USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 748 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 55 ASN : amide:sc= -5.38! C(o=-22!,f=-17!) USER MOD Set 1.2: A 59 HIS : no HE2:sc= -14.7! C(o=-22!,f=-24!) USER MOD Set 1.3: A 61 TYR OH : rot -5:sc= -1.6! USER MOD Set 2.1: A 44 ASN : amide:sc= -0.693 K(o=-0.69,f=-0.19) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0824 USER MOD Single : A 15 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.8!) USER MOD Single : A 20 SER OG : rot 130:sc= -0.573 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -3.36 X(o=-3.4,f=-3.3!) USER MOD Single : A 26 THR OG1 : rot -104:sc= 1.01 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc=-0.00218 K(o=-0.0022,f=-3.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.034) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= 0.35 (180deg=0.206) USER MOD Single : A 67 ASN : amide:sc= -0.28 K(o=-0.28,f=-0.96) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 65:sc= 0.228 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.024 23.656 0.903 1.00 0.00 N ATOM 2 CA ALA A 1 -6.070 22.186 0.660 1.00 0.00 C ATOM 3 C ALA A 1 -7.204 21.568 1.481 1.00 0.00 C ATOM 4 O ALA A 1 -8.308 21.398 1.005 1.00 0.00 O ATOM 5 CB ALA A 1 -4.739 21.557 1.078 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.253 24.076 0.345 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.929 24.083 0.620 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.857 23.836 1.914 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.244 21.999 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.773 20.482 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.930 21.996 0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.565 21.744 2.138 1.00 0.00 H new ATOM 13 N GLU A 2 -6.937 21.231 2.713 1.00 0.00 N ATOM 14 CA GLU A 2 -7.996 20.624 3.567 1.00 0.00 C ATOM 15 C GLU A 2 -8.267 19.191 3.104 1.00 0.00 C ATOM 16 O GLU A 2 -8.813 18.962 2.043 1.00 0.00 O ATOM 17 CB GLU A 2 -9.279 21.449 3.454 1.00 0.00 C ATOM 18 CG GLU A 2 -9.753 21.847 4.853 1.00 0.00 C ATOM 19 CD GLU A 2 -11.254 22.136 4.820 1.00 0.00 C ATOM 20 OE1 GLU A 2 -11.989 21.294 4.332 1.00 0.00 O ATOM 21 OE2 GLU A 2 -11.644 23.196 5.282 1.00 0.00 O ATOM 0 H GLU A 2 -6.030 21.350 3.165 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.663 20.613 4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.100 22.340 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.052 20.872 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.542 21.046 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.210 22.728 5.196 1.00 0.00 H new ATOM 28 N VAL A 3 -7.890 18.224 3.895 1.00 0.00 N ATOM 29 CA VAL A 3 -8.124 16.806 3.505 1.00 0.00 C ATOM 30 C VAL A 3 -9.552 16.404 3.881 1.00 0.00 C ATOM 31 O VAL A 3 -9.767 15.536 4.703 1.00 0.00 O ATOM 32 CB VAL A 3 -7.130 15.907 4.243 1.00 0.00 C ATOM 33 CG1 VAL A 3 -7.445 14.440 3.948 1.00 0.00 C ATOM 34 CG2 VAL A 3 -5.710 16.228 3.771 1.00 0.00 C ATOM 0 H VAL A 3 -7.429 18.356 4.796 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.987 16.695 2.429 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.209 16.084 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.735 13.802 4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.457 14.211 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.368 14.260 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.999 15.589 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.634 16.051 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.484 17.273 3.983 1.00 0.00 H new ATOM 44 N ARG A 4 -10.529 17.031 3.287 1.00 0.00 N ATOM 45 CA ARG A 4 -11.943 16.688 3.611 1.00 0.00 C ATOM 46 C ARG A 4 -12.211 15.217 3.277 1.00 0.00 C ATOM 47 O ARG A 4 -12.700 14.477 4.107 1.00 0.00 O ATOM 48 CB ARG A 4 -12.884 17.579 2.796 1.00 0.00 C ATOM 49 CG ARG A 4 -13.955 18.163 3.718 1.00 0.00 C ATOM 50 CD ARG A 4 -14.684 17.026 4.437 1.00 0.00 C ATOM 51 NE ARG A 4 -14.863 17.376 5.873 1.00 0.00 N ATOM 52 CZ ARG A 4 -15.877 16.897 6.540 1.00 0.00 C ATOM 53 NH1 ARG A 4 -17.093 17.236 6.209 1.00 0.00 N ATOM 54 NH2 ARG A 4 -15.676 16.075 7.533 1.00 0.00 N ATOM 0 H ARG A 4 -10.410 17.767 2.591 1.00 0.00 H new ATOM 0 HA ARG A 4 -12.118 16.851 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.321 18.382 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.351 17.001 1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.498 18.833 4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.664 18.756 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -15.654 16.851 3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.115 16.101 4.346 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.193 17.990 6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -17.250 17.875 5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -17.886 16.862 6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.726 15.806 7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.469 15.701 8.054 1.00 0.00 H new ATOM 68 N PRO A 5 -11.890 14.835 2.066 1.00 0.00 N ATOM 69 CA PRO A 5 -12.093 13.454 1.592 1.00 0.00 C ATOM 70 C PRO A 5 -10.980 12.536 2.116 1.00 0.00 C ATOM 71 O PRO A 5 -9.816 12.794 1.888 1.00 0.00 O ATOM 72 CB PRO A 5 -12.010 13.583 0.069 1.00 0.00 C ATOM 73 CG PRO A 5 -11.212 14.877 -0.216 1.00 0.00 C ATOM 74 CD PRO A 5 -11.296 15.739 1.058 1.00 0.00 C ATOM 0 HA PRO A 5 -13.033 13.020 1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -11.514 12.716 -0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.006 13.636 -0.371 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.175 14.646 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.629 15.409 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.312 16.090 1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.914 16.623 0.901 1.00 0.00 H new ATOM 82 N PRO A 6 -11.369 11.487 2.799 1.00 0.00 N ATOM 83 CA PRO A 6 -10.417 10.514 3.359 1.00 0.00 C ATOM 84 C PRO A 6 -9.925 9.564 2.261 1.00 0.00 C ATOM 85 O PRO A 6 -10.350 9.643 1.125 1.00 0.00 O ATOM 86 CB PRO A 6 -11.243 9.761 4.404 1.00 0.00 C ATOM 87 CG PRO A 6 -12.726 9.942 4.000 1.00 0.00 C ATOM 88 CD PRO A 6 -12.786 11.174 3.078 1.00 0.00 C ATOM 0 HA PRO A 6 -9.527 10.978 3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.972 8.705 4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.061 10.158 5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.098 9.056 3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.352 10.087 4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.334 10.959 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.291 12.010 3.562 1.00 0.00 H new ATOM 96 N PHE A 7 -9.035 8.668 2.589 1.00 0.00 N ATOM 97 CA PHE A 7 -8.524 7.721 1.557 1.00 0.00 C ATOM 98 C PHE A 7 -8.134 6.397 2.215 1.00 0.00 C ATOM 99 O PHE A 7 -7.486 6.369 3.242 1.00 0.00 O ATOM 100 CB PHE A 7 -7.298 8.327 0.871 1.00 0.00 C ATOM 101 CG PHE A 7 -7.671 8.774 -0.521 1.00 0.00 C ATOM 102 CD1 PHE A 7 -8.276 7.873 -1.407 1.00 0.00 C ATOM 103 CD2 PHE A 7 -7.418 10.090 -0.926 1.00 0.00 C ATOM 104 CE1 PHE A 7 -8.626 8.288 -2.697 1.00 0.00 C ATOM 105 CE2 PHE A 7 -7.767 10.504 -2.216 1.00 0.00 C ATOM 106 CZ PHE A 7 -8.372 9.604 -3.101 1.00 0.00 C ATOM 0 H PHE A 7 -8.641 8.551 3.522 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.305 7.540 0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.926 9.173 1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.493 7.593 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.472 6.858 -1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.953 10.786 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.092 7.593 -3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.570 11.519 -2.529 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.643 9.925 -4.096 1.00 0.00 H new ATOM 116 N THR A 8 -8.520 5.300 1.624 1.00 0.00 N ATOM 117 CA THR A 8 -8.170 3.975 2.205 1.00 0.00 C ATOM 118 C THR A 8 -6.874 3.471 1.566 1.00 0.00 C ATOM 119 O THR A 8 -6.844 3.106 0.407 1.00 0.00 O ATOM 120 CB THR A 8 -9.298 2.980 1.924 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.399 3.670 1.348 1.00 0.00 O ATOM 122 CG2 THR A 8 -9.736 2.319 3.230 1.00 0.00 C ATOM 0 H THR A 8 -9.064 5.265 0.762 1.00 0.00 H new ATOM 0 HA THR A 8 -8.034 4.072 3.282 1.00 0.00 H new ATOM 0 HB THR A 8 -8.945 2.214 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.123 3.036 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.539 1.611 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.891 1.792 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.091 3.082 3.923 1.00 0.00 H new ATOM 130 N TYR A 9 -5.803 3.453 2.309 1.00 0.00 N ATOM 131 CA TYR A 9 -4.511 2.978 1.740 1.00 0.00 C ATOM 132 C TYR A 9 -4.646 1.517 1.307 1.00 0.00 C ATOM 133 O TYR A 9 -4.027 1.083 0.356 1.00 0.00 O ATOM 134 CB TYR A 9 -3.416 3.099 2.801 1.00 0.00 C ATOM 135 CG TYR A 9 -3.075 4.556 3.004 1.00 0.00 C ATOM 136 CD1 TYR A 9 -3.908 5.369 3.783 1.00 0.00 C ATOM 137 CD2 TYR A 9 -1.927 5.096 2.411 1.00 0.00 C ATOM 138 CE1 TYR A 9 -3.593 6.720 3.969 1.00 0.00 C ATOM 139 CE2 TYR A 9 -1.612 6.447 2.597 1.00 0.00 C ATOM 140 CZ TYR A 9 -2.445 7.259 3.375 1.00 0.00 C ATOM 141 OH TYR A 9 -2.135 8.592 3.557 1.00 0.00 O ATOM 0 H TYR A 9 -5.766 3.746 3.285 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.249 3.586 0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.753 2.659 3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.530 2.546 2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.794 4.953 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.284 4.470 1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.235 7.347 4.570 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.726 6.863 2.140 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.306 8.803 3.078 1.00 0.00 H new ATOM 151 N ALA A 10 -5.451 0.756 1.995 1.00 0.00 N ATOM 152 CA ALA A 10 -5.625 -0.676 1.622 1.00 0.00 C ATOM 153 C ALA A 10 -6.088 -0.773 0.166 1.00 0.00 C ATOM 154 O ALA A 10 -5.667 -1.642 -0.571 1.00 0.00 O ATOM 155 CB ALA A 10 -6.675 -1.317 2.531 1.00 0.00 C ATOM 0 H ALA A 10 -5.996 1.064 2.800 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.675 -1.197 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.802 -2.365 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.348 -1.250 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.624 -0.794 2.415 1.00 0.00 H new ATOM 161 N SER A 11 -6.952 0.110 -0.252 1.00 0.00 N ATOM 162 CA SER A 11 -7.441 0.064 -1.659 1.00 0.00 C ATOM 163 C SER A 11 -6.441 0.773 -2.575 1.00 0.00 C ATOM 164 O SER A 11 -6.191 0.346 -3.684 1.00 0.00 O ATOM 165 CB SER A 11 -8.799 0.760 -1.749 1.00 0.00 C ATOM 166 OG SER A 11 -8.613 2.098 -2.191 1.00 0.00 O ATOM 0 H SER A 11 -7.340 0.861 0.319 1.00 0.00 H new ATOM 0 HA SER A 11 -7.543 -0.975 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.450 0.224 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.290 0.751 -0.776 1.00 0.00 H new ATOM 0 HG SER A 11 -9.482 2.546 -2.251 1.00 0.00 H new ATOM 172 N LEU A 12 -5.867 1.853 -2.122 1.00 0.00 N ATOM 173 CA LEU A 12 -4.886 2.585 -2.973 1.00 0.00 C ATOM 174 C LEU A 12 -3.652 1.709 -3.198 1.00 0.00 C ATOM 175 O LEU A 12 -3.033 1.747 -4.243 1.00 0.00 O ATOM 176 CB LEU A 12 -4.470 3.880 -2.273 1.00 0.00 C ATOM 177 CG LEU A 12 -5.712 4.722 -1.978 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.328 5.901 -1.083 1.00 0.00 C ATOM 179 CD2 LEU A 12 -6.295 5.245 -3.292 1.00 0.00 C ATOM 0 H LEU A 12 -6.034 2.260 