O ATOM 712 CG2 THR A 43 -0.873 7.813 -2.598 1.00 0.00 C ATOM 0 H THR A 43 -1.530 3.818 -2.627 1.00 0.00 H new ATOM 0 HA THR A 43 -1.191 6.015 -0.713 1.00 0.00 H new ATOM 0 HB THR A 43 -1.917 6.246 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.005 5.484 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.478 8.257 -3.512 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.800 8.316 -2.322 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.145 7.927 -1.795 1.00 0.00 H new ATOM 720 N ILE A 44 -3.655 6.068 -0.221 1.00 0.00 N ATOM 721 CA ILE A 44 -5.067 6.320 0.049 1.00 0.00 C ATOM 722 C ILE A 44 -5.422 7.780 -0.195 1.00 0.00 C ATOM 723 O ILE A 44 -4.614 8.677 0.046 1.00 0.00 O ATOM 724 CB ILE A 44 -5.440 5.966 1.503 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.879 4.596 1.889 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.951 5.996 1.682 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.536 4.478 3.359 1.00 0.00 C ATOM 0 H ILE A 44 -3.068 6.025 0.612 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.630 5.683 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.997 6.711 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.608 3.828 1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.985 4.398 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.200 5.744 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.325 6.994 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.411 5.272 1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.144 3.481 3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.784 5.224 3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.433 4.644 3.956 1.00 0.00 H new ATOM 739 N ASN A 45 -6.640 8.012 -0.671 1.00 0.00 N ATOM 740 CA ASN A 45 -7.111 9.363 -0.945 1.00 0.00 C ATOM 741 C ASN A 45 -8.201 9.763 0.045 1.00 0.00 C ATOM 742 O ASN A 45 -8.918 8.910 0.571 1.00 0.00 O ATOM 743 CB ASN A 45 -7.642 9.463 -2.376 1.00 0.00 C ATOM 744 CG ASN A 45 -6.571 9.179 -3.411 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.403 9.520 -3.223 1.00 0.00 O ATOM 746 ND2 ASN A 45 -6.964 8.548 -4.512 1.00 0.00 N ATOM 0 H ASN A 45 -7.320 7.280 -0.875 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.270 10.047 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.464 8.759 -2.506 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.048 10.461 -2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.287 8.328 -5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.942 8.284 -4.627 1.00 0.00 H new ATOM 753 N ALA A 46 -8.325 11.062 0.293 1.00 0.00 N ATOM 754 CA ALA A 46 -9.330 11.571 1.218 1.00 0.00 C ATOM 755 C ALA A 46 -10.730 11.148 0.799 1.00 0.00 C ATOM 756 O ALA A 46 -11.650 11.135 1.614 1.00 0.00 O ATOM 757 CB ALA A 46 -9.240 13.088 1.311 1.00 0.00 C ATOM 0 H ALA A 46 -7.742 11.782 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.131 11.144 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.996 13.455 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.250 13.373 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.409 13.524 0.326 1.00 0.00 H new ATOM 763 N ASP A 47 -10.890 10.805 -0.476 1.00 0.00 N ATOM 764 CA ASP A 47 -12.170 10.389 -1.006 1.00 0.00 C ATOM 765 C ASP A 47 -12.470 8.934 -0.663 1.00 0.00 C ATOM 766 O ASP A 47 -13.620 8.510 -0.646 1.00 0.00 O ATOM 767 CB ASP A 47 -12.180 10.578 -2.519 1.00 0.00 C ATOM 768 CG ASP A 47 -11.000 9.907 -3.190 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.620 8.796 -2.763 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.450 10.496 -4.145 1.00 0.00 O ATOM 0 H ASP A 47 -10.135 10.810 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.945 11.006 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.106 10.173 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.169 11.643 -2.750 1.00 0.00 H new ATOM 775 N GLY A 48 -11.410 8.172 -0.398 1.00 0.00 N ATOM 776 CA GLY A 48 -11.580 6.770 -0.064 1.00 0.00 C ATOM 777 C GLY A 48 -11.010 5.854 -1.132 1.00 0.00 C ATOM 778 O GLY A 48 -11.420 4.696 -1.242 1.00 0.00 O ATOM 0 H GLY A 48 -10.444 8.499 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.092 6.563 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.640 6.556 0.068 1.00 0.00 H new ATOM 782 N SER A 49 -10.070 6.368 -1.919 1.00 0.00 N ATOM 783 CA SER A 49 -9.453 5.585 -2.978 1.00 0.00 C ATOM 784 C SER A 49 -7.973 5.381 -2.687 1.00 0.00 C ATOM 785 O SER A 49 -7.215 6.343 -2.567 1.00 0.00 O ATOM 786 CB SER A 49 -9.635 6.267 -4.330 1.00 0.00 C ATOM 787 OG SER A 49 -10.370 5.450 -5.219 1.00 0.00 O ATOM 0 H SER A 49 -9.721 7.323 -1.842 1.00 0.00 H new ATOM 0 HA SER A 49 -9.943 4.612 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.151 7.218 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.660 6.492 -4.761 1.00 0.00 H new ATOM 0 HG SER A 49 -10.474 5.911 -6.077 1.00 0.00 H new ATOM 793 N VAL A 50 -7.572 4.124 -2.565 1.00 0.00 N ATOM 794 CA VAL A 50 -6.185 3.791 -2.276 1.00 0.00 C ATOM 795 C VAL A 50 -5.645 2.762 -3.262 1.00 0.00 C ATOM 796 O VAL A 50 -6.017 1.593 -3.219 1.00 0.00 O ATOM 797 CB VAL A 50 -6.033 3.274 -0.835 1.00 0.00 C ATOM 798 CG1 VAL A 50 -6.967 2.110 -0.577 1.00 0.00 C ATOM 799 CG2 VAL A 50 -4.591 2.892 -0.548 1.00 0.00 C ATOM 0 H VAL A 50 -8.188 3.317 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.601 4.705 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.308 4.080 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.841 1.762 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.998 2.431 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.736 1.298 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.508 2.529 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.278 2.108 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.951 3.765 -0.677 1.00 0.00 H new ATOM 809 N TYR A 51 -4.765 3.218 -4.149 1.00 0.00 N ATOM 810 CA TYR A 51 -4.167 2.351 -5.156 1.00 0.00 C ATOM 811 C TYR A 51 -2.813 1.825 -4.692 1.00 0.00 C ATOM 812 O TYR A 51 -2.182 2.400 -3.806 1.00 0.00 O ATOM 813 CB TYR A 51 -4.005 3.107 -6.476 1.00 0.00 C ATOM 814 CG TYR A 51 -3.094 4.311 -6.375 1.00 0.00 C ATOM 815 CD1 TYR A 51 -1.722 4.156 -6.223 1.00 0.00 C ATOM 816 CD2 TYR A 51 -3.607 5.600 -6.431 1.00 0.00 C ATOM 817 CE1 TYR A 51 -0.886 5.253 -6.129 1.00 0.00 C ATOM 818 CE2 TYR A 51 -2.776 6.702 -6.339 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.418 6.524 -6.187 1.00 0.00 C ATOM 820 OH TYR A 51 -0.589 7.618 -6.094 1.00 0.00 O ATOM 0 H TYR A 51 -4.450 4.187 -4.189 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.833 1.501 -5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.611 2.425 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.986 3.432 -6.822 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.302 3.162 -6.178 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.671 