USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 122 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= 1.37 (180deg=-0.983) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -3.3 K(o=-3.3,f=-3.9) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 56 THR OG1 : rot -125:sc= 1.11 USER MOD Single : A 63 THR OG1 : rot -140:sc= -0.39 USER MOD Single : A 71 THR OG1 : rot -59:sc= 0.74 USER MOD Single : A 74 ASN : amide:sc= -0.629 K(o=-0.63,f=0.053) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -173:sc= -2.12 (180deg=-2.15) USER MOD Single : A 91 GLN : amide:sc= -0.755 K(o=-0.76,f=-1.7!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 100 HIS : no HE2:sc= -2.07 K(o=-2.1,f=-3.1!) USER MOD Single : A 101 TYR OH : rot 30:sc= -1.33 USER MOD Single : A 102 ASN : amide:sc= -1.96 K(o=-2,f=-1.3) USER MOD Single : A 103 LYS NZ :NH3+ 166:sc= -1.14 (180deg=-1.41) USER MOD Single : B 124 LYS NZ :NH3+ 154:sc= -1.22 (180deg=-2.33!) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 0.057 -5.927 -8.721 1.00 0.00 N ATOM 16 CA VAL A 19 -0.427 -4.640 -9.203 1.00 0.00 C ATOM 17 C VAL A 19 0.438 -3.495 -8.675 1.00 0.00 C ATOM 18 O VAL A 19 0.284 -3.071 -7.529 1.00 0.00 O ATOM 19 CB VAL A 19 -1.889 -4.397 -8.783 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.439 -3.149 -9.454 1.00 0.00 C ATOM 21 CG2 VAL A 19 -2.746 -5.609 -9.110 1.00 0.00 C ATOM 0 HA VAL A 19 -0.368 -4.667 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.916 -4.241 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.473 -2.995 -9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.841 -2.286 -9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.399 -3.270 -10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.776 -5.419 -8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.713 -5.799 -10.183 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.365 -6.479 -8.576 1.00 0.00 H new ATOM 31 N PRO A 20 1.364 -2.977 -9.502 1.00 0.00 N ATOM 32 CA PRO A 20 2.250 -1.879 -9.103 1.00 0.00 C ATOM 33 C PRO A 20 1.494 -0.570 -8.904 1.00 0.00 C ATOM 34 O PRO A 20 0.903 -0.033 -9.840 1.00 0.00 O ATOM 35 CB PRO A 20 3.228 -1.760 -10.274 1.00 0.00 C ATOM 36 CG PRO A 20 2.497 -2.330 -11.440 1.00 0.00 C ATOM 37 CD PRO A 20 1.621 -3.419 -10.886 1.00 0.00 C ATOM 0 HA PRO A 20 2.736 -2.077 -8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.508 -0.722 -10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.149 -2.309 -10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.901 -1.566 -11.939 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.192 -2.726 -12.180 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.696 -3.520 -11.454 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.119 -4.388 -10.913 1.00 0.00 H new ATOM 45 N GLY A 21 1.519 -0.059 -7.677 1.00 0.00 N ATOM 46 CA GLY A 21 0.834 1.185 -7.377 1.00 0.00 C ATOM 47 C GLY A 21 1.614 2.059 -6.415 1.00 0.00 C ATOM 48 O GLY A 21 1.835 1.682 -5.263 1.00 0.00 O ATOM 0 H GLY A 21 2.001 -0.484 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.661 1.734 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.144 0.964 -6.950 1.00 0.00 H new ATOM 52 N LYS A 22 2.032 3.229 -6.888 1.00 0.00 N ATOM 53 CA LYS A 22 2.791 4.159 -6.061 1.00 0.00 C ATOM 54 C LYS A 22 1.950 5.378 -5.699 1.00 0.00 C ATOM 55 O LYS A 22 1.209 5.902 -6.530 1.00 0.00 O ATOM 56 CB LYS A 22 4.063 4.601 -6.790 1.00 0.00 C ATOM 57 CG LYS A 22 3.835 4.964 -8.247 1.00 0.00 C ATOM 58 CD LYS A 22 4.777 6.067 -8.702 1.00 0.00 C ATOM 59 CE LYS A 22 4.944 6.070 -10.212 1.00 0.00 C ATOM 60 NZ LYS A 22 3.787 6.710 -10.897 1.00 0.00 N ATOM 0 H LYS A 22 1.858 3.555 -7.839 1.00 0.00 H new ATOM 0 HA LYS A 22 3.067 3.645 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.488 5.461 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.800 3.800 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.980 4.081 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.803 5.286 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.392 7.033 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.749 5.935 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.860 6.599 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.055 5.045 -10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.939 6.692 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.916 6.190 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.696 7.696 -10.578 1.00 0.00 H new ATOM 74 N VAL A 23 2.071 5.825 -4.453 1.00 0.00 N ATOM 75 CA VAL A 23 1.322 6.984 -3.981 1.00 0.00 C ATOM 76 C VAL A 23 2.244 7.996 -3.308 1.00 0.00 C ATOM 77 O VAL A 23 3.130 7.625 -2.538 1.00 0.00 O ATOM 78 CB VAL A 23 0.213 6.571 -2.993 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.810 5.906 -1.763 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.632 7.774 -2.602 1.00 0.00 C ATOM 0 H VAL A 23 2.680 5.402 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 23 0.862 7.444 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.435 5.848 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.011 5.622 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.364 5.016 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.485 6.602 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.409 7.462 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.001 8.525 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.094 8.199 -3.493 1.00 0.00 H new ATOM 90 N THR A 24 2.029 9.274 -3.604 1.00 0.00 N ATOM 91 CA THR A 24 2.844 10.338 -3.026 1.00 0.00 C ATOM 92 C THR A 24 2.130 10.988 -1.845 1.00 0.00 C ATOM 93 O THR A 24 1.378 11.949 -2.014 1.00 0.00 O ATOM 94 CB THR A 24 3.167 11.393 -4.084 1.00 0.00 C ATOM 95 OG1 THR A 24 3.385 10.786 -5.347 1.00 0.00 O ATOM 96 CG2 THR A 24 4.395 12.214 -3.753 1.00 0.00 C ATOM 0 H THR A 24 1.299 9.598 -4.239 1.00 0.00 H new ATOM 0 HA THR A 24 3.774 9.896 -2.668 1.00 0.00 H new ATOM 0 HB THR A 24 2.301 12.055 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.589 11.477 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.569 12.944 -4.544 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.241 12.733 -2.807 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.260 11.557 -3.669 1.00 0.00 H new ATOM 104 N LEU A 25 2.370 10.457 -0.651 1.00 0.00 N ATOM 105 CA LEU A 25 1.751 10.986 0.560 1.00 0.00 C ATOM 106 C LEU A 25 2.714 11.901 1.309 1.00 0.00 C ATOM 107 O LEU A 25 3.903 11.603 1.427 1.00 0.00 O ATOM 108 CB LEU A 25 1.305 9.841 1.470 1.00 0.00 C ATOM 109 CG LEU A 25 0.583 8.693 0.762 1.00 0.00 C ATOM 110 CD1 LEU A 25 0.977 7.356 1.372 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.924 8.889 0.830 1.00 0.00 C ATOM 0 H LEU A 25 2.988 9.661 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 25 0.878 11.570 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.181 9.440 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.646 10.244 2.239 1.00 0.00 H new ATOM 0 HG LEU A 25 0.883 8.692 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.453 6.552 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.053 7.213 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.708 7.344 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.422 8.063 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.241 8.917 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.191 9.828 0.345 1.00 0.00 H new ATOM 123 N GLN A 26 2.195 13.016 1.811 1.00 0.00 N ATOM 124 CA GLN A 26 3.010 13.973 2.547 1.00 0.00 C ATOM 125 C GLN A 26 3.166 13.552 4.005 1.00 0.00 C ATOM 126 O GLN A 26 2.461 12.660 4.482 1.00 0.00 O ATOM 127 CB GLN A 26 2.389 15.369 2.472 1.00 0.00 C ATOM 128 CG GLN A 26 2.852 16.176 1.268 1.00 0.00 C ATOM 129 CD GLN A 26 1.739 16.423 0.268 1.00 0.00 C ATOM 130 OE1 GLN A 26 0.698 16.984 0.606 1.00 0.00 O ATOM 131 NE2 GLN A 26 1.956 16.003 -0.973 1.00 0.00 N ATOM 0 H GLN A 26 1.213 13.279 1.721 1.00 0.00 H new ATOM 0 HA GLN A 26 3.998 13.996 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.304 15.274 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.634 15.916 3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.249 17.133 1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.669 15.649 0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.835 15.542 -1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.244 16.141 -1.690 1.00 0.00 H new ATOM 140 N LYS A 27 4.091 14.197 4.708 1.00 0.00 N ATOM 141 CA LYS A 27 4.339 13.889 6.111 1.00 0.00 C ATOM 142 C LYS A 27 3.313 14.573 7.009 1.00 0.00 C ATOM 143 O LYS A 27 2.685 15.555 6.615 1.00 0.00 O ATOM 144 CB LYS A 27 5.751 14.323 6.508 1.00 0.00 C ATOM 145 CG LYS A 27 6.849 13.566 5.779 1.00 0.00 C ATOM 146 CD LYS A 27 7.173 12.252 6.471 1.00 0.00 C ATOM 147 CE LYS A 27 8.608 11.823 6.210 1.00 0.00 C ATOM 148 NZ LYS A 27 9.452 11.936 7.432 1.00 0.00 N ATOM 0 H LYS A 27 4.682 14.937 4.328 1.00 0.00 H new ATOM 0 HA LYS A 27 4.247 12.811 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.863 15.389 6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.876 14.183 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.538 13.371 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.746 14.183 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.013 12.356 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.491 11.477 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.620 10.793 5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.033 12.439 5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.195 12.646 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.860 12.225 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.890 11.016 7.638 1.00 0.00 H new ATOM 162 N ASP A 28 3.148 14.045 8.218 1.00 0.00 