USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 522 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.165) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0.073) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl -137:sc= -0.401 (180deg=-3.26!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ -164:sc= -0.0111 (180deg=-0.213) USER MOD Single : B 53 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.61) USER MOD Single : B 54 ASN : amide:sc=-0.00309 X(o=-0.0031,f=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -170:sc= -4.46 (180deg=-5.31!) USER MOD Single : B 67 MET CE :methyl -114:sc= -2.12 (180deg=-4.63!) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 15.952 10.905 6.375 1.00 0.00 C HETATM 2 O ACE A 1 15.415 10.041 7.077 1.00 0.00 O HETATM 3 CH3 ACE A 1 16.830 12.041 7.015 1.00 0.00 C HETATM 0 H1 ACE A 1 17.843 11.986 6.617 1.00 0.00 H new HETATM 0 H2 ACE A 1 16.398 13.013 6.776 1.00 0.00 H new HETATM 0 H3 ACE A 1 16.858 11.913 8.097 1.00 0.00 H new ATOM 7 N LYS A 2 15.865 10.873 5.034 1.00 0.00 N ATOM 8 CA LYS A 2 15.132 9.804 4.282 1.00 0.00 C ATOM 9 C LYS A 2 16.138 8.691 3.814 1.00 0.00 C ATOM 10 O LYS A 2 17.282 8.975 3.443 1.00 0.00 O ATOM 11 CB LYS A 2 14.315 10.422 3.103 1.00 0.00 C ATOM 12 CG LYS A 2 15.075 10.617 1.757 1.00 0.00 C ATOM 13 CD LYS A 2 14.163 10.824 0.526 1.00 0.00 C ATOM 14 CE LYS A 2 14.963 10.712 -0.785 1.00 0.00 C ATOM 15 NZ LYS A 2 15.345 12.075 -1.243 1.00 0.00 N ATOM 0 H LYS A 2 16.293 11.576 4.431 1.00 0.00 H new ATOM 0 HA LYS A 2 14.407 9.325 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.450 9.786 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.934 11.392 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.737 11.478 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.707 9.746 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.365 10.082 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.688 11.803 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.854 10.104 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.366 10.213 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.886 12.005 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.487 12.640 -1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.930 12.534 -0.516 1.00 0.00 H new ATOM 29 N SER A 3 15.690 7.423 3.786 1.00 0.00 N ATOM 30 CA SER A 3 16.333 6.338 2.980 1.00 0.00 C ATOM 31 C SER A 3 15.561 6.048 1.643 1.00 0.00 C ATOM 32 O SER A 3 14.771 6.872 1.168 1.00 0.00 O ATOM 33 CB SER A 3 16.478 5.119 3.922 1.00 0.00 C ATOM 34 OG SER A 3 17.841 4.839 4.260 1.00 0.00 O ATOM 0 H SER A 3 14.876 7.110 4.315 1.00 0.00 H new ATOM 0 HA SER A 3 17.321 6.634 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.912 5.302 4.835 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.039 4.243 3.445 1.00 0.00 H new ATOM 0 HG SER A 3 17.877 4.063 4.857 1.00 0.00 H new ATOM 40 N GLU A 4 15.841 4.900 1.001 1.00 0.00 N ATOM 41 CA GLU A 4 14.940 4.295 -0.031 1.00 0.00 C ATOM 42 C GLU A 4 15.190 2.753 -0.193 1.00 0.00 C ATOM 43 O GLU A 4 14.284 1.991 -0.549 1.00 0.00 O ATOM 44 CB GLU A 4 14.905 5.127 -1.349 1.00 0.00 C ATOM 45 CG GLU A 4 14.617 4.446 -2.720 1.00 0.00 C ATOM 46 CD GLU A 4 14.267 5.446 -3.805 1.00 0.00 C ATOM 47 OE1 GLU A 4 15.197 6.051 -4.378 1.00 0.00 O ATOM 48 OE2 GLU A 4 13.103 5.512 -4.244 1.00 0.00 O ATOM 0 H GLU A 4 16.689 4.359 1.172 1.00 0.00 H new ATOM 0 HA GLU A 4 13.913 4.356 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.154 5.906 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.870 5.626 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.491 3.873 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.796 3.738 -2.605 1.00 0.00 H new ATOM 55 N GLU A 5 16.433 2.298 0.040 1.00 0.00 N ATOM 56 CA GLU A 5 16.787 0.843 0.032 1.00 0.00 C ATOM 57 C GLU A 5 15.791 -0.059 0.845 1.00 0.00 C ATOM 58 O GLU A 5 15.214 -1.017 0.317 1.00 0.00 O ATOM 59 CB GLU A 5 18.290 0.680 0.432 1.00 0.00 C ATOM 60 CG GLU A 5 18.779 -0.699 0.977 1.00 0.00 C ATOM 61 CD GLU A 5 20.222 -1.078 0.670 1.00 