5.744 -6.548 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.179 5.115 -6.011 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.190 7.698 -6.386 1.00 0.00 H new ATOM 0 HH TYR A 51 0.287 7.398 -6.475 1.00 0.00 H new ATOM 830 N ALA A 52 -2.372 0.731 -5.302 1.00 0.00 N ATOM 831 CA ALA A 52 -1.092 0.126 -4.958 1.00 0.00 C ATOM 832 C ALA A 52 -0.067 0.348 -6.066 1.00 0.00 C ATOM 833 O ALA A 52 -0.170 -0.232 -7.148 1.00 0.00 O ATOM 834 CB ALA A 52 -1.268 -1.362 -4.689 1.00 0.00 C ATOM 0 H ALA A 52 -2.883 0.245 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.721 0.606 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.304 -1.802 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.962 -1.502 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.664 -1.849 -5.580 1.00 0.00 H new ATOM 840 N GLU A 53 0.919 1.194 -5.790 1.00 0.00 N ATOM 841 CA GLU A 53 1.962 1.495 -6.767 1.00 0.00 C ATOM 842 C GLU A 53 3.155 0.560 -6.600 1.00 0.00 C ATOM 843 O GLU A 53 3.720 0.446 -5.511 1.00 0.00 O ATOM 844 CB GLU A 53 2.411 2.952 -6.632 1.00 0.00 C ATOM 845 CG GLU A 53 1.873 3.856 -7.727 1.00 0.00 C ATOM 846 CD GLU A 53 2.575 5.199 -7.773 1.00 0.00 C ATOM 847 OE1 GLU A 53 3.754 5.239 -8.184 1.00 0.00 O ATOM 848 OE2 GLU A 53 1.946 6.212 -7.399 1.00 0.00 O ATOM 0 H GLU A 53 1.019 1.683 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 53 1.546 1.343 -7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.088 3.335 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.500 2.991 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.985 3.359 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.806 4.013 -7.571 1.00 0.00 H new ATOM 855 N GLU A 54 3.538 -0.102 -7.687 1.00 0.00 N ATOM 856 CA GLU A 54 4.666 -1.025 -7.663 1.00 0.00 C ATOM 857 C GLU A 54 5.981 -0.279 -7.864 1.00 0.00 C ATOM 858 O GLU A 54 6.135 0.480 -8.820 1.00 0.00 O ATOM 859 CB GLU A 54 4.503 -2.093 -8.746 1.00 0.00 C ATOM 860 CG GLU A 54 5.305 -3.357 -8.481 1.00 0.00 C ATOM 861 CD GLU A 54 4.427 -4.576 -8.280 1.00 0.00 C ATOM 862 OE1 GLU A 54 4.040 -5.203 -9.288 1.00 0.00 O ATOM 863 OE2 GLU A 54 4.124 -4.903 -7.112 1.00 0.00 O ATOM 0 H GLU A 54 3.083 -0.016 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 54 4.687 -1.509 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.448 -2.354 -8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.807 -1.675 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.981 -3.535 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.924 -3.211 -7.596 1.00 0.00 H new ATOM 870 N VAL A 55 6.925 -0.496 -6.955 1.00 0.00 N ATOM 871 CA VAL A 55 8.226 0.158 -7.032 1.00 0.00 C ATOM 872 C VAL A 55 9.350 -0.863 -7.164 1.00 0.00 C ATOM 873 O VAL A 55 9.243 -1.987 -6.674 1.00 0.00 O ATOM 874 CB VAL A 55 8.488 1.034 -5.794 1.00 0.00 C ATOM 875 CG1 VAL A 55 9.753 1.857 -5.980 1.00 0.00 C ATOM 876 CG2 VAL A 55 7.294 1.935 -5.514 1.00 0.00 C ATOM 0 H VAL A 55 6.814 -1.120 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 55 8.208 0.791 -7.920 1.00 0.00 H new ATOM 0 HB VAL A 55 8.630 0.380 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.922 2.470 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.603 1.190 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.643 2.502 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.498 2.547 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.117 