N ATOM 163 CA ASP A 28 2.198 14.606 9.172 1.00 0.00 C ATOM 164 C ASP A 28 2.890 15.586 10.114 1.00 0.00 C ATOM 165 O ASP A 28 4.045 15.953 9.903 1.00 0.00 O ATOM 166 CB ASP A 28 1.533 13.487 9.976 1.00 0.00 C ATOM 167 CG ASP A 28 0.064 13.760 10.240 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.648 14.146 9.290 1.00 0.00 O ATOM 169 OD2 ASP A 28 -0.374 13.584 11.396 1.00 0.00 O ATOM 0 H ASP A 28 3.659 13.231 8.560 1.00 0.00 H new ATOM 0 HA ASP A 28 1.433 15.146 8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.634 12.546 9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.054 13.367 10.926 1.00 0.00 H new ATOM 174 N ALA A 29 2.175 16.005 11.153 1.00 0.00 N ATOM 175 CA ALA A 29 2.719 16.944 12.127 1.00 0.00 C ATOM 176 C ALA A 29 3.926 16.353 12.845 1.00 0.00 C ATOM 177 O ALA A 29 4.839 17.075 13.247 1.00 0.00 O ATOM 178 CB ALA A 29 1.648 17.341 13.131 1.00 0.00 C ATOM 0 H ALA A 29 1.217 15.709 11.342 1.00 0.00 H new ATOM 0 HA ALA A 29 3.048 17.834 11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.068 18.042 13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.816 17.813 12.608 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.292 16.453 13.653 1.00 0.00 H new ATOM 184 N GLN A 30 3.926 15.034 13.005 1.00 0.00 N ATOM 185 CA GLN A 30 5.021 14.344 13.676 1.00 0.00 C ATOM 186 C GLN A 30 5.971 13.714 12.663 1.00 0.00 C ATOM 187 O GLN A 30 6.586 12.682 12.935 1.00 0.00 O ATOM 188 CB GLN A 30 4.474 13.271 14.617 1.00 0.00 C ATOM 189 CG GLN A 30 3.619 12.227 13.916 1.00 0.00 C ATOM 190 CD GLN A 30 2.352 11.900 14.681 1.00 0.00 C ATOM 191 OE1 GLN A 30 2.401 11.317 15.764 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.209 12.273 14.119 1.00 0.00 N ATOM 0 H GLN A 30 3.179 14.421 12.679 1.00 0.00 H new ATOM 0 HA GLN A 30 5.577 15.079 14.258 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.308 12.773 15.111 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.882 13.750 15.396 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.356 12.587 12.922 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.203 11.316 13.781 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.216 12.754 13.220 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.324 12.079 14.586 1.00 0.00 H new ATOM 201 N ASN A 31 6.086 14.342 11.494 1.00 0.00 N ATOM 202 CA ASN A 31 6.961 13.852 10.429 1.00 0.00 C ATOM 203 C ASN A 31 6.834 12.340 10.253 1.00 0.00 C ATOM 204 O ASN A 31 7.824 11.646 10.023 1.00 0.00 O ATOM 205 CB ASN A 31 8.417 14.226 10.720 1.00 0.00 C ATOM 206 CG ASN A 31 8.959 13.543 11.961 1.00 0.00 C ATOM 207 OD1 ASN A 31 8.795 14.036 13.076 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.610 12.401 11.771 1.00 0.00 N ATOM 0 H ASN A 31 5.581 15.196 11.259 1.00 0.00 H new ATOM 0 HA ASN A 31 6.649 14.328 9.499 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.035 13.958 9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.493 15.306 10.842 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.998 11.896 12.568 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.722 12.029 10.828 1.00 0.00 H new ATOM 215 N LEU A 32 5.609 11.836 10.363 1.00 0.00 N ATOM 216 CA LEU A 32 5.354 10.407 10.216 1.00 0.00 C ATOM 217 C LEU A 32 4.092 10.160 9.396 1.00 0.00 C ATOM 218 O LEU A 32 2.982 10.435 9.849 1.00 0.00 O ATOM 219 CB LEU A 32 5.222 9.747 11.588 1.00 0.00 C ATOM 220 CG LEU A 32 6.499 9.739 12.431 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.163 9.787 13.912 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.338 8.511 12.111 1.00 0.00 C ATOM 0 H LEU A 32 4.778 12.395 10.553 1.00 0.00 H new ATOM 0 HA LEU A 32 6.200 9.966 9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.440 10.260 12.147 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.891 8.718 11.448 1.00 0.00 H new ATOM 0 HG LEU A 32 7.080 10.627 12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.084 9.781 14.495 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.603 10.697 14.129 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.560 8.918 14.177 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.243 8.520 12.719 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.763 7.611 12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.610 8.521 11.055 1.00 0.00 H new ATOM 234 N ILE A 33 4.272 9.638 8.186 1.00 0.00 N ATOM 235 CA ILE A 33 3.149 9.352 7.301 1.00 0.00 C ATOM 236 C ILE A 33 2.140 8.425 7.971 1.00 0.00 C ATOM 237 O ILE A 33 0.941 8.492 7.693 1.00 0.00 O ATOM 238 CB ILE A 33 3.619 8.714 5.978 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.574 7.551 6.255 1.00 0.00 C ATOM 240 CG2 ILE A 33 4.288 9.758 5.096 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.976 6.793 5.009 1.00 0.00 C ATOM 0 H ILE A 33 5.185 9.405 7.797 1.00 0.00 H new ATOM 0 HA ILE A 33 2.671 10.307 7.083 1.00 0.00 H new ATOM 0 HB ILE A 33 2.748 8.324 5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.470 7.935 6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.101 6.861 6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.615 9.293 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.579 10.555 4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.151 10.175 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.653 5.983 5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.087 6.380 4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.477 7.470 4.317 1.00 0.00 H new ATOM 253 N GLY A 34 2.630 7.567 8.858 1.00 0.00 N ATOM 254 CA GLY A 34 1.755 6.644 9.559 1.00 0.00 C ATOM 255 C GLY A 34 1.524 5.356 8.794 1.00 0.00 C ATOM 256 O GLY A 34 0.495 5.190 8.143 1.00 0.00 O ATOM 0 H GLY A 34 3.617 7.493 9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.186 6.410 10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.796 7.129 9.743 1.00 0.00 H new ATOM 260 N ILE A 35 2.485 4.438 8.881 1.00 0.00 N ATOM 261 CA ILE A 35 2.381 3.153 8.199 1.00 0.00 C ATOM 262 C ILE A 35 3.381 2.152 8.767 1.00 0.00 C ATOM 263 O ILE A 35 4.563 2.461 8.922 1.00 0.00 O ATOM 264 CB ILE A 35 2.616 3.289 6.680 1.00 0.00 C ATOM 265 CG1 ILE A 35 3.793 4.226 6.398 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.356 3.789 5.989 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.713 3.725 5.306 1.00 0.00 C ATOM 0 H ILE A 35 3.344 4.562 9.417 1.00 0.00 H new ATOM 0 HA ILE A 35 1.366 2.792 8.365 1.00 0.00 H new ATOM 0 HB ILE A 35 2.860 2.305 6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.408 5.206 6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.368 4.360 7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.540 3.879 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.543 3.083 6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.082 4.763 6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.525 4.438 5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.127 2.758 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.151 3.618 4.378 1.00 0.00 H new ATOM 279 N SER A 36 2.899 0.952 9.074 1.00 0.00 N ATOM 280 CA SER A 36 3.752 -0.094 9.626 1.00 0.00 C ATOM 281 C SER A 36 4.233 -1.039 8.529 1.00 0.00 C ATOM 282 O SER A 36 3.471 -1.403 7.633 1.00 0.00 O ATOM 283 CB SER A 36 2.999 -0.883 10.699 1.00 0.00 C ATOM 284 OG SER A 36 3.106 -0.254 11.964 1.00 0.00 O ATOM 0 H SER A 36 1.924 0.680 8.950 1.00 0.00 H new ATOM 0 HA SER A 36 4.622 0.383 10.078 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.949 -0.970 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.399 -1.895 10.758 1.00 0.00 H new ATOM 0 HG SER A 36 2.615 -0.777 12.632 1.00 0.00 H new ATOM 290 N ILE A 37 5.499 -1.433 8.606 1.00 0.00 N ATOM 291 CA ILE A 37 6.080 -2.334 7.619 1.00 0.00 C ATOM 292 C ILE A 37 6.825 -3.481 8.295 1.00 0.00 C ATOM 293 O ILE A 37 7.080 -3.445 9.499 1.00 0.00 O ATOM 294 CB ILE A 37 7.049 -1.592 6.681 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.021 -0.730 7.488 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.273 -0.739 5.688 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.451 -0.814 7.002 1.00 0.00 C ATOM 0 H ILE A 37 6.142 -1.142 9.342 1.00 0.00 H new ATOM 0 HA ILE A 37 5.254 -2.734 7.032 1.00 0.00 H new ATOM 0 HB ILE A 37 7.628 -2.329 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.693 0.309 7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.983 -1.036 8.534 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.971 -0.220 5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.620 -1.377 5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.671 -0.008 6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.084 -0.177 7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.798 -1.845 7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.503 -0.480 5.966 1.00 0.00 H new ATOM 309 N GLY A 38 7.171 -4.497 7.511 1.00 0.00 N ATOM 310 CA GLY A 38 7.884 -5.640 8.051 1.00 0.00 C ATOM 311 C GLY A 38 8.615 -6.425 6.980 1.00 0.00 C ATOM 312 O GLY A 38 8.067 -6.686 5.909 1.00 0.00 O ATOM 0 H GLY A 38 6.971 -4.549 6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.600 -5.298 8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.179 -6.296 8.561 1.00 0.00 H new ATOM 316 N GLY A 39 9.856 -6.801 7.268 1.00 0.00 N ATOM 317 CA GLY A 39 10.643 -7.558 6.313 1.00 0.00 C ATOM 318 C GLY A 39 11.927 -8.095 6.914 1.00 0.00 C ATOM 319 O GLY A 39 12.312 -7.710 8.018 1.00 0.00 O ATOM 0 H GLY A 39 10.331 -6.595 8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.048 -8.389 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.883 -6.923 5.460 1.00 0.00 H new ATOM 414 N LEU A 47 10.264 -6.441 1.695 1.00 0.00 N ATOM 415 CA LEU A 47 9.472 -5.886 2.786 1.00 0.00 C ATOM 416 C LEU A 47 8.007 -5.758 2.381 1.00 0.00 C ATOM 417 