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.344 2.821 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.944 3.652 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.779 4.440 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.456 4.109 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.213 6.501 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.912 5.527 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.585 6.516 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.181 5.845 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.552 5.859 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.569 4.404 -3.929 1.00 0.00 H new ATOM 191 N ILE A 13 -3.288 0.920 -2.224 1.00 0.00 N ATOM 192 CA ILE A 13 -2.093 0.043 -2.381 1.00 0.00 C ATOM 193 C ILE A 13 -2.399 -1.064 -3.391 1.00 0.00 C ATOM 194 O ILE A 13 -1.682 -1.255 -4.353 1.00 0.00 O ATOM 195 CB ILE A 13 -1.737 -0.582 -1.032 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.172 0.499 -0.106 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.688 -1.676 -1.236 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.830 -0.120 1.251 1.00 0.00 C ATOM 0 H ILE A 13 -3.767 0.845 -1.326 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.253 0.638 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.631 -1.016 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.281 0.944 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.899 1.301 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.435 -2.121 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.088 -2.445 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.207 -1.243 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.428 0.649 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.731 -0.544 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.088 -0.906 1.115 1.00 0.00 H new ATOM 210 N ARG A 14 -3.462 -1.793 -3.184 1.00 0.00 N ATOM 211 CA ARG A 14 -3.809 -2.882 -4.138 1.00 0.00 C ATOM 212 C ARG A 14 -3.858 -2.304 -5.553 1.00 0.00 C ATOM 213 O ARG A 14 -3.654 -2.998 -6.528 1.00 0.00 O ATOM 214 CB ARG A 14 -5.178 -3.461 -3.773 1.00 0.00 C ATOM 215 CG ARG A 14 -6.249 -2.378 -3.928 1.00 0.00 C ATOM 216 CD ARG A 14 -7.628 -3.032 -4.026 1.00 0.00 C ATOM 217 NE ARG A 14 -8.166 -2.855 -5.404 1.00 0.00 N ATOM 218 CZ ARG A 14 -9.200 -2.086 -5.606 1.00 0.00 C ATOM 219 NH1 ARG A 14 -10.242 -2.176 -4.825 1.00 0.00 N ATOM 220 NH2 ARG A 14 -9.194 -1.227 -6.589 1.00 0.00 N ATOM 0 H ARG A 14 -4.102 -1.681 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.060 -3.672 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.409 -4.310 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.166 -3.832 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.218 -1.697 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.053 -1.783 -4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.557 -4.093 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.306 -2.585 -3.299 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.726 -3.335 -6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.247 -2.847 -4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.051 -1.575 -4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.380 -1.157 -7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.003 -0.626 -6.746 1.00 0.00 H new ATOM 234 N GLN A 15 -4.125 -1.031 -5.667 1.00 0.00 N ATOM 235 CA GLN A 15 -4.186 -0.395 -7.011 1.00 0.00 C ATOM 236 C GLN A 15 -2.805 -0.446 -7.665 1.00 0.00 C ATOM 237 O GLN A 15 -2.621 -1.044 -8.704 1.00 0.00 O ATOM 238 CB GLN A 15 -4.626 1.063 -6.862 1.00 0.00 C ATOM 239 CG GLN A 15 -5.812 1.337 -7.788 1.00 0.00 C ATOM 240 CD GLN A 15 -5.907 2.838 -8.067 1.00 0.00 C ATOM 241 OE1 GLN A 15 -4.974 3.574 -7.819 1.00 0.00 O ATOM 242 NE2 GLN A 15 -7.007 3.327 -8.575 1.00 0.00 N ATOM 0 H GLN A 15 -4.304 -0.403 -4.883 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.901 -0.931 -7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.904 1.266 -5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.799 1.730 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.691 0.790 -8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.735 0.983 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.791 2.709 -8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.082 4.327 -8.763 1.00 0.00 H new ATOM 251 N ALA A 16 -1.829 0.178 -7.065 1.00 0.00 N ATOM 252 CA ALA A 16 -0.463 0.161 -7.656 1.00 0.00 C ATOM 253 C ALA A 16 0.078 -1.269 -7.638 1.00 0.00 C ATOM 254 O ALA A 16 0.937 -1.630 -8.419 1.00 0.00 O ATOM 255 CB ALA A 16 0.460 1.067 -6.837 1.00 0.00 C ATOM 0 H ALA A 16 -1.919 0.698 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.505 0.522 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.460 1.054 -7.270 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.073 2.086 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.505 0.707 -5.809 1.00 0.00 H new ATOM 261 N ILE A 17 -0.418 -2.088 -6.752 1.00 0.00 N ATOM 262 CA ILE A 17 0.066 -3.495 -6.679 1.00 0.00 C ATOM 263 C ILE A 17 -0.432 -4.276 -7.899 1.00 0.00 C ATOM 264 O ILE A 17 0.347 -4.806 -8.665 1.00 0.00 O ATOM 265 CB ILE A 17 -0.458 -4.144 -5.398 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.296 -3.574 -4.194 1.00 0.00 C ATOM 267 CG2 ILE A 17 -0.243 -5.658 -5.462 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.740 -4.074 -4.212 1.00 0.00 C ATOM 0 H ILE A 17 -1.139 -1.843 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 17 1.156 -3.506 -6.671 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.523 -3.934 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.277 -2.485 -4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.193 -3.877 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.618 -6.118 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.779 -6.066 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.821 -5.870 -5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.276 -3.668 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.749 -5.163 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.226 -3.748 -5.132 1.00 0.00 H new ATOM 280 N LEU A 18 -1.723 -4.357 -8.089 1.00 0.00 N ATOM 281 CA LEU A 18 -2.250 -5.109 -9.262 1.00 0.00 C ATOM 282 C LEU A 18 -1.565 -4.604 -10.533 1.00 0.00 C ATOM 283 O LEU A 18 -1.461 -5.310 -11.518 1.00 0.00 O ATOM 284 CB LEU A 18 -3.765 -4.906 -9.372 1.00 0.00 C ATOM 285 CG LEU A 18 -4.063 -3.508 -9.921 1.00 0.00 C ATOM 286 CD1 LEU A 18 -3.998 -3.533 -11.449 1.00 0.00 C ATOM 287 CD2 LEU A 18 -5.462 -3.077 -9.477 1.00 0.00 C ATOM 0 H LEU A 18 -2.430 -3.937 -7.486 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.045 -6.172 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.196 -5.663 -10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.230 -5.029 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.325 -2.802 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.210 -2.537 -11.839 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.002 -3.842 -11.766 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.736 -4.238 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.677 -2.082 -9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.199 -3.783 -9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.509 -3.058 -8.388 1.00 0.00 H new ATOM 299 N GLU A 19 -1.092 -3.387 -10.519 1.00 0.00 N ATOM 300 CA GLU A 19 -0.410 -2.839 -11.725 1.00 0.00 C ATOM 301 C GLU A 19 0.745 -3.766 -12.110 1.00 0.00 C ATOM 302 O GLU A 19 1.168 -3.810 -13.248 1.00 0.00 O ATOM 303 CB GLU A 19 0.137 -1.444 -11.412 1.00 0.00 C ATOM 304 CG GLU A 19 0.397 -0.692 -12.719 1.00 0.00 C ATOM 305 CD GLU A 19 0.385 0.814 -12.452 1.00 0.00 C ATOM 306 OE1 GLU A 19 1.405 1.326 -12.021 1.00 0.00 O ATOM 307 OE2 GLU A 19 -0.642 1.428 -12.682 1.00 0.00 O ATOM 0 H GLU A 19 -1.149 -2.749 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.119 -2.772 -12.550 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.575 -0.892 -10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.059 -1.524 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.358 -0.990 -13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.365 -0.948 -13.456 1.00 0.00 H new ATOM 314 N SER A 20 1.255 -4.510 -11.166 1.00 0.00 N ATOM 315 CA SER A 20 2.380 -5.439 -11.469 1.00 0.00 C ATOM 316 C SER A 20 1.812 -6.775 -11.961 1.00 0.00 C ATOM 317 O SER A 20 0.612 -6.958 -11.999 1.00 0.00 O ATOM 318 CB SER A 20 3.204 -5.666 -10.199 1.00 0.00 C ATOM 319 OG SER A 20 2.838 -6.912 -9.616 1.00 0.00 O ATOM 0 H SER A 20 0.940 -4.514 -10.196 1.00 0.00 H new ATOM 0 HA SER A 20 3.017 -5.009 -12.242 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.268 -5.661 -10.436 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.032 -4.856 -9.491 1.00 0.00 H new ATOM 0 HG SER A 20 3.645 -7.435 -9.428 1.00 0.00 H new ATOM 325 N PRO A 21 2.696 -7.671 -12.322 1.00 0.00 N ATOM 326 CA PRO A 21 2.316 -9.005 -12.814 1.00 0.00 C ATOM 327 C PRO A 21 1.939 -9.916 -11.641 1.00 0.00 C ATOM 328 O PRO A 21 0.909 -10.561 -11.650 1.00 0.00 O ATOM 329 CB PRO A 21 3.586 -9.506 -13.509 1.00 0.00 C ATOM 330 CG PRO A 21 4.762 -8.708 -12.898 1.00 0.00 C ATOM 331 CD PRO A 21 4.155 -7.436 -12.274 1.00 0.00 C ATOM 0 HA PRO A 21 1.452 -8.989 -13.478 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.719 -10.576 -13.351 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.527 -9.348 -14.586 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.281 -9.300 -12.144 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.495 -8.452 -13.663 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.502 -7.290 -11.251 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.434 -6.544 -12.836 1.00 0.00 H new ATOM 339 N GLU A 22 2.766 -9.975 -10.631 1.00 0.00 N ATOM 340 CA GLU A 22 2.458 -10.839 -9.465 1.00 0.00 C ATOM 341 C GLU A 22 1.913 -9.981 -8.320 1.00 0.00 C ATOM 342 O GLU A 22 2.102 -10.284 -7.159 1.00 0.00 O ATOM 343 CB GLU A 22 3.730 -11.556 -9.011 1.00 0.00 C ATOM 344 CG GLU A 22 4.253 -12.435 -10.150 1.00 0.00 C ATOM 345 CD GLU A 22 4.865 -13.711 -9.571 1.00 0.00 C ATOM 346 OE1 GLU A 22 4.354 -14.189 -8.571 1.00 0.00 O ATOM 347 OE2 GLU A 22 5.835 -14.189 -10.136 1.00 0.00 O ATOM 0 H GLU A 22 3.643 -9.459 -10.568 1.00 0.00 H new ATOM 0 HA GLU A 22 1.709 -11.578 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.488 -10.828 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.523 -12.166 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.441 -12.686 -10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.999 -11.892 -10.729 1.00 0.00 H new ATOM 354 N LYS A 23 1.222 -8.923 -8.644 1.00 0.00 N ATOM 355 CA LYS A 23 0.647 -8.047 -7.596 1.00 0.00 C ATOM 356 C LYS A 23 1.636 -7.873 -6.440 1.00 0.00 C ATOM 357 O LYS A 23 1.261 -7.901 -5.285 1.00 0.00 O ATOM 358 CB LYS A 23 -0.644 -8.670 -7.082 1.00 0.00 C ATOM 359 CG LYS A 23 -1.320 -9.468 -8.201 1.00 0.00 C ATOM 360 CD LYS A 23 -2.792 -9.686 -7.850 1.00 0.00 C ATOM 361 CE LYS A 23 -3.522 -8.343 -7.852 1.00 0.00 C ATOM 362 NZ LYS A 23 -4.941 -8.552 -8.255 1.00 0.00 N ATOM 0 H LYS A 23 1.032 -8.629 -9.602 1.00 0.00 H new ATOM 0 HA LYS A 23 0.441 -7.065 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.431 -9.323 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.316 -7.891 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.235 -8.933 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.820 -10.428 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.252 -10.363 -8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.877 -10.157 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.477 -7.890 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.035 -7.653 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.439 -7.639 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.974 -8.966 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.402 -9.197 -7.581 1.00 0.00 H new ATOM 376 N GLN A 24 2.892 -7.670 -6.743 1.00 0.00 N ATOM 377 CA GLN A 24 3.905 -7.468 -5.663 1.00 0.00 C ATOM 378 C GLN A 24 4.697 -6.202 -5.962 1.00 0.00 C ATOM 379 O GLN A 24 4.984 -5.898 -7.103 1.00 0.00 O ATOM 380 CB GLN A 24 4.877 -8.652 -5.593 1.00 0.00 C ATOM 381 CG GLN A 24 4.863 -9.437 -6.908 1.00 0.00 C ATOM 382 CD GLN A 24 6.255 -10.015 -7.171 1.00 0.00 C ATOM 383 OE1 GLN A 24 7.240 -9.306 -7.118 1.00 0.00 O ATOM 384 NE2 GLN A 24 6.379 -11.283 -7.456 1.00 0.00 N ATOM 0 H GLN A 24 3.261 -7.635 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 24 3.385 -7.385 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.885 -8.291 -5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.601 -9.309 -4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.128 -10.240 -6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.567 -8.785 -7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.552 -11.879 -7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.303 -11.678 -7.634 1.00 0.00 H new ATOM 393 N LEU A 25 5.053 -5.455 -4.956 1.00 0.00 N ATOM 394 CA LEU A 25 5.817 -4.218 -5.218 1.00 0.00 C ATOM 395 C LEU A 25 6.672 -3.832 -4.015 1.00 0.00 C ATOM 396 O LEU A 25 6.197 -3.758 -2.901 1.00 0.00 O ATOM 397 CB LEU A 25 4.844 -3.087 -5.532 1.00 0.00 C ATOM 398 CG LEU A 25 4.552 -3.048 -7.033 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.552 -1.930 -7.327 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.849 -2.785 -7.802 1.00 0.00 C ATOM 0 H LEU A 25 4.848 -5.649 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 25 6.480 -4.394 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.917 -3.229 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.265 -2.134 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 25 4.133 -4.005 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.343 -1.901 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.627 -2.116 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.972 -0.974 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.639 -2.758 -8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.269 -1.829 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.564 -3.581 -7.593 1.00 0.00 H new ATOM 412 N THR A 26 7.934 -3.577 -4.231 1.00 0.00 N ATOM 413 CA THR A 26 8.818 -3.189 -3.096 1.00 0.00 C ATOM 414 C THR A 26 8.334 -1.861 -2.508 1.00 0.00 C ATOM 415 O THR A 26 7.540 -1.161 -3.105 1.00 0.00 O ATOM 416 CB THR A 26 10.255 -3.028 -3.600 1.00 0.00 C ATOM 417 OG1 THR A 26 10.298 -2.001 -4.581 1.00 0.00 O ATOM 418 CG2 THR A 26 10.735 -4.344 -4.215 1.00 0.00 C ATOM 0 H THR A 26 8.390 -3.621 -5.142 1.00 0.00 H new ATOM 0 HA THR A 26 8.787 -3.962 -2.329 1.00 0.00 H new ATOM 0 HB THR A 26 10.905 -2.763 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.368 -2.403 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.758 -4.227 -4.573 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.702 -5.131 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.087 -4.613 -5.049 1.00 0.00 H new ATOM 426 N LEU A 27 8.804 -1.511 -1.342 1.00 0.00 N ATOM 427 CA LEU A 27 8.368 -0.229 -0.718 1.00 0.00 C ATOM 428 C LEU A 27 8.887 0.947 -1.548 1.00 0.00 C ATOM 429 O LEU A 27 8.199 1.930 -1.748 1.00 0.00 O ATOM 430 CB LEU A 27 8.935 -0.137 0.701 1.00 0.00 C ATOM 431 CG LEU A 27 7.976 0.665 1.583 1.00 0.00 C ATOM 432 CD1 LEU A 27 8.406 0.545 3.047 1.00 0.00 C ATOM 433 CD2 LEU A 27 8.009 2.137 1.164 1.00 0.00 C ATOM 0 H LEU A 27 9.470 -2.056 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 27 7.279 -0.195 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.076 -1.136 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.914 0.341 0.682 1.00 0.00 H new ATOM 0 HG LEU A 27 6.965 0.274 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.723 1.117 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.385 -0.503 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.417 0.935 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.326 2.709 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.021 2.526 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.704 2.225 0.121 1.00 0.00 H new ATOM 445 N ASN A 28 10.096 0.859 -2.029 1.00 0.00 N ATOM 446 CA ASN A 28 10.660 1.976 -2.841 1.00 0.00 C ATOM 447 C ASN A 28 9.752 2.256 -4.043 1.00 0.00 C ATOM 448 O ASN A 28 9.347 3.377 -4.277 1.00 0.00 O ATOM 449 CB ASN A 28 12.056 1.591 -3.335 1.00 0.00 C ATOM 450 CG ASN A 28 13.110 2.166 -2.386 1.00 0.00 C ATOM 451 OD1 ASN A 28 13.082 1.905 -1.199 1.00 0.00 O ATOM 452 ND2 ASN A 28 14.042 2.946 -2.860 1.00 0.00 N ATOM 0 H ASN A 28 10.719 0.062 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 28 10.724 2.872 -2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.149 0.506 -3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.214 1.971 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.747 3.337 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.066 3.165 -3.856 1.00 0.00 H new ATOM 459 N GLU A 29 9.436 1.249 -4.810 1.00 0.00 N ATOM 460 CA GLU A 29 8.563 1.463 -6.001 1.00 0.00 C ATOM 461 C GLU A 29 7.215 2.040 -5.561 1.00 0.00 C ATOM 462 O GLU A 29 6.752 3.032 -6.090 1.00 0.00 O ATOM 463 CB GLU A 29 8.335 0.127 -6.712 1.00 0.00 C ATOM 464 CG GLU A 29 9.655 -0.364 -7.310 1.00 0.00 C ATOM 465 CD GLU A 29 9.531 -1.846 -7.668 1.00 0.00 C ATOM 466 OE1 GLU A 29 9.690 -2.665 -6.778 1.00 0.00 O ATOM 467 OE2 GLU A 29 9.280 -2.137 -8.826 1.00 0.00 O ATOM 0 H GLU A 29 9.744 0.288 -4.664 1.00 0.00 H new ATOM 0 HA GLU A 29 9.049 2.163 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.946 -0.609 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.589 0.244 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.902 0.217 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.467 -0.217 -6.597 1.00 0.00 H new ATOM 474 N ILE A 30 6.579 1.429 -4.601 1.00 0.00 N ATOM 475 CA ILE A 30 5.261 1.946 -4.135 1.00 0.00 C ATOM 476 C ILE A 30 5.419 3.395 -3.675 1.00 0.00 C ATOM 477 O ILE A 30 4.522 4.203 -3.810 1.00 0.00 O ATOM 478 CB ILE A 30 4.762 1.094 -2.967 1.00 0.00 C ATOM 479 CG1 ILE A 30 4.684 -0.371 -3.404 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.373 1.573 -2.544 1.00 0.00 C ATOM 481 CD1 ILE A 30 4.384 -1.251 -2.188 1.00 0.00 C ATOM 0 H ILE A 30 6.914 0.595 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 30 4.542 1.898 -4.953 1.00 0.00 H new ATOM 0 HB ILE A 30 5.450 1.188 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.906 -0.496 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.625 -0.675 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.017 0.966 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.427 2.617 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.684 1.478 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.328 -2.294 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.177 -1.134 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.432 -0.952 -1.748 1.00 0.00 H new ATOM 493 N TYR A 31 6.557 3.731 -3.135 1.00 0.00 N ATOM 494 CA TYR A 31 6.781 5.125 -2.667 1.00 0.00 C ATOM 495 C TYR A 31 6.867 6.058 -3.876 1.00 0.00 C ATOM 496 O TYR A 31 6.380 7.171 -3.851 1.00 0.00 O ATOM 497 CB TYR A 31 8.087 5.186 -1.872 1.00 0.00 C ATOM 498 CG TYR A 31 8.362 6.609 -1.456 1.00 0.00 C ATOM 499 CD1 TYR A 31 8.857 7.526 -2.389 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.125 7.011 -0.136 1.00 0.00 C ATOM 501 CE1 TYR A 31 9.115 8.847 -2.004 1.00 0.00 C ATOM 502 CE2 TYR A 31 8.383 8.332 0.250 1.00 0.00 C ATOM 503 CZ TYR A 31 8.879 9.250 -0.684 1.00 0.00 C ATOM 504 OH TYR A 31 9.133 10.552 -0.304 1.00 0.00 O ATOM 0 H TYR A 31 7.344 3.097 -2.998 1.00 0.00 H new ATOM 0 HA TYR A 31 5.954 5.438 -2.029 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.019 4.546 -0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.911 4.808 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.040 7.215 -3.407 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.743 6.302 0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.496 9.555 -2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.200 8.643 1.268 1.00 0.00 H new ATOM 0 HH TYR A 31 8.914 10.665 0.645 1.00 0.00 H new ATOM 514 N ASN A 32 7.479 5.611 -4.940 1.00 0.00 N ATOM 515 CA ASN A 32 7.589 6.471 -6.152 1.00 0.00 C ATOM 516 C ASN A 32 6.192 6.724 -6.725 1.00 0.00 C ATOM 517 O ASN A 32 5.807 7.848 -6.976 1.00 0.00 O ATOM 518 CB ASN A 32 8.450 5.763 -7.199 1.00 0.00 C ATOM 519 CG ASN A 32 8.821 6.749 -8.308 1.00 0.00 C ATOM 520 OD1 ASN A 32 8.379 6.611 -9.431 1.00 0.00 O ATOM 521 ND2 ASN A 32 9.619 7.745 -8.039 1.00 0.00 N ATOM 0 H ASN A 32 7.907 4.689 -5.021 1.00 0.00 H new ATOM 0 HA ASN A 32 8.049 7.422 -5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.352 5.366 -6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.908 4.915 -7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.872 8.408 -8.772 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.990 7.861 -7.096 1.00 0.00 H new ATOM 528 N TRP A 33 5.431 5.685 -6.937 1.00 0.00 N ATOM 529 CA TRP A 33 4.061 5.860 -7.495 1.00 0.00 C ATOM 530 C TRP A 33 3.208 6.676 -6.523 1.00 0.00 C ATOM 531 O TRP A 33 2.528 7.608 -6.906 1.00 0.00 O ATOM 532 CB TRP A 33 3.423 4.484 -7.708 1.00 0.00 C ATOM 533 CG TRP A 33 1.969 4.645 -8.021 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.471 5.039 -9.215 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.821 4.415 -7.153 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.090 5.067 -9.135 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.358 4.690 -7.884 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.690 3.999 -5.816 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.623 4.559 -7.310 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.582 3.866 -5.234 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.736 4.145 -5.980 1.00 0.00 C ATOM 0 H TRP A 33 5.701 4.720 -6.747 1.00 0.00 H new ATOM 0 HA TRP A 33 4.121 6.387 -8.447 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.925 3.962 -8.523 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.547 3.873 -6.814 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.055 5.291 -10.088 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.523 5.334 -9.906 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.572 3.780 -5.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.508 4.776 -7.