2.582 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.411 1.323 -5.333 1.00 0.00 H new ATOM 886 N LYS A 56 10.429 -0.461 -7.828 1.00 0.00 N ATOM 887 CA LYS A 56 11.577 -1.338 -8.025 1.00 0.00 C ATOM 888 C LYS A 56 12.739 -0.915 -7.126 1.00 0.00 C ATOM 889 O LYS A 56 13.002 0.275 -6.962 1.00 0.00 O ATOM 890 CB LYS A 56 12.016 -1.313 -9.491 1.00 0.00 C ATOM 891 CG LYS A 56 12.812 -2.539 -9.909 1.00 0.00 C ATOM 892 CD LYS A 56 13.294 -2.426 -11.346 1.00 0.00 C ATOM 893 CE LYS A 56 14.482 -3.339 -11.610 1.00 0.00 C ATOM 894 NZ LYS A 56 15.777 -2.674 -11.298 1.00 0.00 N ATOM 0 H LYS A 56 10.532 0.467 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 56 11.283 -2.353 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.133 -1.230 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.619 -0.422 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.668 -2.662 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.194 -3.430 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.480 -2.681 -12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.573 -1.394 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.385 -4.243 -11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.476 -3.649 -12.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.560 -3.331 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.883 -1.825 -11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.794 -2.401 -10.295 1.00 0.00 H new ATOM 908 N PRO A 57 13.455 -1.887 -6.531 1.00 0.00 N ATOM 909 CA PRO A 57 14.592 -1.602 -5.652 1.00 0.00 C ATOM 910 C PRO A 57 15.625 -0.700 -6.322 1.00 0.00 C ATOM 911 O PRO A 57 15.742 -0.678 -7.547 1.00 0.00 O ATOM 912 CB PRO A 57 15.194 -2.985 -5.361 1.00 0.00 C ATOM 913 CG PRO A 57 14.570 -3.910 -6.353 1.00 0.00 C ATOM 914 CD PRO A 57 13.224 -3.331 -6.668 1.00 0.00 C ATOM 0 HA PRO A 57 14.282 -1.069 -4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.279 -2.971 -5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.977 -3.300 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.181 -3.988 -7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.476 -4.916 -5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.894 -3.595 -7.673 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.459 -3.686 -5.978 1.00 0.00 H new ATOM 922 N ASP A 58 16.371 0.042 -5.509 1.00 0.00 N ATOM 923 CA ASP A 58 17.395 0.947 -6.020 1.00 0.00 C ATOM 924 C ASP A 58 16.821 1.879 -7.087 1.00 0.00 C ATOM 925 O ASP A 58 17.205 1.814 -8.255 1.00 0.00 O ATOM 926 CB ASP A 58 18.563 0.140 -6.588 1.00 0.00 C ATOM 927 CG ASP A 58 19.615 1.015 -7.245 1.00 0.00 C ATOM 928 OD1 ASP A 58 20.083 1.973 -6.592 1.00 0.00 O ATOM 929 OD2 ASP A 58 19.972 0.741 -8.410 1.00 0.00 O ATOM 0 H ASP A 58 16.285 0.034 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 58 17.754 1.564 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.025 -0.436 -5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.184 -0.576 -7.318 1.00 0.00 H new ATOM 934 N PRO A 59 15.884 2.762 -6.697 1.00 0.00 N ATOM 935 CA PRO A 59 15.256 3.707 -7.627 1.00 0.00 C ATOM 936 C PRO A 59 16.217 4.803 -8.078 1.00 0.00 C ATOM 937 O PRO A 59 16.293 5.867 -7.463 1.00 0.00 O ATOM 938 CB PRO A 59 14.113 4.306 -6.805 1.00 0.00 C ATOM 939 CG PRO A 59 14.556 4.173 -5.389 1.00 0.00 C ATOM 940 CD PRO A 59 15.364 2.906 -5.325 1.00 0.00 C ATOM 0 HA PRO A 59 14.930 3.219 -8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.939 5.349 -7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.178 3.773 -6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.153 5.032 -5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.700 4.125 -4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.170 2.980 -4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.751 2.053 -5.036 1.00 0.00 H new ATOM 948 N SER A 60 16.946 4.535 -9.157 1.00 0.00 N ATOM 949 CA SER A 60 17.900 5.499 -9.692 1.00 0.00 C ATOM 950 C SER A 60 18.428 5.046 -11.049 1.00 0.00 C ATOM 951 O SER A 60 19.542 4.535 -11.153 1.00 0.00 O ATOM 952 CB SER A 60 19.062 5.695 -8.716 1.00 0.00 C ATOM 953 OG SER A 60 19.319 4.510 -7.983 1.00 0.00 O ATOM 0 H SER A 60 16.894 3.659 -9.677 1.00 0.00 H new ATOM 0 HA SER A 60 17.383 6.450 -9.824 1.00 0.00 H new ATOM 0 HB2 SER A 60 19.957 5.988 -9.265 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.830 6.508 -8.028 1.00 0.00 H new ATOM 0 HG SER A 60 20.067 4.662 -7.368 1.00 0.00 H new ATOM 959 N ASN A 61 17.620 5.237 -12.086 1.00 0.00 N ATOM 960 CA ASN A 61 18.005 4.847 -13.438 1.00 0.00 C ATOM 961 C ASN A 61 17.916 6.032 -14.393 1.00 0.00 C ATOM 962 O ASN A 61 16.901 6.730 -14.440 1.00 0.00 O ATOM 963 CB ASN A 61 17.113 3.707 -13.937 1.00 0.00 C ATOM 964 CG ASN A 61 17.723 2.343 -13.679 1.00 0.00 C ATOM 965 OD1 ASN A 61 18.915 2.225 -13.395 1.00 0.00 O ATOM 966 ND2 ASN A 61 16.906 1.301 -13.780 1.00 0.00 N ATOM 0 H ASN A 61 16.694 5.660 -12.017 1.00 0.00 H new ATOM 0 HA ASN A 61 19.039 4.504 -13.409 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.142 3.767 -13.446 1.00 0.00 H new ATOM 0 HB3 ASN A 61 16.937 3.828 -15.006 1.00 0.00 H new ATOM 0 HD21 ASN A 61 17.260 0.358 -13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 61 15.924 1.444 -14.018 1.00 0.00 H new ATOM 973 N LYS A 62 18.983 6.256 -15.152 1.00 0.00 N ATOM 974 CA LYS A 62 19.025 7.358 -16.107 1.00 0.00 C ATOM 975 C LYS A 62 20.070 7.101 -17.188 1.00 0.00 C ATOM 976 O LYS A 62 19.809 7.292 -18.376 1.00 0.00 O ATOM 977 CB LYS A 62 19.333 8.672 -15.388 1.00 0.00 C ATOM 978 CG LYS A 62 18.141 9.250 -14.642 1.00 0.00 C ATOM 979 CD LYS A 62 18.213 10.766 -14.569 1.00 0.00 C ATOM 980 CE LYS A 62 17.179 11.326 -13.605 1.00 0.00 C ATOM 981 NZ LYS A 62 17.700 11.403 -12.213 1.00 0.00 N ATOM 0 H LYS A 62 19.831 5.689 -15.125 1.00 0.00 H new ATOM 0 HA LYS A 62 18.047 7.432 -16.582 1.00 0.00 H new ATOM 0 HB2 LYS A 62 20.148 8.509 -14.683 1.00 0.00 H new ATOM 0 HB3 LYS A 62 19.684 9.402 -16.117 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.219 8.952 -15.141 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.106 8.837 -13.634 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.211 11.069 -14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.053 11.187 -15.561 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.877 12.320 -13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.288 10.699 -13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.964 11.790 -11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.965 10.451 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.535 12.022 -12.189 1.00 0.00 H new ATOM 995 N LYS A 63 21.253 6.664 -16.768 1.00 0.00 N ATOM 996 CA LYS A 63 22.338 6.379 -17.701 1.00 0.00 C ATOM 997 C LYS A 63 23.140 5.164 -17.248 1.00 0.00 C ATOM 998 O LYS A 63 24.203 5.301 -16.641 1.00 0.00 O ATOM 999 