O LEU A 47 7.660 -5.924 1.212 1.00 0.00 O ATOM 418 CB LEU A 47 10.020 -4.518 3.200 1.00 0.00 C ATOM 419 CG LEU A 47 11.054 -4.550 4.328 1.00 0.00 C ATOM 420 CD1 LEU A 47 12.226 -5.442 3.953 1.00 0.00 C ATOM 421 CD2 LEU A 47 11.534 -3.142 4.649 1.00 0.00 C ATOM 0 HA LEU A 47 9.540 -6.567 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.471 -4.045 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.186 -3.888 3.509 1.00 0.00 H new ATOM 0 HG LEU A 47 10.581 -4.964 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.951 -5.452 4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.869 -6.456 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.701 -5.059 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.269 -3.183 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.990 -2.702 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.687 -2.531 4.962 1.00 0.00 H new ATOM 433 N TYR A 48 7.152 -5.461 3.353 1.00 0.00 N ATOM 434 CA TYR A 48 5.725 -5.312 3.093 1.00 0.00 C ATOM 435 C TYR A 48 5.044 -4.532 4.213 1.00 0.00 C ATOM 436 O TYR A 48 5.553 -4.456 5.330 1.00 0.00 O ATOM 437 CB TYR A 48 5.067 -6.685 2.942 1.00 0.00 C ATOM 438 CG TYR A 48 5.273 -7.591 4.135 1.00 0.00 C ATOM 439 CD1 TYR A 48 6.423 -8.361 4.256 1.00 0.00 C ATOM 440 CD2 TYR A 48 4.317 -7.677 5.138 1.00 0.00 C ATOM 441 CE1 TYR A 48 6.614 -9.191 5.344 1.00 0.00 C ATOM 442 CE2 TYR A 48 4.499 -8.504 6.230 1.00 0.00 C ATOM 443 CZ TYR A 48 5.650 -9.259 6.328 1.00 0.00 C ATOM 444 OH TYR A 48 5.836 -10.084 7.414 1.00 0.00 O ATOM 0 H TYR A 48 7.421 -5.319 4.326 1.00 0.00 H new ATOM 0 HA TYR A 48 5.608 -4.755 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.998 -6.550 2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.465 -7.173 2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.180 -8.310 3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.415 -7.087 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.514 -9.783 5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.745 -8.559 7.002 1.00 0.00 H new ATOM 0 HH TYR A 48 5.064 -10.014 8.014 1.00 0.00 H new ATOM 454 N ILE A 49 3.888 -3.952 3.902 1.00 0.00 N ATOM 455 CA ILE A 49 3.134 -3.178 4.881 1.00 0.00 C ATOM 456 C ILE A 49 2.404 -4.096 5.855 1.00 0.00 C ATOM 457 O ILE A 49 2.196 -5.275 5.572 1.00 0.00 O ATOM 458 CB ILE A 49 2.112 -2.251 4.195 1.00 0.00 C ATOM 459 CG1 ILE A 49 2.775 -1.484 3.047 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.507 -1.286 5.204 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.591 -2.137 1.696 1.00 0.00 C ATOM 0 H ILE A 49 3.454 -4.004 2.980 1.00 0.00 H new ATOM 0 HA ILE A 49 3.852 -2.568 5.430 1.00 0.00 H new ATOM 0 HB ILE A 49 1.310 -2.863 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.366 -0.474 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.841 -1.389 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.788 -0.639 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.003 -1.849 5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.297 -0.678 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.087 -1.538 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.026 -3.136 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.527 -2.208 1.468 1.00 0.00 H new ATOM 473 N VAL A 50 2.020 -3.553 7.007 1.00 0.00 N ATOM 474 CA VAL A 50 1.319 -4.332 8.021 1.00 0.00 C ATOM 475 C VAL A 50 -0.053 -3.743 8.331 1.00 0.00 C ATOM 476 O VAL A 50 -1.081 -4.337 8.003 1.00 0.00 O ATOM 477 CB VAL A 50 2.133 -4.419 9.326 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.479 -5.386 10.301 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.567 -4.837 9.032 1.00 0.00 C ATOM 0 H VAL A 50 2.182 -2.578 7.261 1.00 0.00 H new ATOM 0 HA VAL A 50 1.192 -5.333 7.610 1.00 0.00 H new ATOM 0 HB VAL A 50 2.152 -3.432 9.788 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.069 -5.434 11.217 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.472 -5.041 10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.427 -6.377 9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.128 -4.894 9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.569 -5.813 8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.032 -4.104 8.373 1.00 0.00 H new ATOM 489 N GLN A 51 -0.066 -2.577 8.968 1.00 0.00 N ATOM 490 CA GLN A 51 -1.318 -1.918 9.326 1.00 0.00 C ATOM 491 C GLN A 51 -1.120 -0.416 9.498 1.00 0.00 C ATOM 492 O GLN A 51 -0.073 0.035 9.962 1.00 0.00 O ATOM 493 CB GLN A 51 -1.880 -2.522 10.616 1.00 0.00 C ATOM 494 CG GLN A 51 -3.182 -1.884 11.074 1.00 0.00 C ATOM 495 CD GLN A 51 -4.321 -2.881 11.169 1.00 0.00 C ATOM 496 OE1 GLN A 51 -4.276 -3.816 11.968 1.00 0.00 O ATOM 497 NE2 GLN A 51 -5.348 -2.686 10.352 1.00 0.00 N ATOM 0 H GLN A 51 0.774 -2.069 9.247 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.028 -2.077 8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.042 -3.589 10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.138 -2.420 11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.031 -1.418 12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.457 -1.090 10.380 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.343 -1.897 9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.143 -3.325 10.370 1.00 0.00 H new ATOM 506 N VAL A 52 -2.136 0.355 9.123 1.00 0.00 N ATOM 507 CA VAL A 52 -2.082 1.808 9.237 1.00 0.00 C ATOM 508 C VAL A 52 -2.734 2.276 10.531 1.00 0.00 C ATOM 509 O VAL A 52 -3.458 1.524 11.182 1.00 0.00 O ATOM 510 CB VAL A 52 -2.785 2.498 8.051 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.378 3.961 7.962 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.485 1.776 6.747 1.00 0.00 C ATOM 0 H VAL A 52 -3.009 -0.004 8.736 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.028 2.084 9.234 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.860 2.452 8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.885 4.429 7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.657 4.473 8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.299 4.031 7.821 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.992 2.282 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.410 1.781 6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.837 0.747 6.812 1.00 0.00 H new ATOM 522 N PHE A 53 -2.479 3.528 10.895 1.00 0.00 N ATOM 523 CA PHE A 53 -3.047 4.101 12.108 1.00 0.00 C ATOM 524 C PHE A 53 -3.997 5.244 11.766 1.00 0.00 C ATOM 525 O PHE A 53 -3.902 5.843 10.696 1.00 0.00 O ATOM 526 CB PHE A 53 -1.935 4.597 13.035 1.00 0.00 C ATOM 527 CG PHE A 53 -1.331 3.507 13.873 1.00 0.00 C ATOM 528 CD1 PHE A 53 -1.987 3.041 15.003 1.00 0.00 C ATOM 529 CD2 PHE A 53 -0.112 2.947 13.532 1.00 0.00 C ATOM 530 CE1 PHE A 53 -1.437 2.036 15.773 1.00 0.00 C ATOM 531 CE2 PHE A 53 0.444 1.942 14.300 1.00 0.00 C ATOM 532 CZ PHE A 53 -0.219 1.486 15.422 1.00 0.00 C ATOM 0 H PHE A 53 -1.883 4.165 10.367 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.611 3.324 12.623 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.152 5.061 12.436 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.336 5.370 13.691 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.938 3.469 15.283 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.411 3.300 12.655 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.958 1.680 16.649 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.396 1.514 14.023 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.214 0.701 16.024 1.00 0.00 H new ATOM 542 N ASP A 54 -4.916 5.535 12.678 1.00 0.00 N ATOM 543 CA ASP A 54 -5.888 6.600 12.468 1.00 0.00 C ATOM 544 C ASP A 54 -5.234 7.975 12.563 1.00 0.00 C ATOM 545 O ASP A 54 -4.161 8.127 13.150 1.00 0.00 O ATOM 546 CB ASP A 54 -7.020 6.490 13.491 1.00 0.00 C ATOM 547 CG ASP A 54 -8.357 6.928 12.923 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.725 6.442 11.833 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.034 7.755 13.569 1.00 0.00 O ATOM 0 H ASP A 54 -5.009 5.049 13.570 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.296 6.487 11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.095 5.459 13.836 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.780 7.101 14.361 1.00 0.00 H new ATOM 554 N ASN A 55 -5.895 8.974 11.988 1.00 0.00 N ATOM 555 CA ASN A 55 -5.398 10.346 12.004 1.00 0.00 C ATOM 556 C ASN A 55 -4.075 10.484 11.251 1.00 0.00 C ATOM 557 O ASN A 55 -3.373 11.485 11.402 1.00 0.00 O ATOM 558 CB ASN A 55 -5.229 10.836 13.442 1.00 0.00 C ATOM 559 CG ASN A 55 -6.557 11.093 14.126 1.00 0.00 C ATOM 560 OD1 ASN A 55 -6.910 12.238 14.411 1.00 0.00 O ATOM 561 ND2 ASN A 55 -7.301 10.027 14.395 1.00 0.00 N ATOM 0 H ASN A 55 -6.784 8.858 11.501 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.138 10.963 11.495 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.668 10.095 14.012 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.639 11.753 13.443 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.204 10.139 14.856 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.969 9.096 14.141 1.00 0.00 H new ATOM 568 N THR A 56 -3.739 9.489 10.437 1.00 0.00 N ATOM 569 CA THR A 56 -2.502 9.530 9.664 1.00 0.00 C ATOM 570 C THR A 56 -2.791 9.902 8.213 1.00 0.00 C ATOM 571 O THR A 56 -3.839 9.554 7.675 1.00 0.00 O ATOM 572 CB THR A 56 -1.784 8.182 9.721 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.571 7.168 9.121 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.454 7.737 11.129 1.00 0.00 C ATOM 0 H THR A 56 -4.301 8.650 10.295 1.00 0.00 H new ATOM 0 HA THR A 56 -1.855 10.290 10.102 1.00 0.00 H new ATOM 0 HB THR A 56 -0.851 8.330 9.178 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.703 6.436 9.759 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.946 