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.671 3.547 -4.206 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.711 4.040 -5.527 1.00 0.00 H new ATOM 552 N PHE A 34 3.237 6.330 -5.266 1.00 0.00 N ATOM 553 CA PHE A 34 2.429 7.075 -4.262 1.00 0.00 C ATOM 554 C PHE A 34 2.655 8.583 -4.420 1.00 0.00 C ATOM 555 O PHE A 34 1.749 9.323 -4.750 1.00 0.00 O ATOM 556 CB PHE A 34 2.856 6.644 -2.859 1.00 0.00 C ATOM 557 CG PHE A 34 1.783 5.780 -2.240 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.648 4.443 -2.633 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.925 6.315 -1.272 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.654 3.641 -2.059 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.069 5.512 -0.697 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.205 4.176 -1.091 1.00 0.00 C ATOM 0 H PHE A 34 3.789 5.559 -4.890 1.00 0.00 H new ATOM 0 HA PHE A 34 1.372 6.856 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.796 6.094 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.033 7.522 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.311 4.030 -3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.029 7.346 -0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.550 2.610 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.730 5.924 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.972 3.558 -0.649 1.00 0.00 H new ATOM 572 N THR A 35 3.849 9.047 -4.171 1.00 0.00 N ATOM 573 CA THR A 35 4.123 10.508 -4.290 1.00 0.00 C ATOM 574 C THR A 35 3.894 10.973 -5.730 1.00 0.00 C ATOM 575 O THR A 35 3.267 11.986 -5.971 1.00 0.00 O ATOM 576 CB THR A 35 5.576 10.787 -3.894 1.00 0.00 C ATOM 577 OG1 THR A 35 6.439 10.366 -4.941 1.00 0.00 O ATOM 578 CG2 THR A 35 5.914 10.024 -2.613 1.00 0.00 C ATOM 0 H THR A 35 4.647 8.478 -3.890 1.00 0.00 H new ATOM 0 HA THR A 35 3.447 11.050 -3.628 1.00 0.00 H new ATOM 0 HB THR A 35 5.707 11.855 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.369 10.545 -4.690 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.948 10.224 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.251 10.349 -1.811 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.784 8.955 -2.781 1.00 0.00 H new ATOM 586 N ARG A 36 4.406 10.252 -6.688 1.00 0.00 N ATOM 587 CA ARG A 36 4.229 10.663 -8.110 1.00 0.00 C ATOM 588 C ARG A 36 2.754 10.960 -8.394 1.00 0.00 C ATOM 589 O ARG A 36 2.421 11.958 -9.002 1.00 0.00 O ATOM 590 CB ARG A 36 4.706 9.535 -9.028 1.00 0.00 C ATOM 591 CG ARG A 36 6.225 9.624 -9.195 1.00 0.00 C ATOM 592 CD ARG A 36 6.569 9.705 -10.684 1.00 0.00 C ATOM 593 NE ARG A 36 7.849 8.984 -10.937 1.00 0.00 N ATOM 594 CZ ARG A 36 8.194 8.672 -12.157 1.00 0.00 C ATOM 595 NH1 ARG A 36 7.309 8.170 -12.976 1.00 0.00 N ATOM 596 NH2 ARG A 36 9.420 8.862 -12.558 1.00 0.00 N ATOM 0 H ARG A 36 4.940 9.394 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 36 4.815 11.563 -8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.431 8.568 -8.607 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.217 9.610 -9.999 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.608 10.501 -8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.703 8.753 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.768 9.265 -11.278 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.659 10.747 -10.992 1.00 0.00 H new ATOM 0 HE ARG A 36 8.456 8.734 -10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.350 8.022 -12.662 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.577 7.926 -13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.111 9.255 -11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.688 8.618 -13.511 1.00 0.00 H new ATOM 610 N MET A 37 1.867 10.104 -7.969 1.00 0.00 N ATOM 611 CA MET A 37 0.420 10.345 -8.228 1.00 0.00 C ATOM 612 C MET A 37 -0.138 11.326 -7.193 1.00 0.00 C ATOM 613 O MET A 37 -0.826 12.269 -7.531 1.00 0.00 O ATOM 614 CB MET A 37 -0.342 9.021 -8.145 1.00 0.00 C ATOM 615 CG MET A 37 -0.236 8.287 -9.483 1.00 0.00 C ATOM 616 SD MET A 37 -1.000 9.289 -10.783 1.00 0.00 S ATOM 617 CE MET A 37 -0.446 8.295 -12.190 1.00 0.00 C ATOM 0 H MET A 37 2.081 9.250 -7.455 1.00 0.00 H new ATOM 0 HA MET A 37 0.300 10.771 -9.224 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.067 8.403 -7.346 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.388 9.206 -7.901 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.810 8.096 -9.723 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.730 7.318 -9.418 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.811 8.739 -13.116 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.643 8.264 -12.207 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.836 7.282 -12.096 1.00 0.00 H new ATOM 627 N PHE A 38 0.151 11.118 -5.936 1.00 0.00 N ATOM 628 CA PHE A 38 -0.370 12.050 -4.894 1.00 0.00 C ATOM 629 C PHE A 38 0.795 12.835 -4.284 1.00 0.00 C ATOM 630 O PHE A 38 1.487 12.335 -3.420 1.00 0.00 O ATOM 631 CB PHE A 38 -1.072 11.269 -3.778 1.00 0.00 C ATOM 632 CG PHE A 38 -1.569 9.939 -4.296 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.152 9.855 -5.564 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.450 8.791 -3.503 1.00 0.00 C ATOM 635 CE1 PHE A 38 -2.617 8.623 -6.041 1.00 0.00 C ATOM 636 CE2 PHE A 38 -1.913 7.559 -3.979 1.00 0.00 C ATOM 637 CZ PHE A 38 -2.497 7.475 -5.249 1.00 0.00 C ATOM 0 H PHE A 38 0.722 10.348 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.082 12.730 -5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.383 11.109 -2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.908 11.850 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.244 10.740 -6.176 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.001 8.856 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.068 8.559 -7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.820 6.674 -3.367 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.855 6.525 -5.617 1.00 0.00 H new ATOM 647 N PRO A 39 0.975 14.045 -4.747 1.00 0.00 N ATOM 648 CA PRO A 39 2.047 14.927 -4.258 1.00 0.00 C ATOM 649 C PRO A 39 1.643 15.592 -2.934 1.00 0.00 C ATOM 650 O PRO A 39 2.230 16.572 -2.522 1.00 0.00 O ATOM 651 CB PRO A 39 2.178 15.975 -5.366 1.00 0.00 C ATOM 652 CG PRO A 39 0.827 15.982 -6.124 1.00 0.00 C ATOM 653 CD PRO A 39 0.135 14.645 -5.804 1.00 0.00 C ATOM 0 HA PRO A 39 2.977 14.395 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.393 16.958 -4.947 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.999 15.728 -6.039 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.210 16.823 -5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.986 16.089 -7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.888 14.798 -5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.083 14.003 -6.683 1.00 0.00 H new ATOM 661 N TYR A 40 0.644 15.075 -2.265 1.00 0.00 N ATOM 662 CA TYR A 40 0.216 15.695 -0.980 1.00 0.00 C ATOM 663 C TYR A 40 0.568 14.779 0.195 1.00 0.00 C ATOM 664 O TYR A 40 1.365 15.127 1.044 1.00 0.00 O ATOM 665 CB TYR A 40 -1.296 15.933 -0.999 1.00 0.00 C ATOM 666 CG TYR A 40 -1.736 16.448 0.352 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.920 15.555 1.415 1.00 0.00 C ATOM 668 CD2 TYR A 40 -1.957 17.817 0.542 1.00 0.00 C ATOM 669 CE1 TYR A 40 -2.325 16.031 2.668 1.00 0.00 C ATOM 670 CE2 TYR A 40 -2.362 18.294 1.796 1.00 0.00 C ATOM 671 CZ TYR A 40 -2.545 17.402 2.859 1.00 0.00 C ATOM 672 OH TYR A 40 -2.944 17.870 4.094 1.00 0.00 O ATOM 0 H TYR A 40 0.110 14.255 -2.553 1.00 0.00 H new ATOM 0 HA TYR A 40 0.736 16.645 -0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.553 16.652 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.819 15.006 -1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.749 14.499 1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.815 18.506 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.468 15.342 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.533 19.350 1.942 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.051 18.843 4.056 1.00 0.00 H new ATOM 682 N PHE A 41 -0.028 13.619 0.262 1.00 0.00 N ATOM 683 CA PHE A 41 0.267 12.696 1.396 1.00 0.00 C ATOM 684 C PHE A 41 1.779 12.667 1.652 1.00 0.00 C ATOM 685 O PHE A 41 2.227 12.406 2.750 1.00 0.00 O ATOM 686 CB PHE A 41 -0.269 11.286 1.064 1.00 0.00 C ATOM 687 CG PHE A 41 0.848 10.376 0.595 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.566 9.614 1.524 1.00 0.00 C ATOM 689 CD2 PHE A 41 1.165 10.300 -0.764 1.00 0.00 C ATOM 690 CE1 PHE A 41 2.601 8.777 1.091 1.00 0.00 C ATOM 691 CE2 PHE A 41 2.196 9.464 -1.198 1.00 0.00 C ATOM 692 CZ PHE A 41 2.916 8.703 -0.270 1.00 0.00 C ATOM 0 H PHE A 41 -0.705 13.271 -0.417 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.227 13.047 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.746 10.858 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.034 11.357 0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.322 9.672 2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.611 10.889 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.156 8.189 1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.438 9.405 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.715 8.058 -0.605 1.00 0.00 H new ATOM 702 N ARG A 42 2.566 12.932 0.645 1.00 0.00 N ATOM 703 CA ARG A 42 4.044 12.918 0.831 1.00 0.00 C ATOM 704 C ARG A 42 4.476 14.185 1.572 1.00 0.00 C ATOM 705 O ARG A 42 5.322 14.927 1.113 1.00 0.00 O ATOM 706 CB ARG A 42 4.730 12.864 -0.535 1.00 0.00 C ATOM 707 CG ARG A 42 4.283 14.058 -1.380 1.00 0.00 C ATOM 708 CD ARG A 42 5.473 14.590 -2.179 1.00 0.00 C ATOM 709 NE ARG A 42 5.131 15.924 -2.748 1.00 0.00 N ATOM 710 CZ ARG A 42 6.062 16.661 -3.292 1.00 0.00 C ATOM 711 NH1 ARG A 42 7.095 16.096 -3.854 1.00 0.00 N ATOM 712 NH2 ARG A 42 5.960 17.961 -3.272 1.00 0.00 N ATOM 0 H ARG A 42 2.249 13.157 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 42 4.329 12.042 1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.813 12.879 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.480 11.932 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.482 13.759 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.883 14.842 -0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.350 14.671 -1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.727 13.895 -2.980 1.00 0.00 H new ATOM 0 HE ARG A 42 4.169 16.262 -2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.175 15.079 -3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.822 16.671 -4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.153 18.403 -2.831 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.687 18.536 -3.697 1.00 0.00 H new ATOM 726 N ARG A 43 3.903 14.437 2.717 1.00 0.00 N ATOM 727 CA ARG A 43 4.281 15.652 3.492 1.00 0.00 C ATOM 728 C ARG A 43 4.636 15.244 4.924 1.00 0.00 C ATOM 729 O ARG A 43 5.666 15.617 5.450 1.00 0.00 O ATOM 730 CB ARG A 43 3.103 16.629 3.517 1.00 0.00 C ATOM 731 CG ARG A 43 3.544 17.945 4.161 1.00 0.00 C ATOM 732 CD ARG A 43 3.581 19.047 3.100 1.00 0.00 C ATOM 733 NE ARG A 43 3.330 20.365 3.746 1.00 0.00 N ATOM 734 CZ ARG A 43 2.913 21.374 3.030 1.00 0.00 C ATOM 735 NH1 ARG A 43 3.776 22.178 2.473 1.00 0.00 N ATOM 736 NH2 ARG A 43 1.633 21.575 2.870 1.00 0.00 N ATOM 0 H ARG A 43 3.188 13.852 3.150 1.00 0.00 H new ATOM 0 HA ARG A 43 5.140 16.133 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.745 16.810 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.272 16.199 4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.856 18.219 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.529 17.828 4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.550 19.053 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.829 18.856 2.335 1.00 0.00 H new ATOM 0 HE ARG A 43 3.484 20.480 4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.776 22.018 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.451 22.967 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.959 20.944 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.306 22.363 2.311 1.00 0.00 H new ATOM 750 N ASN A 44 3.792 14.475 5.556 1.00 0.00 N ATOM 751 CA ASN A 44 4.079 14.038 6.951 1.00 0.00 C ATOM 752 C ASN A 44 4.280 12.521 6.971 1.00 0.00 C ATOM 753 O ASN A 44 3.443 11.779 7.447 1.00 0.00 O ATOM 754 CB ASN A 44 2.904 14.409 7.857 1.00 0.00 C ATOM 755 CG ASN A 44 3.435 15.007 9.161 1.00 0.00 C ATOM 756 OD1 ASN A 44 2.963 14.679 10.231 1.00 0.00 O ATOM 757 ND2 ASN A 44 4.407 15.878 9.117 1.00 0.00 N ATOM 0 H ASN A 44 2.915 14.130 5.166 1.00 0.00 H new ATOM 0 HA ASN A 44 4.981 14.533 7.311 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.255 15.125 7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.301 13.526 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.769 16.282 9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.804 16.154 8.219 1.00 0.00 H new ATOM 764 N ALA A 45 5.382 12.053 6.453 1.00 0.00 N ATOM 765 CA ALA A 45 5.638 10.586 6.435 1.00 0.00 C ATOM 766 C ALA A 45 5.484 10.018 7.845 1.00 0.00 C ATOM 767 O ALA A 45 5.245 8.842 8.027 1.00 0.00 O ATOM 768 CB ALA A 45 7.057 10.320 5.929 1.00 0.00 C ATOM 0 H ALA A 45 6.118 12.626 6.040 1.00 0.00 H new ATOM 0 HA ALA A 45 4.919 10.104 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.243 9.246 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.164 10.719 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.776 10.805 6.589 1.00 0.00 H new ATOM 774 N ALA A 46 5.617 10.841 8.843 1.00 0.00 N ATOM 775 CA ALA A 46 5.480 10.342 10.238 1.00 0.00 C ATOM 776 C ALA A 46 4.093 9.723 10.430 1.00 0.00 C ATOM 777 O ALA A 46 3.939 8.728 11.111 1.00 0.00 O ATOM 778 CB ALA A 46 5.659 11.506 11.214 1.00 0.00 C ATOM 0 H ALA A 46 5.815 11.838 8.755 1.00 0.00 H new ATOM 0 HA ALA A 46 6.242 9.586 10.