CB LYS A 63 23.259 7.594 -17.830 1.00 0.00 C ATOM 1000 CG LYS A 63 23.710 8.160 -16.491 1.00 0.00 C ATOM 1001 CD LYS A 63 23.703 9.681 -16.498 1.00 0.00 C ATOM 1002 CE LYS A 63 24.663 10.237 -17.536 1.00 0.00 C ATOM 1003 NZ LYS A 63 26.048 10.364 -17.002 1.00 0.00 N ATOM 0 H LYS A 63 21.485 6.500 -15.788 1.00 0.00 H new ATOM 0 HA LYS A 63 21.899 6.159 -18.674 1.00 0.00 H new ATOM 0 HB2 LYS A 63 24.137 7.314 -18.411 1.00 0.00 H new ATOM 0 HB3 LYS A 63 22.742 8.374 -18.389 1.00 0.00 H new ATOM 0 HG2 LYS A 63 23.053 7.796 -15.701 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.713 7.801 -16.262 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.695 10.040 -16.704 1.00 0.00 H new ATOM 0 HD3 LYS A 63 23.978 10.052 -15.511 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.669 9.586 -18.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.312 11.214 -17.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.671 10.747 -17.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.047 11.006 -16.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.394 9.428 -16.708 1.00 0.00 H new ATOM 1017 N THR A 64 22.625 3.977 -17.547 1.00 0.00 N ATOM 1018 CA THR A 64 23.294 2.736 -17.170 1.00 0.00 C ATOM 1019 C THR A 64 23.495 1.837 -18.386 1.00 0.00 C ATOM 1020 O THR A 64 22.987 2.119 -19.470 1.00 0.00 O ATOM 1021 CB THR A 64 22.483 1.998 -16.105 1.00 0.00 C ATOM 1022 OG1 THR A 64 21.642 2.896 -15.403 1.00 0.00 O ATOM 1023 CG2 THR A 64 23.343 1.283 -15.086 1.00 0.00 C ATOM 0 H THR A 64 21.747 3.847 -18.049 1.00 0.00 H new ATOM 0 HA THR A 64 24.272 2.989 -16.761 1.00 0.00 H new ATOM 0 HB THR A 64 21.900 1.255 -16.650 1.00 0.00 H new ATOM 0 HG1 THR A 64 21.130 2.404 -14.727 1.00 0.00 H new ATOM 0 HG21 THR A 64 22.704 0.780 -14.360 1.00 0.00 H new ATOM 0 HG22 THR A 64 23.969 0.547 -15.590 1.00 0.00 H new ATOM 0 HG23 THR A 64 23.976 2.006 -14.573 1.00 0.00 H new ATOM 1031 N THR A 65 24.242 0.755 -18.197 1.00 0.00 N ATOM 1032 CA THR A 65 24.512 -0.186 -19.278 1.00 0.00 C ATOM 1033 C THR A 65 23.508 -1.334 -19.262 1.00 0.00 C ATOM 1034 O THR A 65 23.107 -1.835 -20.313 1.00 0.00 O ATOM 1035 CB THR A 65 25.936 -0.734 -19.160 1.00 0.00 C ATOM 1036 OG1 THR A 65 26.217 -1.631 -20.219 1.00 0.00 O ATOM 1037 CG2 THR A 65 26.189 -1.466 -17.860 1.00 0.00 C ATOM 0 H THR A 65 24.671 0.508 -17.305 1.00 0.00 H new ATOM 0 HA THR A 65 24.413 0.346 -20.224 1.00 0.00 H new ATOM 0 HB THR A 65 26.586 0.140 -19.199 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.132 -1.969 -20.127 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.217 -1.829 -17.841 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.028 -0.787 -17.023 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.505 -2.310 -17.779 1.00 0.00 H new ATOM 1045 N ALA A 66 23.110 -1.749 -18.065 1.00 0.00 N ATOM 1046 CA ALA A 66 22.153 -2.838 -17.912 1.00 0.00 C ATOM 1047 C ALA A 66 22.692 -4.128 -18.520 1.00 0.00 C ATOM 1048 O ALA A 66 21.883 -5.048 -18.766 1.00 0.00 O ATOM 1049 CB ALA A 66 20.824 -2.465 -18.551 1.00 0.00 C ATOM 1050 OXT ALA A 66 23.917 -4.209 -18.746 1.00 0.00 O ATOM 0 H ALA A 66 23.436 -1.347 -17.186 1.00 0.00 H new ATOM 0 HA ALA A 66 21.996 -3.006 -16.847 1.00 0.00 H new ATOM 0 HB1 ALA A 66 20.118 -3.287 -18.430 1.00 0.00 H new ATOM 0 HB2 ALA A 66 20.427 -1.572 -18.069 1.00 0.00 H new ATOM 0 HB3 ALA A 66 20.973 -2.269 -19.613 1.00 0.00 H new TER 1056 ALA A 66