6.773 11.096 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.804 8.474 11.601 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.374 7.642 11.706 1.00 0.00 H new ATOM 582 N PRO A 57 -1.861 10.616 7.556 1.00 0.00 N ATOM 583 CA PRO A 57 -2.032 11.029 6.160 1.00 0.00 C ATOM 584 C PRO A 57 -2.240 9.836 5.232 1.00 0.00 C ATOM 585 O PRO A 57 -2.977 9.922 4.251 1.00 0.00 O ATOM 586 CB PRO A 57 -0.719 11.750 5.826 1.00 0.00 C ATOM 587 CG PRO A 57 0.243 11.332 6.886 1.00 0.00 C ATOM 588 CD PRO A 57 -0.581 11.074 8.113 1.00 0.00 C ATOM 0 HA PRO A 57 -2.914 11.656 6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.358 11.471 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.854 12.832 5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.789 10.437 6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.984 12.110 7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.126 10.319 8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.701 11.974 8.716 1.00 0.00 H new ATOM 596 N ALA A 58 -1.584 8.726 5.550 1.00 0.00 N ATOM 597 CA ALA A 58 -1.694 7.513 4.747 1.00 0.00 C ATOM 598 C ALA A 58 -3.094 6.913 4.843 1.00 0.00 C ATOM 599 O ALA A 58 -3.617 6.372 3.869 1.00 0.00 O ATOM 600 CB ALA A 58 -0.650 6.498 5.186 1.00 0.00 C ATOM 0 H ALA A 58 -0.969 8.641 6.359 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.514 7.778 3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.741 5.597 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.346 6.922 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.805 6.247 6.235 1.00 0.00 H new ATOM 606 N ALA A 59 -3.695 7.010 6.025 1.00 0.00 N ATOM 607 CA ALA A 59 -5.033 6.475 6.251 1.00 0.00 C ATOM 608 C ALA A 59 -6.104 7.449 5.770 1.00 0.00 C ATOM 609 O ALA A 59 -7.028 7.067 5.052 1.00 0.00 O ATOM 610 CB ALA A 59 -5.231 6.158 7.725 1.00 0.00 C ATOM 0 H ALA A 59 -3.276 7.455 6.842 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.131 5.555 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.234 5.759 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.494 5.419 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.107 7.068 8.313 1.00 0.00 H new ATOM 616 N LEU A 60 -5.972 8.709 6.173 1.00 0.00 N ATOM 617 CA LEU A 60 -6.925 9.744 5.789 1.00 0.00 C ATOM 618 C LEU A 60 -7.112 9.785 4.276 1.00 0.00 C ATOM 619 O LEU A 60 -8.232 9.918 3.782 1.00 0.00 O ATOM 620 CB LEU A 60 -6.456 11.109 6.297 1.00 0.00 C ATOM 621 CG LEU A 60 -6.372 11.244 7.819 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.603 12.497 8.203 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.766 11.264 8.429 1.00 0.00 C ATOM 0 H LEU A 60 -5.211 9.038 6.767 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.886 9.504 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.473 11.318 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.135 11.873 5.917 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.836 10.380 8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.554 12.575 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.593 12.443 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.110 13.373 7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.688 11.360 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.326 12.109 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.284 10.337 8.184 1.00 0.00 H new ATOM 635 N ASP A 61 -6.009 9.668 3.543 1.00 0.00 N ATOM 636 CA ASP A 61 -6.056 9.690 2.086 1.00 0.00 C ATOM 637 C ASP A 61 -6.547 8.353 1.539 1.00 0.00 C ATOM 638 O ASP A 61 -7.187 8.297 0.489 1.00 0.00 O ATOM 639 CB ASP A 61 -4.675 10.014 1.512 1.00 0.00 C ATOM 640 CG ASP A 61 -4.531 11.478 1.143 1.00 0.00 C ATOM 641 OD1 ASP A 61 -5.147 12.324 1.825 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.806 11.778 0.172 1.00 0.00 O ATOM 0 H ASP A 61 -5.073 9.557 3.934 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.757 10.467 1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.910 9.749 2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.499 9.400 0.629 1.00 0.00 H new ATOM 647 N GLY A 62 -6.241 7.277 2.258 1.00 0.00 N ATOM 648 CA GLY A 62 -6.659 5.955 1.830 1.00 0.00 C ATOM 649 C GLY A 62 -5.934 5.495 0.580 1.00 0.00 C ATOM 650 O GLY A 62 -6.390 5.743 -0.536 1.00 0.00 O ATOM 0 H GLY A 62 -5.711 7.298 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.479 5.242 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.733 5.959 1.643 1.00 0.00 H new ATOM 654 N THR A 63 -4.804 4.822 0.768 1.00 0.00 N ATOM 655 CA THR A 63 -4.015 4.325 -0.354 1.00 0.00 C ATOM 656 C THR A 63 -3.167 3.128 0.064 1.00 0.00 C ATOM 657 O THR A 63 -3.260 2.053 -0.528 1.00 0.00 O ATOM 658 CB THR A 63 -3.117 5.436 -0.904 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.684 6.709 -0.653 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.872 5.324 -2.393 1.00 0.00 C ATOM 0 H THR A 63 -4.414 4.608 1.686 1.00 0.00 H new ATOM 0 HA THR A 63 -4.703 4.003 -1.136 1.00 0.00 H new ATOM 0 HB THR A 63 -2.164 5.321 -0.387 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.549 7.287 -1.433 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.229 6.141 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.388 4.372 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.823 5.378 -2.923 1.00 0.00 H new ATOM 668 N VAL A 64 -2.340 3.323 1.086 1.00 0.00 N ATOM 669 CA VAL A 64 -1.475 2.260 1.582 1.00 0.00 C ATOM 670 C VAL A 64 -2.021 1.665 2.876 1.00 0.00 C ATOM 671 O VAL A 64 -2.492 2.391 3.752 1.00 0.00 O ATOM 672 CB VAL A 64 -0.043 2.769 1.829 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.662 3.047 0.509 1.00 0.00 C ATOM 674 CG2 VAL A 64 -0.062 4.012 2.704 1.00 0.00 C ATOM 0 H VAL A 64 -2.251 4.207 1.586 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.450 1.489 0.812 1.00 0.00 H new ATOM 0 HB VAL A 64 0.513 1.992 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.672 3.406 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.710 2.130 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.109 3.805 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.959 4.357 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.635 4.796 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.523 3.775 3.663 1.00 0.00 H new ATOM 684 N ALA A 65 -1.952 0.344 2.990 1.00 0.00 N ATOM 685 CA ALA A 65 -2.438 -0.348 4.177 1.00 0.00 C ATOM 686 C ALA A 65 -2.145 -1.843 4.102 1.00 0.00 C ATOM 687 O ALA A 65 -1.459 -2.305 3.191 1.00 0.00 O ATOM 688 CB ALA A 65 -3.931 -0.107 4.352 1.00 0.00 C ATOM 0 H ALA A 65 -1.564 -0.270 2.274 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.912 0.053 5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.282 -0.629 5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.117 0.961 4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.465 -0.481 3.478 1.00 0.00 H new ATOM 694 N ALA A 66 -2.671 -2.594 5.066 1.00 0.00 N ATOM 695 CA ALA A 66 -2.465 -4.036 5.110 1.00 0.00 C ATOM 696 C ALA A 66 -2.919 -4.697 3.812 1.00 0.00 C ATOM 697 O ALA A 66 -3.995 -4.398 3.293 1.00 0.00 O ATOM 698 CB ALA A 66 -3.205 -4.638 6.296 1.00 0.00 C ATOM 0 H ALA A 66 -3.243 -2.226 5.826 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.397 -4.222 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.043 -5.716 6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.832 -4.197 7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.271 -4.433 6.201 1.00 0.00 H new ATOM 704 N GLY A 67 -2.091 -5.597 3.292 1.00 0.00 N ATOM 705 CA GLY A 67 -2.423 -6.284 2.057 1.00 0.00 C ATOM 706 C GLY A 67 -1.705 -5.702 0.856 1.00 0.00 C ATOM 707 O GLY A 67 -2.170 -5.833 -0.277 1.00 0.00 O ATOM 0 H GLY A 67 -1.196 -5.863 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.167 -7.339 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.499 -6.230 1.894 1.00 0.00 H new ATOM 711 N ASP A 68 -0.569 -5.056 1.103 1.00 0.00 N ATOM 712 CA ASP A 68 0.216 -4.452 0.033 1.00 0.00 C ATOM 713 C ASP A 68 1.678 -4.872 0.128 1.00 0.00 C ATOM 714 O ASP A 68 2.131 -5.348 1.169 1.00 0.00 O ATOM 715 CB ASP A 68 0.105 -2.927 0.090 1.00 0.00 C ATOM 716 CG ASP A 68 -1.019 -2.395 -0.776 1.00 0.00 C ATOM 717 OD1 ASP A 68 -1.339 -3.040 -1.797 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.582 -1.335 -0.432 1.00 0.00 O ATOM 0 H ASP A 68 -0.172 -4.938 2.035 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.182 -4.803 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.057 -2.616 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.048 -2.485 -0.232 1.00 0.00 H new ATOM 723 N GLU A 69 2.414 -4.694 -0.965 1.00 0.00 N ATOM 724 CA GLU A 69 3.826 -5.056 -1.003 1.00 0.00 C ATOM 725 C GLU A 69 4.693 -3.840 -1.315 1.00 0.00 C ATOM 726 O GLU A 69 4.855 -3.463 -2.474 1.00 0.00 O ATOM 727 CB GLU A 69 4.065 -6.149 -2.046 1.00 0.00 C ATOM 728 CG GLU A 69 5.104 -7.176 -1.624 1.00 0.00 C ATOM 729 CD GLU A 69 6.458 -6.927 -2.256 1.00 0.00 C ATOM 730 OE1 GLU A 69 6.679 -7.394 -3.394 1.00 0.00 O ATOM 731 OE2 GLU A 69 7.301 -6.266 -1.613 1.00 0.00 O ATOM 0 H GLU A 69 2.056 -4.301 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 69 4.105 -5.434 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.123 -6.659 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.383 -5.685 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.205 -7.161 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.757 -8.172 -1.898 1.00 0.00 H new ATOM 738 N ILE A 70 5.251 -3.237 -0.271 1.00 0.00 N ATOM 739 CA ILE A 70 6.104 -2.066 -0.433 1.00 0.00 C ATOM 740 C ILE A 70 7.454 -2.454 -1.033 1.00 0.00 C ATOM 741 O ILE A 70 8.108 -3.384 -0.561 1.00 0.00 O ATOM 742 CB ILE A 70 6.334 -1.347 0.913 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.158 -0.073 0.706 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.021 -2.276 1.903 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.070 0.898 1.863 1.00 0.00 C ATOM 0 H ILE A 70 5.128 -3.540 0.695 1.00 0.00 H new ATOM 0 HA ILE A 70 5.589 -1.386 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 70 5.365 -1.065 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.202 -0.346 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.820 0.425 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.175 -1.752 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.396 -3.153 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.984 -2.589 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.678 1.777 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.033 1.201 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.436 0.417 2.770 1.00 0.00 H new ATOM 757 N THR A 71 7.864 -1.737 -2.075 1.00 0.00 N ATOM 758 CA THR A 71 9.134 -2.013 -2.735 1.00 0.00 C ATOM 759 C THR A 71 9.758 -0.732 -3.281 1.00 0.00 C ATOM 760 O THR A 71 10.463 -0.755 -4.289 1.00 0.00 O ATOM 761 CB THR A 71 8.934 -3.017 -3.871 1.00 0.00 C ATOM 762 OG1 THR A 71 10.139 -3.209 -4.591 1.00 0.00 O ATOM 763 CG2 THR A 71 7.869 -2.597 -4.861 1.00 0.00 C ATOM 0 H THR A 71 7.337 -0.963 -2.479 1.00 0.00 H new ATOM 0 HA THR A 71 9.812 -2.438 -1.995 1.00 0.00 H new ATOM 0 HB THR A 71 8.613 -3.939 -3.387 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.439 -2.353 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.778 -3.353 -5.641 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.915 -2.491 -4.345 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.146 -1.644 -5.311 1.00 0.00 H new ATOM 771 N GLY A 72 9.496 0.383 -2.607 1.00 0.00 N ATOM 772 CA GLY A 72 10.042 1.657 -3.040 1.00 0.00 C ATOM 773 C GLY A 72 9.588 2.811 -2.170 1.00 0.00 C ATOM 774 O GLY A 72 8.648 2.674 -1.388 1.00 0.00 O ATOM 0 H GLY A 72 8.916 0.428 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.131 1.604 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.743 1.845 -4.071 1.00 0.00 H new ATOM 778 N VAL A 73 10.258 3.951 -2.304 1.00 0.00 N ATOM 779 CA VAL A 73 9.918 5.133 -1.521 1.00 0.00 C ATOM 780 C VAL A 73 10.568 6.384 -2.101 1.00 0.00 C ATOM 781 O VAL A 73 11.752 6.382 -2.440 1.00 0.00 O ATOM 782 CB VAL A 73 10.348 4.974 -0.049 1.00 0.00 C ATOM 783 CG1 VAL A 73 11.857 4.800 0.056 1.00 0.00 C ATOM 784 CG2 VAL A 73 9.877 6.164 0.778 1.00 0.00 C ATOM 0 H VAL A 73 11.039 4.081 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 73 8.834 5.241 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 73 9.878 4.076 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.139 4.690 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.160 3.911 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.354 5.675 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.190 6.034 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.314 7.080 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.790 6.231 0.733 1.00 0.00 H new ATOM 794 N ASN A 74 9.787 7.455 -2.210 1.00 0.00 N ATOM 795 CA ASN A 74 10.283 8.720 -2.746 1.00 0.00 C ATOM 796 C ASN A 74 10.921 8.524 -4.119 1.00 0.00 C ATOM 797 O ASN A 74 11.809 9.280 -4.513 1.00 0.00 O ATOM 798 CB ASN A 74 11.297 9.340 -1.783 1.00 0.00 C ATOM 799 CG ASN A 74 11.366 10.849 -1.910 1.00 0.00 C ATOM 800 OD1 ASN A 74 12.077 11.380 -2.765 1.00 0.00 O ATOM 801 ND2 ASN A 74 10.625 11.549 -1.059 1.00 0.00 N ATOM 0 H ASN A 74 8.805 7.472 -1.934 1.00 0.00 H new ATOM 0 HA ASN A 74 9.434 9.395 -2.857 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.031 9.076 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.283 8.916 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.630 12.568 -1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.051 11.067 -0.367 1.00 0.00 H new ATOM 808 N GLY A 75 10.466 7.507 -4.841 1.00 0.00 N ATOM 809 CA GLY A 75 11.006 7.235 -6.160 1.00 0.00 C ATOM 810 C GLY A 75 12.102 6.187 -6.135 1.00 0.00 C ATOM 811 O GLY A 75 12.314 5.478 -7.119 1.00 0.00 O ATOM 0 H GLY A 75 9.733 6.866 -4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.202 6.900 -6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.400 8.158 -6.585 1.00 0.00 H new ATOM 815 N ARG A 76 12.797 6.086 -5.007 1.00 0.00 N ATOM 816 CA ARG A 76 13.876 5.117 -4.858 1.00 0.00 C ATOM 817 C ARG A 76 13.321 3.708 -4.676 1.00 0.00 C ATOM 818 O ARG A 76 12.113 3.488 -4.773 1.00 0.00 O ATOM 819 CB ARG A 76 14.761 5.486 -3.666 1.00 0.00 C ATOM 820 CG ARG A 76 15.182 6.947 -3.649 1.00 0.00 C ATOM 821 CD ARG A 76 15.656 7.372 -2.268 1.00 0.00 C ATOM 822 NE ARG A 76 16.117 8.758 -2.252 1.00 0.00 N ATOM 823 CZ ARG A 76 16.893 9.270 -1.299 1.00 0.00 C ATOM 824 NH1 ARG A 76 17.297 8.515 -0.287 1.00 0.00 N ATOM 825 NH2 ARG A 76 17.265 10.541 -1.361 1.00 0.00 N ATOM 0 H ARG A 76 12.632 6.664 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 76 14.476 5.137 -5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.226 5.260 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.653 4.860 -3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.980 7.106 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.344 7.572 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.843 7.252 -1.552 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.465 6.717 -1.944 1.00 0.00 H new ATOM 0 HE ARG A 76 15.827 9.369 -3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.013 7.537 -0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.891 8.913 0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.957 11.125 -2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.859 10.935 -0.632 1.00 0.00 H new ATOM 839 N SER A 77 14.211 2.757 -4.412 1.00 0.00 N ATOM 840 CA SER A 77 13.811 1.369 -4.214 1.00 0.00 C ATOM 841 C SER A 77 14.267 0.861 -2.850 1.00 0.00 C ATOM 842 O SER A 77 15.341 1.223 -2.370 1.00 0.00 O ATOM 843 CB SER A 77 14.392 0.486 -5.321 1.00 0.00 C ATOM 844 OG SER A 77 13.481 -0.535 -5.690 1.00 0.00 O ATOM 0 H SER A 77 15.214 2.922 -4.330 1.00 0.00 H new ATOM 0 HA SER A 77 12.723 1.321 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.630 1.098 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.326 0.039 -4.981 1.00 0.00 H new ATOM 0 HG SER A 77 13.875 -1.084 -6.400 1.00 0.00 H new ATOM 850 N ILE A 78 13.445 0.019 -2.232 1.00 0.00 N ATOM 851 CA ILE A 78 13.764 -0.539 -0.923 1.00 0.00 C ATOM 852 C ILE A 78 13.942 -2.056 -0.988 1.00 0.00 C ATOM 853 O ILE A 78 14.049 -2.719 0.043 1.00 0.00 O ATOM 854 CB ILE A 78 12.672 -0.205 0.112 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.336 -0.829 -0.300 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.534 1.302 0.268 1.00 0.00 C ATOM 857 CD1 ILE A 78 11.053 -2.152 0.379 1.00 0.00 C ATOM 0 H ILE A 78 12.553 -0.292 -2.617 1.00 0.00 H new ATOM 0 HA ILE A 78 14.704 -0.083 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 78 12.964 -0.626 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.531 -0.131 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.330 -0.975 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.759 1.522 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.482 1.721 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.262 1.744 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.091 -2.536 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.838 -2.865 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.026 -2.008 1.459 1.00 0.00 H new ATOM 869 N LYS A 79 13.970 -2.602 -2.200 1.00 0.00 N ATOM 870 CA LYS A 79 14.133 -4.039 -2.387 1.00 0.00 C ATOM 871 C LYS A 79 15.444 -4.522 -1.774 1.00 0.00 C ATOM 872 O LYS A 79 15.558 -5.675 -1.357 1.00 0.00 O ATOM 873 CB LYS A 79 14.091 -4.390 -3.876 1.00 0.00 C ATOM 874 CG LYS A 79 12.711 -4.805 -4.363 1.00 0.00 C ATOM 875 CD LYS A 79 12.576 -6.318 -4.435 1.00 0.00 C ATOM 876 CE LYS A 79 11.681 -6.743 -5.586 1.00 0.00 C ATOM 877 NZ LYS A 79 10.951 -8.006 -5.285 1.00 0.00 N ATOM 0 H LYS A 79 13.882 -2.071 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 79 13.309 -4.542 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.428 -3.529 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.795 -5.199 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.951 -4.403 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.527 -4.375 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.562 -6.767 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.167 -6.693 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.963 -5.951 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.284 -6.877 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.351 -8.262 -6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.635 -8.768 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.356 -7.871 -4.443 1.00 0.00 H new ATOM 891 N GLY A 80 16.432 -3.633 -1.722 1.00 0.00 N ATOM 892 CA GLY A 80 17.722 -3.989 -1.158 1.00 0.00 C ATOM 893 C GLY A 80 18.016 -3.247 0.131 1.00 0.00 C ATOM 894 O GLY A 80 19.159 -2.877 0.396 1.00 0.00 O ATOM 0 H GLY A 80 16.362 -2.673 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.749 -5.062 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.505 -3.773 -1.885 1.00 0.00 H new ATOM 898 N LYS A 81 16.981 -3.029 0.936 1.00 0.00 N ATOM 899 CA LYS A 81 17.132 -2.327 2.204 1.00 0.00 C ATOM 900 C LYS A 81 16.500 -3.119 3.344 1.00 0.00 C ATOM 901 O LYS A 81 15.549 -3.872 3.136 1.00 0.00 O ATOM 902 CB LYS A 81 16.499 -0.936 2.121 1.00 0.00 C ATOM 903 CG LYS A 81 17.027 -0.096 0.971 1.00 0.00 C ATOM 904 CD LYS A 81 18.129 0.845 1.428 1.00 0.00 C ATOM 905 CE LYS A 81 18.209 2.080 0.546 1.00 0.00 C ATOM 906 NZ LYS A 81 19.606 2.582 0.416 