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.559 11.142 12.237 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.648 11.944 11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.898 12.262 11.022 1.00 0.00 H new ATOM 784 N THR A 47 3.077 10.316 9.862 1.00 0.00 N ATOM 785 CA THR A 47 1.701 9.768 10.047 1.00 0.00 C ATOM 786 C THR A 47 1.370 8.657 9.032 1.00 0.00 C ATOM 787 O THR A 47 0.886 7.607 9.404 1.00 0.00 O ATOM 788 CB THR A 47 0.689 10.902 9.885 1.00 0.00 C ATOM 789 OG1 THR A 47 1.083 12.004 10.692 1.00 0.00 O ATOM 790 CG2 THR A 47 -0.696 10.418 10.318 1.00 0.00 C ATOM 0 H THR A 47 3.139 11.152 9.281 1.00 0.00 H new ATOM 0 HA THR A 47 1.651 9.332 11.045 1.00 0.00 H new ATOM 0 HB THR A 47 0.652 11.211 8.840 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.436 12.733 10.588 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.417 11.227 10.202 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.996 9.573 9.698 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.663 10.108 11.363 1.00 0.00 H new ATOM 798 N TRP A 48 1.567 8.882 7.756 1.00 0.00 N ATOM 799 CA TRP A 48 1.187 7.827 6.758 1.00 0.00 C ATOM 800 C TRP A 48 2.244 6.717 6.638 1.00 0.00 C ATOM 801 O TRP A 48 2.038 5.744 5.941 1.00 0.00 O ATOM 802 CB TRP A 48 0.922 8.464 5.385 1.00 0.00 C ATOM 803 CG TRP A 48 2.162 9.063 4.800 1.00 0.00 C ATOM 804 CD1 TRP A 48 2.449 10.385 4.779 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.267 8.395 4.119 1.00 0.00 C ATOM 806 NE1 TRP A 48 3.657 10.572 4.133 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.204 9.375 3.714 1.00 0.00 C ATOM 808 CE3 TRP A 48 3.548 7.048 3.822 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.376 9.031 3.038 1.00 0.00 C ATOM 810 CZ3 TRP A 48 4.727 6.699 3.142 1.00 0.00 C ATOM 811 CH2 TRP A 48 5.639 7.689 2.751 1.00 0.00 C ATOM 0 H TRP A 48 1.967 9.734 7.364 1.00 0.00 H new ATOM 0 HA TRP A 48 0.274 7.357 7.123 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.527 7.709 4.705 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.158 9.235 5.484 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.834 11.167 5.199 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.091 11.483 3.984 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.852 6.277 4.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.075 9.798 2.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 4.932 5.662 2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 48 6.544 7.415 2.229 1.00 0.00 H new ATOM 822 N LYS A 49 3.352 6.820 7.315 1.00 0.00 N ATOM 823 CA LYS A 49 4.373 5.735 7.225 1.00 0.00 C ATOM 824 C LYS A 49 4.128 4.732 8.352 1.00 0.00 C ATOM 825 O LYS A 49 4.234 3.536 8.166 1.00 0.00 O ATOM 826 CB LYS A 49 5.777 6.326 7.362 1.00 0.00 C ATOM 827 CG LYS A 49 6.808 5.195 7.329 1.00 0.00 C ATOM 828 CD LYS A 49 8.137 5.723 6.784 1.00 0.00 C ATOM 829 CE LYS A 49 9.005 4.547 6.331 1.00 0.00 C ATOM 830 NZ LYS A 49 10.435 4.966 6.303 1.00 0.00 N ATOM 0 H LYS A 49 3.596 7.602 7.923 1.00 0.00 H new ATOM 0 HA LYS A 49 4.293 5.237 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.968 7.031 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.860 6.882 8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.950 4.790 8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.446 4.379 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.957 6.399 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.655 6.297 7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.875 3.703 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.694 4.212 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.025 4.167 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.552 5.758 5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.728 5.266 7.255 1.00 0.00 H new ATOM 844 N ASN A 50 3.792 5.210 9.518 1.00 0.00 N ATOM 845 CA ASN A 50 3.530 4.283 10.653 1.00 0.00 C ATOM 846 C ASN A 50 2.156 3.638 10.463 1.00 0.00 C ATOM 847 O ASN A 50 1.936 2.500 10.826 1.00 0.00 O ATOM 848 CB ASN A 50 3.551 5.064 11.968 1.00 0.00 C ATOM 849 CG ASN A 50 4.676 4.534 12.858 1.00 0.00 C ATOM 850 OD1 ASN A 50 4.465 4.254 14.022 1.00 0.00 O ATOM 851 ND2 ASN A 50 5.871 4.380 12.357 1.00 0.00 N ATOM 0 H ASN A 50 3.688 6.202 9.733 1.00 0.00 H new ATOM 0 HA ASN A 50 4.299 3.511 10.682 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.699 6.126 11.770 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.593 4.965 12.477 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.627 4.025 12.942 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.049 4.615 11.380 1.00 0.00 H new ATOM 858 N ALA A 51 1.229 4.359 9.892 1.00 0.00 N ATOM 859 CA ALA A 51 -0.129 3.789 9.675 1.00 0.00 C ATOM 860 C ALA A 51 -0.076 2.771 8.535 1.00 0.00 C ATOM 861 O ALA A 51 -0.609 1.683 8.635 1.00 0.00 O ATOM 862 CB ALA A 51 -1.099 4.914 9.306 1.00 0.00 C ATOM 0 H ALA A 51 1.355 5.318 9.567 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.469 3.298 10.587 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.094 4.499 9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.135 5.643 10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.759 5.402 8.393 1.00 0.00 H new ATOM 868 N VAL A 52 0.565 3.114 7.451 1.00 0.00 N ATOM 869 CA VAL A 52 0.653 2.167 6.305 1.00 0.00 C ATOM 870 C VAL A 52 1.294 0.858 6.773 1.00 0.00 C ATOM 871 O VAL A 52 0.746 -0.211 6.592 1.00 0.00 O ATOM 872 CB VAL A 52 1.505 2.791 5.194 1.00 0.00 C ATOM 873 CG1 VAL A 52 1.914 1.716 4.186 1.00 0.00 C ATOM 874 CG2 VAL A 52 0.691 3.872 4.481 1.00 0.00 C ATOM 0 H VAL A 52 1.032 4.010 7.310 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.347 1.962 5.922 1.00 0.00 H new ATOM 0 HB VAL A 52 2.401 3.231 5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.519 2.166 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.493 0.944 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.021 1.270 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.293 4.319 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.205 3.427 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.403 4.642 5.197 1.00 0.00 H new ATOM 884 N ARG A 53 2.452 0.931 7.369 1.00 0.00 N ATOM 885 CA ARG A 53 3.123 -0.312 7.842 1.00 0.00 C ATOM 886 C ARG A 53 2.230 -1.015 8.865 1.00 0.00 C ATOM 887 O ARG A 53 2.218 -2.225 8.965 1.00 0.00 O ATOM 888 CB ARG A 53 4.462 0.043 8.492 1.00 0.00 C ATOM 889 CG ARG A 53 5.521 0.245 7.407 1.00 0.00 C ATOM 890 CD ARG A 53 6.680 -0.726 7.639 1.00 0.00 C ATOM 891 NE ARG A 53 7.973 -0.001 7.493 1.00 0.00 N ATOM 892 CZ ARG A 53 8.737 0.186 8.534 1.00 0.00 C ATOM 893 NH1 ARG A 53 8.210 0.275 9.724 1.00 0.00 N ATOM 894 NH2 ARG A 53 10.030 0.285 8.384 1.00 0.00 N ATOM 0 H ARG A 53 2.962 1.796 7.549 1.00 0.00 H new ATOM 0 HA ARG A 53 3.297 -0.975 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.359 0.950 9.088 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.770 -0.752 9.172 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.084 0.078 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.884 1.273 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.607 -1.164 8.634 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.629 -1.547 6.924 1.00 0.00 H new ATOM 0 HE ARG A 53 8.261 0.349 6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.200 0.198 9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.808 0.421 10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.442 0.216 7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.628 0.431 9.197 1.00 0.00 H new ATOM 908 N HIS A 54 1.474 -0.271 9.624 1.00 0.00 N ATOM 909 CA HIS A 54 0.581 -0.918 10.622 1.00 0.00 C ATOM 910 C HIS A 54 -0.384 -1.839 9.878 1.00 0.00 C ATOM 911 O HIS A 54 -0.664 -2.942 10.303 1.00 0.00 O ATOM 912 CB HIS A 54 -0.208 0.151 11.381 1.00 0.00 C ATOM 913 CG HIS A 54 -1.309 -0.503 12.171 1.00 0.00 C ATOM 914 ND1 HIS A 54 -1.054 -1.310 13.269 1.00 0.00 N ATOM 915 CD2 HIS A 54 -2.676 -0.479 12.035 1.00 0.00 C ATOM 916 CE1 HIS A 54 -2.238 -1.732 13.746 1.00 0.00 C ATOM 917 NE2 HIS A 54 -3.260 -1.256 13.031 1.00 0.00 N ATOM 0 H HIS A 54 1.436 0.748 9.596 1.00 0.00 H new ATOM 0 HA HIS A 54 1.172 -1.491 11.337 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.455 0.702 12.048 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.628 0.873 10.681 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.216 0.061 11.271 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.349 -2.378 14.604 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -4.254 -1.425 13.182 1.00 0.00 H new ATOM 925 N ASN A 55 -0.895 -1.388 8.765 1.00 0.00 N ATOM 926 CA ASN A 55 -1.844 -2.228 7.983 1.00 0.00 C ATOM 927 C ASN A 55 -1.134 -3.476 7.431 1.00 0.00 C ATOM 928 O ASN A 55 -1.624 -4.579 7.558 1.00 0.00 O ATOM 929 CB ASN A 55 -2.399 -1.403 6.820 1.00 0.00 C ATOM 930 CG ASN A 55 -3.778 -0.858 7.194 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.100 -0.734 8.359 1.00 0.00 O ATOM 932 ND2 ASN A 55 -4.615 -0.526 6.249 1.00 0.00 N ATOM 0 H ASN A 55 -0.695 -0.472 8.363 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.655 -2.550 8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.722 -0.581 6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.471 -2.020 5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.538 -0.163 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.346 -0.629 5.270 1.00 0.00 H new ATOM 939 N LEU A 56 0.002 -3.315 6.798 1.00 0.00 N ATOM 940 CA LEU A 56 0.710 -4.504 6.221 1.00 0.00 C ATOM 941 C LEU A 56 1.104 -5.501 7.320 1.00 0.00 C ATOM 942 O LEU A 56 1.090 -6.697 7.107 1.00 0.00 O ATOM 943 CB LEU A 56 1.954 -4.050 5.438 1.00 0.00 C ATOM 944 CG LEU A 56 2.917 -3.288 6.340 1.00 0.00 C ATOM 945 CD1 LEU A 56 3.666 -4.260 7.255 1.00 0.00 C ATOM 946 CD2 LEU A 56 3.930 -2.545 5.465 1.00 0.00 C ATOM 0 H LEU A 56 0.468 -2.419 6.656 1.00 0.00 H new ATOM 0 HA LEU A 56 0.026 -5.010 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.458 -4.918 5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.652 -3.416 4.604 1.00 0.00 H new ATOM 0 HG LEU A 56 2.355 -2.584 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.351 -3.703 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.951 -4.801 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.231 -4.969 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.625 -1.995 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.482 -3.263 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.405 -1.847 4.813 1.00 0.00 H new ATOM 958 N SER A 57 1.456 -5.036 8.485 1.00 0.00 N ATOM 959 CA SER A 57 1.849 -5.978 9.570 1.00 0.00 C ATOM 960 C SER A 57 0.615 -6.732 10.072 1.00 0.00 C ATOM 961 O SER A 57 0.666 -7.915 10.343 1.00 0.00 O ATOM 962 CB SER A 57 2.475 -5.193 10.724 1.00 0.00 C ATOM 963 OG SER A 57 3.791 -4.794 10.361 1.00 0.00 O ATOM 0 H SER A 57 1.489 -4.047 8.733 1.00 0.00 H new ATOM 0 HA SER A 57 2.573 -6.694 9.182 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.868 -4.318 10.955 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.504 -5.808 11.624 1.00 0.00 H new ATOM 0 HG SER A 57 4.195 -4.289 11.098 1.00 0.00 H new ATOM 969 N LEU A 58 -0.494 -6.058 10.204 1.00 0.00 N ATOM 970 CA LEU A 58 -1.727 -6.738 10.695 1.00 0.00 C ATOM 971 C LEU A 58 -2.497 -7.338 9.513 1.00 0.00 C ATOM 972 O LEU A 58 -3.028 -8.428 9.597 1.00 0.00 O ATOM 973 CB LEU A 58 -2.612 -5.717 11.416 1.00 0.00 C ATOM 974 CG LEU A 58 -3.839 -6.420 12.001 1.00 0.00 C ATOM 975 CD1 LEU A 58 -3.818 -6.296 13.527 1.00 0.00 C ATOM 976 CD2 LEU A 58 -5.108 -5.763 11.455 1.00 0.00 C ATOM 0 H LEU A 58 -0.600 -5.066 9.993 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.450 -7.537 11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.047 -5.229 12.210 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.924 -4.937 10.721 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.824 -7.473 11.721 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.692 -6.796 13.945 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.912 -6.761 13.917 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.835 -5.243 13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.984 -6.262 11.870 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.123 -4.710 11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.123 -5.848 10.368 1.00 0.00 H new ATOM 988 N HIS A 59 -2.566 -6.636 8.415 1.00 0.00 N ATOM 989 CA HIS A 59 -3.308 -7.165 7.232 1.00 0.00 C ATOM 990 C HIS A 59 -2.696 -8.493 6.783 1.00 0.00 C ATOM 991 O HIS A 59 -1.567 -8.552 6.336 1.00 0.00 O ATOM 992 CB HIS A 59 -3.230 -6.158 6.085 1.00 0.00 C ATOM 993 CG HIS A 59 -4.133 -4.990 6.378 1.00 0.00 C ATOM 994 ND1 HIS A 59 -5.158 -5.059 7.309 1.00 0.00 N ATOM 995 CD2 HIS A 59 -4.178 -3.716 5.867 1.00 0.00 C ATOM 996 CE1 HIS A 59 -5.771 -3.861 7.327 1.00 0.00 C ATOM 997 NE2 HIS A 59 -5.213 -3.006 6.467 1.00 0.00 N ATOM 0 H HIS A 59 -2.141 -5.718 8.285 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.350 -7.324 7.509 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.203 -5.814 5.958 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.525 -6.633 5.149 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -5.403 -5.870 7.877 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.511 -3.325 5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.612 -3.621 7.960 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.438 -9.560 6.895 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.912 -10.887 6.476 1.00 0.00 C ATOM 1007 C LYS A 60 -2.984 -11.013 4.952 1.00 0.00 C ATOM 1008 O LYS A 60 -2.379 -11.888 4.365 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.757 -11.989 7.118 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.841 -13.017 7.783 1.00 0.00 C ATOM 1011 CD LYS A 60 -3.692 -14.096 8.456 1.00 0.00 C ATOM 1012 CE LYS A 60 -3.217 -15.478 8.004 1.00 0.00 C ATOM 1013 NZ LYS A 60 -4.316 -16.164 7.267 1.00 0.00 N ATOM 0 H LYS A 60 -4.390 -9.569 7.261 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.875 -10.984 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.434 -11.559 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.376 -12.473 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.183 -13.468 7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.203 -12.529 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.616 -14.010 9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.742 -13.959 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.340 -15.382 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.918 -16.072 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.915 -16.902 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.972 -16.598 7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.829 -15.471 6.685 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.718 -10.149 4.304 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.817 -10.232 2.819 1.00 0.00 C ATOM 1029 C TYR A 61 -2.537 -9.674 2.195 1.00 0.00 C ATOM 1030 O TYR A 61 -2.223 -9.943 1.052 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.028 -9.429 2.334 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.798 -7.955 2.570 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.885 -7.249 1.776 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.508 -7.289 3.577 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.680 -5.882 1.992 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.304 -5.922 3.792 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.391 -5.218 2.999 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.190 -3.870 3.208 1.00 0.00 O ATOM 0 H TYR A 61 -4.250 -9.394 4.736 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.941 -11.273 2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.196 -9.614 1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.925 -9.754 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.339 -7.760 0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.214 -7.832 4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.973 -5.339 1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.851 -5.410 4.570 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.469 -3.552 2.625 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.790 -8.907 2.940 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.522 -8.340 2.397 1.00 0.00 C ATOM 1050 C PHE A 62 0.582 -9.394 2.534 1.00 0.00 C ATOM 1051 O PHE A 62 0.796 -9.936 3.600 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.134 -7.105 3.210 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.604 -5.843 2.520 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.470 -5.696 1.133 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.158 -4.808 3.281 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.891 -4.511 0.513 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.580 -3.628 2.663 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.444 -3.477 1.278 1.00 0.00 C ATOM 0 H PHE A 62 -2.003 -8.648 3.903 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.654 -8.064 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.573 -7.166 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.948 -7.074 3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.043 -6.494 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.260 -4.921 4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.789 -4.396 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.011 -2.833 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.765 -2.564 0.800 1.00 0.00 H new ATOM 1068 N VAL A 63 1.284 -9.697 1.475 1.00 0.00 N ATOM 1069 CA VAL A 63 2.362 -10.720 1.584 1.00 0.00 C ATOM 1070 C VAL A 63 3.690 -10.124 1.115 1.00 0.00 C ATOM 1071 O VAL A 63 3.732 -9.287 0.235 1.00 0.00 O ATOM 1072 CB VAL A 63 2.007 -11.935 0.722 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.239 -12.828 0.555 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.894 -12.734 1.405 1.00 0.00 C ATOM 0 H VAL A 63 1.160 -9.286 0.550 1.00 0.00 H new ATOM 0 HA VAL A 63 2.458 -11.032 2.624 1.00 0.00 H new ATOM 0 HB VAL A 63 1.670 -11.596 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.982 -13.691 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.035 -12.263 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.578 -13.167 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.639 -13.599 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.235 -13.070 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.014 -12.103 1.524 1.00 0.00 H new ATOM 1084 N ARG A 64 4.779 -10.551 1.698 1.00 0.00 N ATOM 1085 CA ARG A 64 6.106 -10.012 1.288 1.00 0.00 C ATOM 1086 C ARG A 64 6.950 -11.137 0.683 1.00 0.00 C ATOM 1087 O ARG A 64 7.325 -12.076 1.357 1.00 0.00 O ATOM 1088 CB ARG A 64 6.824 -9.440 2.513 1.00 0.00 C ATOM 1089 CG ARG A 64 6.677 -10.404 3.691 1.00 0.00 C ATOM 1090 CD ARG A 64 8.019 -10.535 4.415 1.00 0.00 C ATOM 1091 NE ARG A 64 7.779 -10.718 5.874 1.00 0.00 N ATOM 1092 CZ ARG A 64 8.772 -10.629 6.715 1.00 0.00 C ATOM 1093 NH1 ARG A 64 9.231 -9.458 7.062 1.00 0.00 N ATOM 1094 NH2 ARG A 64 9.308 -11.712 7.208 1.00 0.00 N ATOM 0 H ARG A 64 4.805 -11.250 2.440 1.00 0.00 H new ATOM 0 HA ARG A 64 5.965 -9.225 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.879 -9.283 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.405 -8.468 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.914 -10.040 4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.346 -11.380 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.578 -11.383 4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.625 -9.646 4.244 1.00 0.00 H new ATOM 0 HE ARG A 64 6.838 -10.913 6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.813 -8.612 6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.008 -9.389 7.720 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.950 -12.628 6.936 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.085 -11.643 7.866 1.00 0.00 H new ATOM 1108 N VAL A 65 7.247 -11.051 -0.585 1.00 0.00 N ATOM 1109 CA VAL A 65 8.060 -12.111 -1.232 1.00 0.00 C ATOM 1110 C VAL A 65 9.534 -11.699 -1.236 1.00 0.00 C ATOM 1111 O VAL A 65 9.898 -10.669 -1.767 1.00 0.00 O ATOM 1112 CB VAL A 65 7.584 -12.314 -2.671 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.237 -13.569 -3.253 1.00 0.00 C ATOM 1114 CG2 VAL A 65 6.064 -12.478 -2.687 1.00 0.00 C ATOM 0 H VAL A 65 6.959 -10.289 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 65 7.946 -13.042 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 65 7.863 -11.448 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.898 -13.713 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.321 -13.454 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.959 -14.436 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.724 -12.623 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.785 -13.344 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.597 -11.584 -2.273 1.00 0.00 H new ATOM 1124 N GLU A 66 10.384 -12.497 -0.650 1.00 0.00 N ATOM 1125 CA GLU A 66 11.832 -12.150 -0.623 1.00 0.00 C ATOM 1126 C GLU A 66 12.359 -12.066 -2.057 1.00 0.00 C ATOM 1127 O GLU A 66 12.052 -12.896 -2.890 1.00 0.00 O ATOM 1128 CB GLU A 66 12.602 -13.229 0.143 1.00 0.00 C ATOM 1129 CG GLU A 66 14.003 -12.714 0.482 1.00 0.00 C ATOM 1130 CD GLU A 66 13.982 -12.044 1.857 1.00 0.00 C ATOM 1131 OE1 GLU A 66 13.139 -12.410 2.660 1.00 0.00 O ATOM 1132 OE2 GLU A 66 14.810 -11.177 2.086 1.00 0.00 O ATOM 0 H GLU A 66 10.138 -13.373 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 66 11.968 -11.189 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.069 -13.492 