1.00 0.00 N ATOM 0 H LYS A 81 16.028 -3.329 0.732 1.00 0.00 H new ATOM 0 HA LYS A 81 18.198 -2.222 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.419 -1.043 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.678 -0.408 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.408 -0.750 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.211 0.482 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.948 1.145 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.085 0.322 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.814 1.846 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.579 2.865 0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 19.617 3.425 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.975 2.830 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 20.203 1.842 -0.006 1.00 0.00 H new ATOM 920 N THR A 82 17.036 -2.944 4.548 1.00 0.00 N ATOM 921 CA THR A 82 16.522 -3.644 5.721 1.00 0.00 C ATOM 922 C THR A 82 15.394 -2.852 6.377 1.00 0.00 C ATOM 923 O THR A 82 15.123 -1.711 6.001 1.00 0.00 O ATOM 924 CB THR A 82 17.646 -3.883 6.729 1.00 0.00 C ATOM 925 OG1 THR A 82 18.908 -3.869 6.085 1.00 0.00 O ATOM 926 CG2 THR A 82 17.520 -5.200 7.464 1.00 0.00 C ATOM 0 H THR A 82 17.824 -2.325 4.737 1.00 0.00 H new ATOM 0 HA THR A 82 16.124 -4.605 5.395 1.00 0.00 H new ATOM 0 HB THR A 82 17.563 -3.072 7.453 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.615 -4.022 6.747 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.349 -5.307 8.164 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.578 -5.222 8.012 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.542 -6.021 6.747 1.00 0.00 H new ATOM 934 N LYS A 83 14.741 -3.466 7.359 1.00 0.00 N ATOM 935 CA LYS A 83 13.642 -2.819 8.067 1.00 0.00 C ATOM 936 C LYS A 83 14.096 -1.507 8.700 1.00 0.00 C ATOM 937 O LYS A 83 13.370 -0.514 8.685 1.00 0.00 O ATOM 938 CB LYS A 83 13.084 -3.751 9.145 1.00 0.00 C ATOM 939 CG LYS A 83 11.601 -3.558 9.408 1.00 0.00 C ATOM 940 CD LYS A 83 11.014 -4.730 10.177 1.00 0.00 C ATOM 941 CE LYS A 83 11.616 -4.842 11.569 1.00 0.00 C ATOM 942 NZ LYS A 83 11.906 -6.254 11.938 1.00 0.00 N ATOM 0 H LYS A 83 14.954 -4.410 7.682 1.00 0.00 H new ATOM 0 HA LYS A 83 12.858 -2.599 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.260 -4.784 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.633 -3.589 10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.447 -2.638 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.074 -3.443 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.933 -4.610 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.193 -5.654 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.536 -4.259 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.929 -4.411 12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.315 -6.286 12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.024 -6.806 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.581 -6.659 11.259 1.00 0.00 H new ATOM 956 N VAL A 84 15.304 -1.510 9.256 1.00 0.00 N ATOM 957 CA VAL A 84 15.855 -0.321 9.893 1.00 0.00 C ATOM 958 C VAL A 84 16.270 0.716 8.854 1.00 0.00 C ATOM 959 O VAL A 84 16.163 1.920 9.089 1.00 0.00 O ATOM 960 CB VAL A 84 17.071 -0.665 10.772 1.00 0.00 C ATOM 961 CG1 VAL A 84 16.630 -1.380 12.039 1.00 0.00 C ATOM 962 CG2 VAL A 84 18.071 -1.507 9.994 1.00 0.00 C ATOM 0 H VAL A 84 15.919 -2.323 9.278 1.00 0.00 H new ATOM 0 HA VAL A 84 15.068 0.093 10.523 1.00 0.00 H new ATOM 0 HB VAL A 84 17.562 0.264 11.061 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.504 -1.615 12.647 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.957 -0.736 12.605 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.113 -2.303 11.775 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.924 -1.740 10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.594 -2.433 9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.412 -0.952 9.120 1.00 0.00 H new ATOM 972 N GLU A 85 16.745 0.241 7.708 1.00 0.00 N ATOM 973 CA GLU A 85 17.175 1.128 6.633 1.00 0.00 C ATOM 974 C GLU A 85 15.985 1.861 6.023 1.00 0.00 C ATOM 975 O GLU A 85 15.993 3.086 5.904 1.00 0.00 O ATOM 976 CB GLU A 85 17.909 0.332 5.552 1.00 0.00 C ATOM 977 CG GLU A 85 19.229 -0.258 6.021 1.00 0.00 C ATOM 978 CD GLU A 85 20.180 0.792 6.560 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.965 1.346 5.764 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.138 1.060 7.779 1.00 0.00 O ATOM 0 H GLU A 85 16.842 -0.753 7.499 1.00 0.00 H new ATOM 0 HA GLU A 85 17.855 1.868 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.263 -0.475 5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.095 0.982 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.036 -1.000 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.704 -0.781 5.191 1.00 0.00 H new ATOM 987 N VAL A 86 14.962 1.103 5.641 1.00 0.00 N ATOM 988 CA VAL A 86 13.765 1.681 5.046 1.00 0.00 C ATOM 989 C VAL A 86 13.042 2.584 6.040 1.00 0.00 C ATOM 990 O VAL A 86 12.672 3.713 5.714 1.00 0.00 O ATOM 991 CB VAL A 86 12.794 0.588 4.558 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.585 1.205 3.873 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.506 -0.378 3.623 1.00 0.00 C ATOM 0 H VAL A 86 14.939 0.087 5.733 1.00 0.00 H new ATOM 0 HA VAL A 86 14.090 2.273 4.190 1.00 0.00 H new ATOM 0 HB VAL A 86 12.443 0.031 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.914 0.414 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.060 1.852 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.913 1.791 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.806 -1.143 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.889 0.167 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.335 -0.851 4.150 1.00 0.00 H new ATOM 1003 N ALA A 87 12.843 2.081 7.255 1.00 0.00 N ATOM 1004 CA ALA A 87 12.164 2.842 8.299 1.00 0.00 C ATOM 1005 C ALA A 87 12.812 4.210 8.494 1.00 0.00 C ATOM 1006 O ALA A 87 12.131 5.236 8.496 1.00 0.00 O ATOM 1007 CB ALA A 87 12.167 2.063 9.605 1.00 0.00 C ATOM 0 H ALA A 87 13.143 1.149 7.541 1.00 0.00 H new ATOM 0 HA ALA A 87 11.132 3.001 7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.657 2.642 10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.651 1.114 9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.195 1.874 9.914 1.00 0.00 H new ATOM 1013 N LYS A 88 14.131 4.215 8.654 1.00 0.00 N ATOM 1014 CA LYS A 88 14.871 5.457 8.845 1.00 0.00 C ATOM 1015 C LYS A 88 14.763 6.344 7.611 1.00 0.00 C ATOM 1016 O LYS A 88 14.784 7.571 7.712 1.00 0.00 O ATOM 1017 CB LYS A 88 16.339 5.156 9.151 1.00 0.00 C ATOM 1018 CG LYS A 88 16.687 5.263 10.629 1.00 0.00 C ATOM 1019 CD LYS A 88 17.569 4.109 11.083 1.00 0.00 C ATOM 1020 CE LYS A 88 16.832 3.186 12.040 1.00 0.00 C ATOM 1021 NZ LYS A 88 17.172 3.471 13.461 1.00 0.00 N ATOM 0 H LYS A 88 14.709 3.374 8.655 1.00 0.00 H new ATOM 0 HA LYS A 88 14.436 5.989 9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.576 4.151 8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.968 5.845 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.198 6.207 10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.771 5.275 11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.903 3.542 10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.462 4.502 11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.757 3.296 11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.080 2.150 11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.649 2.820 14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.194 3.341 13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.912 4.451 13.690 1.00 0.00 H new ATOM 1035 N MET A 89 14.647 5.717 6.445 1.00 0.00 N ATOM 1036 CA MET A 89 14.534 6.450 5.190 1.00 0.00 C ATOM 1037 C MET A 89 13.284 7.321 5.181 1.00 0.00 C ATOM 1038 O MET A 89 13.318 8.470 4.738 1.00 0.00 O ATOM 1039 CB MET A 89 14.500 5.479 4.008 1.00 0.00 C ATOM 1040 CG MET A 89 15.022 6.076 2.712 1.00 0.00 C ATOM 1041 SD MET A 89 16.053 4.926 1.781 1.00 0.00 S ATOM 1042 CE MET A 89 14.859 4.272 0.615 1.00 0.00 C ATOM 0 H MET A 89 14.629 4.702 6.343 1.00 0.00 H new ATOM 0 HA MET A 89 15.407 7.096 5.096 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.092 4.598 4.256 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.475 5.142 3.855 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.179 6.384 2.093 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.598 6.974 2.936 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.311 3.457 0.050 1.00 0.00 H new ATOM 0 HE2 MET A 89 13.989 3.900 1.156 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.550 5.061 -0.071 1.00 0.00 H new ATOM 1052 N ILE A 90 12.178 6.768 5.672 1.00 0.00 N ATOM 1053 CA ILE A 90 10.916 7.496 5.720 1.00 0.00 C ATOM 1054 C ILE A 90 10.944 8.566 6.804 1.00 0.00 C ATOM 1055 O ILE A 90 10.384 9.649 6.635 1.00 0.00 O ATOM 1056 CB ILE A 90 9.725 6.551 5.982 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.857 5.270 5.153 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.413 7.255 5.668 1.00 0.00 C ATOM 1059 CD1 ILE A 90 10.098 5.521 3.679 1.00 0.00 C ATOM 0 H ILE A 90 12.131 5.819 6.042 1.00 0.00 H new ATOM 0 HA ILE A 90 10.787 7.967 4.745 1.00 0.00 H new ATOM 0 HB ILE A 90 9.730 6.276 7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.679 4.674 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.949 4.678 5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.581 6.576 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.313 8.137 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.404 7.557 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.181 4.568 