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.672 -14.136 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.716 -13.539 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.334 -12.003 -0.275 1.00 0.00 H new ATOM 1139 N ASN A 67 13.153 -11.075 -2.352 1.00 0.00 N ATOM 1140 CA ASN A 67 13.699 -10.943 -3.725 1.00 0.00 C ATOM 1141 C ASN A 67 15.215 -10.755 -3.655 1.00 0.00 C ATOM 1142 O ASN A 67 15.812 -10.830 -2.599 1.00 0.00 O ATOM 1143 CB ASN A 67 13.061 -9.740 -4.422 1.00 0.00 C ATOM 1144 CG ASN A 67 12.524 -10.164 -5.789 1.00 0.00 C ATOM 1145 OD1 ASN A 67 11.985 -11.244 -5.936 1.00 0.00 O ATOM 1146 ND2 ASN A 67 12.646 -9.353 -6.805 1.00 0.00 N ATOM 0 H ASN A 67 13.446 -10.350 -1.697 1.00 0.00 H new ATOM 0 HA ASN A 67 13.472 -11.846 -4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.252 -9.340 -3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.796 -8.944 -4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.289 -9.626 -7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.098 -8.447 -6.683 1.00 0.00 H new ATOM 1153 N VAL A 68 15.844 -10.517 -4.772 1.00 0.00 N ATOM 1154 CA VAL A 68 17.319 -10.333 -4.774 1.00 0.00 C ATOM 1155 C VAL A 68 17.685 -9.008 -4.096 1.00 0.00 C ATOM 1156 O VAL A 68 18.616 -8.937 -3.321 1.00 0.00 O ATOM 1157 CB VAL A 68 17.826 -10.326 -6.216 1.00 0.00 C ATOM 1158 CG1 VAL A 68 19.327 -10.031 -6.230 1.00 0.00 C ATOM 1159 CG2 VAL A 68 17.571 -11.695 -6.851 1.00 0.00 C ATOM 0 H VAL A 68 15.397 -10.442 -5.686 1.00 0.00 H new ATOM 0 HA VAL A 68 17.783 -11.152 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 68 17.300 -9.557 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.687 -10.026 -7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 68 19.511 -9.057 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.854 -10.799 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.932 -11.692 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.097 -12.463 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.502 -11.907 -6.842 1.00 0.00 H new ATOM 1169 N LYS A 69 16.970 -7.956 -4.391 1.00 0.00 N ATOM 1170 CA LYS A 69 17.291 -6.645 -3.770 1.00 0.00 C ATOM 1171 C LYS A 69 16.352 -6.373 -2.592 1.00 0.00 C ATOM 1172 O LYS A 69 16.178 -5.245 -2.175 1.00 0.00 O ATOM 1173 CB LYS A 69 17.139 -5.533 -4.811 1.00 0.00 C ATOM 1174 CG LYS A 69 18.273 -4.520 -4.645 1.00 0.00 C ATOM 1175 CD LYS A 69 18.634 -3.925 -6.008 1.00 0.00 C ATOM 1176 CE LYS A 69 19.361 -2.595 -5.808 1.00 0.00 C ATOM 1177 NZ LYS A 69 19.062 -1.688 -6.951 1.00 0.00 N ATOM 0 H LYS A 69 16.179 -7.951 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 69 18.318 -6.669 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.159 -5.956 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.175 -5.038 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.969 -3.728 -3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 69 19.145 -5.004 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.267 -4.618 -6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.732 -3.773 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.046 -2.134 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.435 -2.763 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.557 -0.783 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.383 -2.128 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.037 -1.518 -7.001 1.00 0.00 H new ATOM 1191 N GLY A 70 15.745 -7.393 -2.047 1.00 0.00 N ATOM 1192 CA GLY A 70 14.827 -7.181 -0.900 1.00 0.00 C ATOM 1193 C GLY A 70 13.492 -7.875 -1.173 1.00 0.00 C ATOM 1194 O GLY A 70 13.297 -8.484 -2.205 1.00 0.00 O ATOM 0 H GLY A 70 15.848 -8.362 -2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.273 -7.576 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.668 -6.114 -0.742 1.00 0.00 H new ATOM 1198 N ALA A 71 12.570 -7.791 -0.252 1.00 0.00 N ATOM 1199 CA ALA A 71 11.252 -8.446 -0.455 1.00 0.00 C ATOM 1200 C ALA A 71 10.294 -7.474 -1.150 1.00 0.00 C ATOM 1201 O ALA A 71 10.483 -6.274 -1.122 1.00 0.00 O ATOM 1202 CB ALA A 71 10.673 -8.854 0.902 1.00 0.00 C ATOM 0 H ALA A 71 12.676 -7.295 0.633 1.00 0.00 H new ATOM 0 HA ALA A 71 11.380 -9.331 -1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.706 -9.335 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.353 -9.550 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.547 -7.968 1.525 1.00 0.00 H new ATOM 1208 N VAL A 72 9.264 -7.985 -1.772 1.00 0.00 N ATOM 1209 CA VAL A 72 8.293 -7.091 -2.466 1.00 0.00 C ATOM 1210 C VAL A 72 6.952 -7.128 -1.732 1.00 0.00 C ATOM 1211 O VAL A 72 6.632 -8.086 -1.058 1.00 0.00 O ATOM 1212 CB VAL A 72 8.097 -7.573 -3.904 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.281 -7.123 -4.759 1.00 0.00 C ATOM 1214 CG2 VAL A 72 8.008 -9.101 -3.918 1.00 0.00 C ATOM 0 H VAL A 72 9.054 -8.982 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 72 8.678 -6.071 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 72 7.177 -7.150 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.141 -7.467 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.346 -6.035 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.202 -7.546 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.868 -9.448 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.928 -9.523 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.164 -9.422 -3.308 1.00 0.00 H new ATOM 1224 N TRP A 73 6.167 -6.091 -1.846 1.00 0.00 N ATOM 1225 CA TRP A 73 4.856 -6.075 -1.144 1.00 0.00 C ATOM 1226 C TRP A 73 3.727 -6.472 -2.100 1.00 0.00 C ATOM 1227 O TRP A 73 3.562 -5.893 -3.151 1.00 0.00 O ATOM 1228 CB TRP A 73 4.586 -4.681 -0.574 1.00 0.00 C ATOM 1229 CG TRP A 73 5.264 -4.554 0.751 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.185 -3.615 1.066 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.093 -5.377 1.940 1.00 0.00 C ATOM 1232 NE1 TRP A 73 6.589 -3.808 2.375 1.00 0.00 N ATOM 1233 CE2 TRP A 73 5.944 -4.883 2.956 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.289 -6.492 2.233 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 5.998 -5.476 4.218 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.339 -7.092 3.502 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.191 -6.584 4.492 1.00 0.00 C ATOM 0 H TRP A 73 6.378 -5.257 -2.394 1.00 0.00 H new ATOM 0 HA TRP A 73 4.892 -6.797 -0.329 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.954 -3.917 -1.259 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.513 -4.521 -0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.546 -2.841 0.404 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.279 -3.228 2.853 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.628 -6.890 1.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 6.658 -5.082 4.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 3.718 -7.949 3.716 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.224 -7.048 5.466 1.00 0.00 H new ATOM 1248 N THR A 74 2.946 -7.461 -1.745 1.00 0.00 N ATOM 1249 CA THR A 74 1.845 -7.886 -2.641 1.00 0.00 C ATOM 1250 C THR A 74 0.556 -8.093 -1.844 1.00 0.00 C ATOM 1251 O THR A 74 0.560 -8.120 -0.629 1.00 0.00 O ATOM 1252 CB THR A 74 2.235 -9.199 -3.317 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.074 -9.816 -3.856 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.884 -10.128 -2.293 1.00 0.00 C ATOM 0 H THR A 74 3.028 -7.987 -0.875 1.00 0.00 H new ATOM 0 HA THR A 74 1.675 -7.111 -3.389 1.00 0.00 H new ATOM 0 HB THR A 74 2.944 -8.999 -4.120 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.710 -9.257 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.162 -11.065 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.775 -9.652 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.179 -10.331 -1.487 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.547 -8.245 -2.526 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.842 -8.457 -1.821 1.00 0.00 C ATOM 1264 C VAL A 75 -2.473 -9.768 -2.298 1.00 0.00 C ATOM 1265 O VAL A 75 -2.322 -10.160 -3.438 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.792 -7.298 -2.128 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -4.063 -7.445 -1.287 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -2.107 -5.973 -1.787 1.00 0.00 C ATOM 0 H VAL A 75 -0.606 -8.231 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.663 -8.505 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.052 -7.311 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.741 -6.620 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.552 -8.389 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.803 -7.431 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.784 -5.147 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.848 -5.959 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.201 -5.868 -2.384 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.183 -10.446 -1.438 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.825 -11.728 -1.849 1.00 0.00 C ATOM 1280 C ASP A 76 -5.334 -11.514 -1.995 1.00 0.00 C ATOM 1281 O ASP A 76 -5.993 -11.035 -1.094 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.559 -12.798 -0.788 1.00 0.00 C ATOM 1283 CG ASP A 76 -2.091 -13.225 -0.853 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -1.242 -12.349 -0.905 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -1.841 -14.418 -0.853 1.00 0.00 O ATOM 0 H ASP A 76 -3.346 -10.169 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.409 -12.055 -2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.792 -12.409 0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.207 -13.659 -0.953 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.884 -11.861 -3.127 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.348 -11.672 -3.332 1.00 0.00 C ATOM 1292 C GLU A 77 -8.124 -12.522 -2.324 1.00 0.00 C ATOM 1293 O GLU A 77 -9.140 -12.106 -1.801 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.725 -12.096 -4.754 1.00 0.00 C ATOM 1295 CG GLU A 77 -9.184 -11.728 -5.025 1.00 0.00 C ATOM 1296 CD GLU A 77 -9.554 -12.123 -6.457 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -8.653 -12.454 -7.210 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -10.731 -12.087 -6.774 1.00 0.00 O ATOM 0 H GLU A 77 -5.383 -12.267 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.599 -10.621 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.074 -11.603 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.581 -13.170 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.836 -12.238 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.333 -10.658 -4.882 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.653 -13.704 -2.040 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.364 -14.570 -1.063 1.00 0.00 C ATOM 1307 C VAL A 78 -8.413 -13.859 0.286 1.00 0.00 C ATOM 1308 O VAL A 78 -9.467 -13.629 0.845 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.608 -15.889 -0.911 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -8.463 -16.883 -0.123 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.302 -16.461 -2.296 1.00 0.00 C ATOM 0 H VAL A 78 -6.807 -14.106 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.376 -14.769 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.675 -15.714 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.922 -17.823 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.680 -16.474 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.398 -17.061 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.763 -17.402 