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.265 6.090 3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 90 11.022 6.086 3.552 1.00 0.00 H new ATOM 1071 N GLN A 91 11.599 8.256 7.919 1.00 0.00 N ATOM 1072 CA GLN A 91 11.700 9.193 9.032 1.00 0.00 C ATOM 1073 C GLN A 91 12.679 10.318 8.713 1.00 0.00 C ATOM 1074 O GLN A 91 12.547 11.431 9.220 1.00 0.00 O ATOM 1075 CB GLN A 91 12.142 8.462 10.301 1.00 0.00 C ATOM 1076 CG GLN A 91 10.992 7.841 11.077 1.00 0.00 C ATOM 1077 CD GLN A 91 11.368 7.506 12.506 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.460 7.838 12.968 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.462 6.843 13.216 1.00 0.00 N ATOM 0 H GLN A 91 12.067 7.363 8.075 1.00 0.00 H new ATOM 0 HA GLN A 91 10.715 9.630 9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.852 7.680 10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.670 9.162 10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.147 8.529 11.079 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.664 6.934 10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.570 6.588 12.793 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.659 6.589 14.184 1.00 0.00 H new ATOM 1088 N GLU A 92 13.663 10.022 7.867 1.00 0.00 N ATOM 1089 CA GLU A 92 14.662 11.011 7.482 1.00 0.00 C ATOM 1090 C GLU A 92 14.148 11.895 6.351 1.00 0.00 C ATOM 1091 O GLU A 92 14.274 13.117 6.398 1.00 0.00 O ATOM 1092 CB GLU A 92 15.958 10.318 7.053 1.00 0.00 C ATOM 1093 CG GLU A 92 16.635 9.544 8.173 1.00 0.00 C ATOM 1094 CD GLU A 92 17.903 10.215 8.662 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.804 10.458 7.830 1.00 0.00 O ATOM 1096 OE2 GLU A 92 17.998 10.495 9.875 1.00 0.00 O ATOM 0 H GLU A 92 13.788 9.106 7.436 1.00 0.00 H new ATOM 0 HA GLU A 92 14.863 11.641 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.740 9.636 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.651 11.067 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.941 9.436 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.872 8.539 7.824 1.00 0.00 H new ATOM 1103 N VAL A 93 13.566 11.266 5.334 1.00 0.00 N ATOM 1104 CA VAL A 93 13.033 11.993 4.189 1.00 0.00 C ATOM 1105 C VAL A 93 11.974 13.003 4.623 1.00 0.00 C ATOM 1106 O VAL A 93 11.243 12.777 5.587 1.00 0.00 O ATOM 1107 CB VAL A 93 12.420 11.032 3.149 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.258 10.258 3.753 1.00 0.00 C ATOM 1109 CG2 VAL A 93 11.976 11.796 1.911 1.00 0.00 C ATOM 0 H VAL A 93 13.452 10.254 5.281 1.00 0.00 H new ATOM 0 HA VAL A 93 13.869 12.523 3.733 1.00 0.00 H new ATOM 0 HB VAL A 93 13.185 10.316 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.840 9.586 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.612 9.677 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.489 10.956 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.546 11.101 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.228 12.538 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.835 12.297 1.465 1.00 0.00 H new ATOM 1119 N LYS A 94 11.900 14.119 3.905 1.00 0.00 N ATOM 1120 CA LYS A 94 10.932 15.166 4.214 1.00 0.00 C ATOM 1121 C LYS A 94 10.028 15.442 3.017 1.00 0.00 C ATOM 1122 O LYS A 94 10.098 14.749 2.002 1.00 0.00 O ATOM 1123 CB LYS A 94 11.653 16.449 4.630 1.00 0.00 C ATOM 1124 CG LYS A 94 12.654 16.247 5.756 1.00 0.00 C ATOM 1125 CD LYS A 94 11.986 16.337 7.119 1.00 0.00 C ATOM 1126 CE LYS A 94 12.912 16.956 8.153 1.00 0.00 C ATOM 1127 NZ LYS A 94 12.321 16.924 9.520 1.00 0.00 N ATOM 0 H LYS A 94 12.499 14.322 3.105 1.00 0.00 H new ATOM 0 HA LYS A 94 10.313 14.821 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.171 16.862 3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.913 17.187 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.133 15.274 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.440 16.999 5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.076 16.932 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.688 15.341 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.862 16.421 8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.128 17.988 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.984 17.356 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.427 17.456 9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.138 15.938 9.796 1.00 0.00 H new ATOM 1141 N GLY A 95 9.180 16.458 3.144 1.00 0.00 N ATOM 1142 CA GLY A 95 8.274 16.806 2.065 1.00 0.00 C ATOM 1143 C GLY A 95 7.353 15.663 1.690 1.00 0.00 C ATOM 1144 O GLY A 95 6.861 14.943 2.557 1.00 0.00 O ATOM 0 H GLY A 95 9.104 17.046 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.676 17.668 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.853 17.104 1.191 1.00 0.00 H new ATOM 1148 N GLU A 96 7.119 15.496 0.392 1.00 0.00 N ATOM 1149 CA GLU A 96 6.250 14.432 -0.096 1.00 0.00 C ATOM 1150 C GLU A 96 6.951 13.080 -0.020 1.00 0.00 C ATOM 1151 O GLU A 96 8.042 12.903 -0.560 1.00 0.00 O ATOM 1152 CB GLU A 96 5.820 14.717 -1.537 1.00 0.00 C ATOM 1153 CG GLU A 96 6.980 15.031 -2.468 1.00 0.00 C ATOM 1154 CD GLU A 96 6.631 14.810 -3.927 1.00 0.00 C ATOM 1155 OE1 GLU A 96 5.498 15.150 -4.325 1.00 0.00 O ATOM 1156 OE2 GLU A 96 7.492 14.295 -4.671 1.00 0.00 O ATOM 0 H GLU A 96 7.519 16.083 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 96 5.365 14.398 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.279 13.853 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.125 15.557 -1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.287 16.067 -2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.833 14.406 -2.203 1.00 0.00 H new ATOM 1163 N VAL A 97 6.316 12.128 0.657 1.00 0.00 N ATOM 1164 CA VAL A 97 6.880 10.791 0.804 1.00 0.00 C ATOM 1165 C VAL A 97 6.130 9.781 -0.059 1.00 0.00 C ATOM 1166 O VAL A 97 4.992 9.418 0.239 1.00 0.00 O ATOM 1167 CB VAL A 97 6.840 10.324 2.271 1.00 0.00 C ATOM 1168 CG1 VAL A 97 7.591 9.011 2.435 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.417 11.392 3.189 1.00 0.00 C ATOM 0 H VAL A 97 5.412 12.257 1.112 1.00 0.00 H new ATOM 0 HA VAL A 97 7.918 10.847 0.476 1.00 0.00 H new ATOM 0 HB VAL A 97 5.799 10.160 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.552 8.697 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.130 8.247 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.630 9.147 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.380 11.043 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.452 11.591 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.833 12.308 3.094 1.00 0.00 H new ATOM 1179 N THR A 98 6.777 9.330 -1.129 1.00 0.00 N ATOM 1180 CA THR A 98 6.171 8.361 -2.034 1.00 0.00 C ATOM 1181 C THR A 98 6.370 6.938 -1.522 1.00 0.00 C ATOM 1182 O THR A 98 7.308 6.665 -0.771 1.00 0.00 O ATOM 1183 CB THR A 98 6.767 8.500 -3.436 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.896 9.864 -3.792 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.941 7.823 -4.507 1.00 0.00 C ATOM 0 H THR A 98 7.720 9.620 -1.390 1.00 0.00 H new ATOM 0 HA THR A 98 5.101 8.564 -2.080 1.00 0.00 H new ATOM 0 HB THR A 98 7.740 8.010 -3.386 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.280 9.933 -4.691 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.420 7.960 -5.477 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.863 6.758 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.944 8.262 -4.530 1.00 0.00 H new ATOM 1193 N ILE A 99 5.483 6.037 -1.931 1.00 0.00 N ATOM 1194 CA ILE A 99 5.561 4.642 -1.513 1.00 0.00 C ATOM 1195 C ILE A 99 5.135 3.708 -2.641 1.00 0.00 C ATOM 1196 O ILE A 99 4.003 3.774 -3.120 1.00 0.00 O ATOM 1197 CB ILE A 99 4.676 4.375 -0.279 1.00 0.00 C ATOM 1198 CG1 ILE A 99 4.960 5.407 0.814 1.00 0.00 C ATOM 1199 CG2 ILE A 99 4.904 2.964 0.243 1.00 0.00 C ATOM 1200 CD1 ILE A 99 6.352 5.301 1.400 1.00 0.00 C ATOM 0 H ILE A 99 4.702 6.248 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 99 6.601 4.446 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 99 3.631 4.466 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.823 6.407 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.228 5.288 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.272 2.792 1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.654 2.243 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.950 2.845 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.482 6.063 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.487 4.314 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.091 5.450 0.612 1.00 0.00 H new ATOM 1212 N HIS A 100 6.049 2.841 -3.061 1.00 0.00 N ATOM 1213 CA HIS A 100 5.766 1.893 -4.132 1.00 0.00 C ATOM 1214 C HIS A 100 5.159 0.609 -3.576 1.00 0.00 C ATOM 1215 O HIS A 100 5.872 -0.354 -3.290 1.00 0.00 O ATOM 1216 CB HIS A 100 7.044 1.569 -4.909 1.00 0.00 C ATOM 1217 CG HIS A 100 7.543 2.711 -5.740 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.026 3.025 -6.978 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.522 3.618 -5.503 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.663 4.072 -7.469 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.576 4.452 -6.593 1.00 0.00 N ATOM 0 H HIS A 100 6.992 2.775 -2.677 1.00 0.00 H new ATOM 0 HA HIS A 100 5.045 2.354 -4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.823 1.274 -4.206 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.859 0.712 -5.557 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.268 2.526 -7.443 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.144 3.674 -4.622 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.471 4.538 -8.424 1.00 0.00 H new ATOM 1230 N TYR A 101 3.839 0.602 -3.424 1.00 0.00 N ATOM 1231 CA TYR A 101 3.137 -0.565 -2.901 1.00 0.00 C ATOM 1232 C TYR A 101 2.512 -1.377 -4.030 1.00 0.00 C ATOM 1233 O TYR A 101 2.042 -0.820 -5.022 1.00 0.00 O ATOM 1234 CB TYR A 101 2.055 -0.132 -1.909 1.00 0.00 C ATOM 1235 CG TYR A 101 0.960 0.703 -2.534 1.00 0.00 C ATOM 1236 CD1 TYR A 101 -0.158 0.104 -3.101 1.00 0.00 C ATOM 1237 CD2 TYR A 101 1.043 2.089 -2.556 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -1.161 0.862 -3.673 1.00 0.00 C ATOM 1239 CE2 TYR A 101 0.043 2.855 -3.126 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.055 2.237 -3.683 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.053 2.996 -4.252 1.00 0.00 O ATOM 0 H TYR A 101 3.234 1.390 -3.655 1.00 0.00 H new ATOM 0 HA TYR A 101 3.863 -1.194 -2.386 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.611 -1.020 -1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.519 0.437 -1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.244 -0.973 -3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.903 2.577 -2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.023 0.381 -4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.122 3.932 -3.135 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.910 2.529 -4.164 1.00 0.00 H new ATOM 1251 N ASN A 102 2.510 -2.697 -3.872 1.00 0.00 N ATOM 1252 CA ASN A 102 1.943 -3.587 -4.879 1.00 0.00 C ATOM 1253 C ASN A 102 0.806 -4.418 -4.292 1.00 0.00 C ATOM 1254 O ASN A 102 1.003 -5.178 -3.343 1.00 0.00 O ATOM 1255 CB ASN A 102 3.025 -4.511 -5.442 1.00 0.00 C ATOM 1256 CG ASN A 102 4.085 -3.751 -6.216 1.00 0.00 C ATOM 1257 OD1 ASN A 102 4.173 -3.858 -7.439 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.901 -2.981 -5.504 1.00 0.00 N ATOM 0 H ASN A 102 2.895 -3.174 -3.056 1.00 0.00 H new ATOM 0 HA ASN A 102 1.543 -2.973 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.496 -5.056 -4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.563 -5.252 -6.094 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.636 -2.449 -5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.792 -2.922 -4.492 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.386 -4.268 -4.862 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.556 -5.003 -4.394 1.00 0.00 C ATOM 1267 C LYS A 103 -1.470 -6.472 -4.796 1.00 0.00 C ATOM 1268 O LYS A 103 -1.183 -6.795 -5.949 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.835 -4.381 -4.960 1.00 0.00 C ATOM 1270 CG LYS A 103 -2.907 -2.874 -4.784 1.00 0.00 C ATOM 1271 CD LYS A 103 -3.498 -2.196 -6.010 1.00 0.00 C ATOM 1272 CE LYS A 103 -4.969 -2.541 -6.186 1.00 0.00 C ATOM 1273 NZ LYS A 103 -5.241 -3.140 -7.522 1.00 0.00 N ATOM 0 H LYS A 103 -0.567 -3.644 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.582 -4.943 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.906 -4.618 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.697 -4.837 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.513 -2.638 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.908 -2.481 -4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.385 -1.116 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.944 -2.500 -6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.275 -3.238 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.571 -1.641 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.186 -3.575 -7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.202 -2.398 -8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.526 -3.866 -7.729 1.00 0.00 H new ATOM 1287 N LEU A 104 -1.721 -7.358 -3.836 1.00 0.00 N ATOM 1288 CA LEU A 104 -1.672 -8.793 -4.091 1.00 0.00 C ATOM 1289 C LEU A 104 -3.077 -9.383 -4.152 1.00 0.00 C ATOM 1290 O LEU A 104 -4.070 -8.664 -4.027 1.00 0.00 O ATOM 1291 CB LEU A 104 -0.858 -9.497 -3.003 1.00 0.00 C ATOM 1292 CG LEU A 104 0.628 -9.134 -2.970 1.00 0.00 C ATOM 1293 CD1 LEU A 104 1.130 -9.065 -1.536 1.00 0.00 C ATOM 1294 CD2 LEU A 104 1.439 -10.141 -3.772 1.00 0.00 C ATOM 0 H LEU A 104 -1.960 -7.107 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.190 -8.949 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.296 -9.261 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.950 -10.574 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 104 0.753 -8.151 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.189 -8.806 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.569 -8.306 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.993 -10.034 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.494 -9.868 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.308 -11.136 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.097 -10.142 -4.807 1.00 0.00 H new ATOM 1307 N GLU B 121 7.204 -8.057 14.751 1.00 0.00 N ATOM 1308 CA GLU B 121 7.606 -6.710 15.147 1.00 0.00 C ATOM 1309 C GLU B 121 7.769 -5.810 13.927 1.00 0.00 C ATOM 1310 O GLU B 121 8.808 -5.825 13.267 1.00 0.00 O ATOM 1311 CB GLU B 121 8.914 -6.760 15.938 1.00 0.00 C ATOM 1312 CG GLU B 121 10.075 -7.356 15.159 1.00 0.00 C ATOM 1313 CD GLU B 121 10.914 -8.303 15.996 1.00 0.00 C ATOM 1314 OE1 GLU B 121 11.285 -7.926 17.127 1.00 0.00 O ATOM 1315 OE2 GLU B 121 11.195 -9.423 15.519 1.00 0.00 O ATOM 0 HA GLU B 121 6.822 -6.294 15.779 1.00 0.00 H new ATOM 0 HB2 GLU B 121 9.178 -5.750 16.251 1.00 0.00 H new ATOM 0 HB3 GLU B 121 8.758 -7.344 16.845 1.00 0.00 H new ATOM 0 HG2 GLU B 121 9.689 -7.890 14.290 1.00 0.00 H new ATOM 0 HG3 GLU B 121 10.707 -6.551 14.784 1.00 0.00 H new ATOM 1322 N SER B 122 6.736 -5.027 13.635 1.00 0.00 N ATOM 1323 CA SER B 122 6.765 -4.119 12.495 1.00 0.00 C ATOM 1324 C SER B 122 7.210 -2.724 12.922 1.00 0.00 C ATOM 1325 O SER B 122 6.891 -2.269 14.020 1.00 0.00 O ATOM 1326 CB SER B 122 5.386 -4.046 11.838 1.00 0.00 C ATOM 1327 OG SER B 122 4.393 -3.666 12.774 1.00 0.00 O ATOM 0 H SER B 122 5.869 -5.003 14.172 1.00 0.00 H new ATOM 0 HA SER B 122 7.484 -4.506 11.773 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.409 -3.330 11.017 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.133 -5.015 11.408 1.00 0.00 H new ATOM 0 HG SER B 122 3.521 -3.625 12.328 1.00 0.00 H new ATOM 1333 N VAL B 123 7.949 -2.050 12.047 1.00 0.00 N ATOM 1334 CA VAL B 123 8.440 -0.708 12.334 1.00 0.00 C ATOM 1335 C VAL B 123 7.510 0.353 11.755 1.00 0.00 C ATOM 1336 O VAL B 123 7.308 0.421 10.542 1.00 0.00 O ATOM 1337 CB VAL B 123 9.857 -0.493 11.771 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.427 0.834 12.247 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.769 -1.646 12.164 1.00 0.00 C ATOM 0 H VAL B 123 8.221 -2.412 11.133 1.00 0.00 H new ATOM 0 HA VAL B 123 8.470 -0.610 13.419 1.00 0.00 H new ATOM 0 HB VAL B 123 9.794 -0.464 10.683 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.429 0.967 11.838 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.786 1.648 11.908 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.476 0.839 13.336 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.766 -1.476 11.757 1.00 0.00 H new ATOM 0 HG22 VAL B 123 10.827 -1.710 13.251 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.369 -2.578 11.766 1.00 0.00 H new ATOM 1349 N LYS B 124 6.947 1.180 12.630 1.00 0.00 N ATOM 1350 CA LYS B 124 6.039 2.239 12.205 1.00 0.00 C ATOM 1351 C LYS B 124 6.803 3.528 11.924 1.00 0.00 C ATOM 1352 O LYS B 124 7.599 3.981 12.747 1.00 0.00 O ATOM 1353 CB LYS B 124 4.974 2.487 13.275 1.00 0.00 C ATOM 1354 CG LYS B 124 3.644 2.959 12.711 1.00 0.00 C ATOM 1355 CD LYS B 124 3.652 4.456 12.442 1.00 0.00 C ATOM 1356 CE LYS B 124 3.270 5.248 13.684 1.00 0.00 C ATOM 1357 NZ LYS B 124 4.355 5.234 14.705 1.00 0.00 N ATOM 0 H LYS B 124 7.103 1.137 13.637 1.00 0.00 H new ATOM 0 HA LYS B 124 5.551 1.918 11.285 1.00 0.00 H new ATOM 0 HB2 LYS B 124 4.815 1.567 13.837 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.345 3.231 13.980 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.429 2.423 11.786 1.00 0.00 H new ATOM 0 HG3 LYS B 124 2.845 2.719 13.412 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.643 4.761 12.105 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.956 4.685 11.635 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.048 6.278 13.404 1.00 0.00 H new ATOM 0 HE3 LYS B 124 2.360 4.831 14.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.281 6.083 15.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.263 4.385 15.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 5.280 5.225 14.229 1.00 0.00 H new ATOM 1371 N ILE B 125 6.557 4.115 10.757 1.00 0.00 N ATOM 1372 CA ILE B 125 7.223 5.353 10.370 1.00 0.00 C ATOM 1373 C ILE B 125 6.302 6.234 9.533 1.00 0.00 C ATOM 1374 O ILE B 125 6.689 7.386 9.242 1.00 0.00 O ATOM 1375 CB ILE B 125 8.513 5.075 9.573 1.00 0.00 C ATOM 1376 CG1 ILE B 125 8.266 3.999 8.514 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.636 4.656 10.509 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.376 4.457 7.381 1.00 0.00 C ATOM 1379 OXT ILE B 125 5.201 5.766 9.175 1.00 0.00 O ATOM 0 H ILE B 125 5.902 3.753 10.064 1.00 0.00 H new ATOM 0 HA ILE B 125 7.481 5.873 11.292 1.00 0.00 H new ATOM 0 HB ILE B 125 8.812 5.993 9.067 1.00 0.00 H new ATOM 0 HG12 ILE B 125 9.224 3.677 8.105 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.814 3.129 8.991 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.539 4.464 9.930 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.828 5.453 11.227 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.347 3.750 11.042 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.245 3.642 6.669 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.404 4.751 7.778 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.836 5.308 6.878 1.00 0.00 H new