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.235 -16.636 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.690 -15.753 -2.855 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.274 -13.507 0.808 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.236 -12.807 2.120 1.00 0.00 C ATOM 1323 C GLU A 79 -7.832 -11.406 1.969 1.00 0.00 C ATOM 1324 O GLU A 79 -8.631 -10.971 2.775 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.788 -12.697 2.598 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.422 -13.942 3.408 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.160 -13.915 4.747 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -6.554 -12.839 5.164 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -6.320 -14.974 5.335 1.00 0.00 O ATOM 0 H GLU A 79 -6.363 -13.675 0.381 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.817 -13.372 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.119 -12.596 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.662 -11.803 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.688 -14.841 2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.345 -13.977 3.575 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.449 -10.695 0.943 1.00 0.00 N ATOM 1337 CA PHE A 80 -7.994 -9.324 0.745 1.00 0.00 C ATOM 1338 C PHE A 80 -9.520 -9.391 0.667 1.00 0.00 C ATOM 1339 O PHE A 80 -10.217 -8.550 1.199 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.439 -8.740 -0.555 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.709 -7.254 -0.597 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -6.905 -6.375 0.138 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -8.761 -6.757 -1.375 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -7.154 -4.998 0.096 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -9.010 -5.379 -1.416 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.206 -4.500 -0.680 1.00 0.00 C ATOM 0 H PHE A 80 -6.783 -11.005 0.235 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.701 -8.689 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.367 -8.927 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.902 -9.229 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.093 -6.759 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -9.380 -7.435 -1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.534 -4.320 0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.822 -4.995 -2.015 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.398 -3.438 -0.711 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.044 -10.387 0.008 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.523 -10.513 -0.106 1.00 0.00 C ATOM 1358 C GLN A 81 -12.103 -10.941 1.245 1.00 0.00 C ATOM 1359 O GLN A 81 -13.252 -10.686 1.547 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.862 -11.567 -1.164 1.00 0.00 C ATOM 1361 CG GLN A 81 -13.380 -11.662 -1.327 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.715 -12.784 -2.311 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -13.356 -13.924 -2.095 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -14.394 -12.508 -3.391 1.00 0.00 N ATOM 0 H GLN A 81 -9.510 -11.121 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.950 -9.553 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.400 -11.303 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.457 -12.535 -0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.849 -11.857 -0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.778 -10.714 -1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.696 -11.551 -3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.623 -13.250 -4.053 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.313 -11.586 2.062 1.00 0.00 N ATOM 1374 CA LYS A 82 -11.817 -12.026 3.393 1.00 0.00 C ATOM 1375 C LYS A 82 -12.478 -10.843 4.100 1.00 0.00 C ATOM 1376 O LYS A 82 -13.677 -10.814 4.297 1.00 0.00 O ATOM 1377 CB LYS A 82 -10.647 -12.533 4.238 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.183 -13.232 5.488 1.00 0.00 C ATOM 1379 CD LYS A 82 -11.467 -14.701 5.168 1.00 0.00 C ATOM 1380 CE LYS A 82 -10.152 -15.423 4.874 1.00 0.00 C ATOM 1381 NZ LYS A 82 -10.363 -16.896 4.964 1.00 0.00 N ATOM 0 H LYS A 82 -10.342 -11.826 1.864 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.545 -12.827 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.037 -13.224 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.003 -11.701 4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.457 -13.159 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.094 -12.741 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.975 -15.175 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.134 -14.775 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.793 -15.156 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.386 -15.110 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.469 -17.388 4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.687 -17.142 5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.081 -17.187 4.270 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.705 -9.863 4.480 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.282 -8.684 5.169 1.00 0.00 C ATOM 1397 C ARG A 83 -12.194 -7.464 4.250 1.00 0.00 C ATOM 1398 O ARG A 83 -11.457 -6.533 4.509 1.00 0.00 O ATOM 1399 CB ARG A 83 -11.507 -8.412 6.459 1.00 0.00 C ATOM 1400 CG ARG A 83 -12.423 -7.709 7.463 1.00 0.00 C ATOM 1401 CD ARG A 83 -13.195 -8.756 8.267 1.00 0.00 C ATOM 1402 NE ARG A 83 -14.255 -8.082 9.069 1.00 0.00 N ATOM 1403 CZ ARG A 83 -14.037 -7.793 10.321 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -13.253 -6.798 10.634 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -14.603 -8.497 11.263 1.00 0.00 N ATOM 0 H ARG A 83 -10.695 -9.832 4.340 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.326 -8.881 5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.139 -9.348 6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.635 -7.792 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.834 -7.082 8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.117 -7.052 6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.642 -9.489 7.596 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.516 -9.299 8.925 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.150 -7.847 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.811 -6.246 9.899 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.082 -6.572 11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.217 -9.274 11.020 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.432 -8.270 12.242 1.00 0.00 H new ATOM 1419 N ARG A 84 -12.938 -7.462 3.179 1.00 0.00 N ATOM 1420 CA ARG A 84 -12.895 -6.304 2.251 1.00 0.00 C ATOM 1421 C ARG A 84 -14.325 -5.924 1.820 1.00 0.00 C ATOM 1422 O ARG A 84 -14.816 -4.886 2.219 1.00 0.00 O ATOM 1423 CB ARG A 84 -12.010 -6.645 1.041 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.428 -5.816 -0.178 1.00 0.00 C ATOM 1425 CD ARG A 84 -12.230 -4.329 0.126 1.00 0.00 C ATOM 1426 NE ARG A 84 -11.998 -3.588 -1.145 1.00 0.00 N ATOM 1427 CZ ARG A 84 -13.013 -3.148 -1.839 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -13.819 -2.261 -1.323 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -13.220 -3.596 -3.047 1.00 0.00 N ATOM 0 H ARG A 84 -13.573 -8.213 2.909 1.00 0.00 H new ATOM 0 HA ARG A 84 -12.460 -5.441 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.965 -6.449 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.091 -7.707 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.836 -6.103 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -13.471 -6.012 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.107 -3.931 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.382 -4.194 0.798 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.046 -3.424 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.656 -1.912 -0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.612 -1.917 -1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.589 -4.290 -3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.013 -3.253 -3.589 1.00 0.00 H new ATOM 1443 N PRO A 85 -14.966 -6.760 1.031 1.00 0.00 N ATOM 1444 CA PRO A 85 -16.345 -6.491 0.574 1.00 0.00 C ATOM 1445 C PRO A 85 -17.336 -6.669 1.727 1.00 0.00 C ATOM 1446 O PRO A 85 -17.991 -7.685 1.849 1.00 0.00 O ATOM 1447 CB PRO A 85 -16.578 -7.536 -0.520 1.00 0.00 C ATOM 1448 CG PRO A 85 -15.569 -8.672 -0.252 1.00 0.00 C ATOM 1449 CD PRO A 85 -14.406 -8.036 0.529 1.00 0.00 C ATOM 0 HA PRO A 85 -16.484 -5.472 0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -17.602 -7.909 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -16.425 -7.105 -1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -16.030 -9.475 0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -15.218 -9.109 -1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.077 -8.677 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -13.540 -7.867 -0.111 1.00 0.00 H new ATOM 1457 N GLN A 86 -17.447 -5.683 2.574 1.00 0.00 N ATOM 1458 CA GLN A 86 -18.392 -5.782 3.722 1.00 0.00 C ATOM 1459 C GLN A 86 -19.809 -6.033 3.200 1.00 0.00 C ATOM 1460 O GLN A 86 -20.364 -5.233 2.474 1.00 0.00 O ATOM 1461 CB GLN A 86 -18.369 -4.472 4.510 1.00 0.00 C ATOM 1462 CG GLN A 86 -18.637 -3.302 3.561 1.00 0.00 C ATOM 1463 CD GLN A 86 -18.051 -2.020 4.152 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -18.768 -1.072 4.408 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -16.769 -1.949 4.382 1.00 0.00 N ATOM 0 H GLN A 86 -16.922 -4.810 2.520 1.00 0.00 H new ATOM 0 HA GLN A 86 -18.092 -6.606 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -19.122 -4.495 5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -17.402 -4.345 4.997 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -18.192 -3.502 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -19.709 -3.186 3.404 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -16.168 -2.744 4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -16.368 -1.098 4.777 1.00 0.00 H new ATOM 1474 N LYS A 87 -20.398 -7.139 3.563 1.00 0.00 N ATOM 1475 CA LYS A 87 -21.775 -7.438 3.088 1.00 0.00 C ATOM 1476 C LYS A 87 -22.778 -6.562 3.843 1.00 0.00 C ATOM 1477 O LYS A 87 -22.520 -6.258 4.996 1.00 0.00 O ATOM 1478 CB LYS A 87 -22.093 -8.913 3.338 1.00 0.00 C ATOM 1479 CG LYS A 87 -22.054 -9.200 4.840 1.00 0.00 C ATOM 1480 CD LYS A 87 -21.175 -10.424 5.102 1.00 0.00 C ATOM 1481 CE LYS A 87 -21.857 -11.335 6.124 1.00 0.00 C ATOM 1482 NZ LYS A 87 -21.091 -11.309 7.402 1.00 0.00 N ATOM 1483 OXT LYS A 87 -23.786 -6.208 3.253 1.00 0.00 O ATOM 0 H LYS A 87 -19.984 -7.848 4.168 1.00 0.00 H new ATOM 0 HA LYS A 87 -21.844 -7.229 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -23.077 -9.156 2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -21.372 -9.544 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -21.662 -8.336 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -23.063 -9.376 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -21.004 -10.967 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -20.199 -10.111 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -22.882 -11.005 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -21.910 -12.354 5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -21.554 -11.928 8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.121 -11.644 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -21.062 -10.337 7.770 1.00 0.00 H new TER 1497 LYS A 87