0.00 C ATOM 62 OE1 GLU A 5 20.959 -0.236 0.116 1.00 0.00 O ATOM 63 OE2 GLU A 5 20.621 -2.226 0.952 1.00 0.00 O ATOM 0 H GLU A 5 17.224 2.911 0.239 1.00 0.00 H new ATOM 0 HA GLU A 5 16.669 0.461 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.892 0.921 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 5 18.513 1.432 1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.648 -0.704 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.129 -1.475 0.573 1.00 0.00 H new ATOM 70 N GLU A 6 15.580 0.256 2.135 1.00 0.00 N ATOM 71 CA GLU A 6 14.770 -0.577 3.077 1.00 0.00 C ATOM 72 C GLU A 6 13.250 -0.679 2.691 1.00 0.00 C ATOM 73 O GLU A 6 12.625 -1.737 2.822 1.00 0.00 O ATOM 74 CB GLU A 6 15.037 -0.106 4.545 1.00 0.00 C ATOM 75 CG GLU A 6 13.842 -0.057 5.548 1.00 0.00 C ATOM 76 CD GLU A 6 13.549 -1.339 6.318 1.00 0.00 C ATOM 77 OE1 GLU A 6 14.487 -2.121 6.573 1.00 0.00 O ATOM 78 OE2 GLU A 6 12.381 -1.558 6.699 1.00 0.00 O ATOM 0 H GLU A 6 15.963 1.097 2.567 1.00 0.00 H new ATOM 0 HA GLU A 6 15.103 -1.612 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.797 -0.762 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.469 0.894 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.034 0.738 6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.944 0.223 4.996 1.00 0.00 H new ATOM 85 N LEU A 7 12.645 0.439 2.253 1.00 0.00 N ATOM 86 CA LEU A 7 11.259 0.471 1.689 1.00 0.00 C ATOM 87 C LEU A 7 11.185 -0.237 0.288 1.00 0.00 C ATOM 88 O LEU A 7 10.115 -0.662 -0.161 1.00 0.00 O ATOM 89 CB LEU A 7 10.751 1.945 1.633 1.00 0.00 C ATOM 90 CG LEU A 7 10.466 2.669 2.976 1.00 0.00 C ATOM 91 CD1 LEU A 7 11.708 3.450 3.435 1.00 0.00 C ATOM 92 CD2 LEU A 7 9.270 3.634 2.897 1.00 0.00 C ATOM 0 H LEU A 7 13.094 1.355 2.275 1.00 0.00 H new ATOM 0 HA LEU A 7 10.598 -0.094 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.490 2.532 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.834 1.960 1.044 1.00 0.00 H new ATOM 0 HG LEU A 7 10.216 1.890 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.494 3.953 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.541 2.761 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.971 4.191 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.121 4.109 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.468 4.398 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.372 3.079 2.623 1.00 0.00 H new ATOM 104 N ALA A 8 12.331 -0.360 -0.406 1.00 0.00 N ATOM 105 CA ALA A 8 12.451 -1.169 -1.659 1.00 0.00 C ATOM 106 C ALA A 8 12.293 -2.720 -1.458 1.00 0.00 C ATOM 107 O ALA A 8 11.379 -3.347 -2.005 1.00 0.00 O ATOM 108 CB ALA A 8 13.816 -0.785 -2.267 1.00 0.00 C ATOM 0 H ALA A 8 13.202 0.091 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 8 11.624 -0.937 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.972 -1.341 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.832 0.284 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.610 -1.026 -1.560 1.00 0.00 H new ATOM 114 N ASN A 9 13.195 -3.340 -0.679 1.00 0.00 N ATOM 115 CA ASN A 9 12.989 -4.697 -0.082 1.00 0.00 C ATOM 116 C ASN A 9 11.546 -4.904 0.503 1.00 0.00 C ATOM 117 O ASN A 9 10.868 -5.893 0.202 1.00 0.00 O ATOM 118 CB ASN A 9 14.099 -4.924 0.993 1.00 0.00 C ATOM 119 CG ASN A 9 15.520 -5.129 0.461 1.00 0.00 C ATOM 120 OD1 ASN A 9 15.729 -5.330 -0.729 1.00 0.00 O ATOM 121 ND2 ASN A 9 16.522 -5.043 1.298 1.00 0.00 N ATOM 0 H ASN A 9 14.094 -2.924 -0.437 1.00 0.00 H new ATOM 0 HA ASN A 9 13.073 -5.446 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.105 -4.067 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.827 -5.795 1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.479 -5.143 0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.346 -4.876 2.289 1.00 0.00 H new ATOM 128 N ALA A 10 11.096 -3.992 1.383 1.00 0.00 N ATOM 129 CA ALA A 10 9.769 -4.089 2.067 1.00 0.00 C ATOM 130 C ALA A 10 8.528 -4.054 1.104 1.00 0.00 C ATOM 131 O ALA A 10 7.505 -4.702 1.351 1.00 0.00 O ATOM 132 CB ALA A 10 9.754 -2.940 3.098 1.00 0.00 C ATOM 0 H ALA A 10 11.631 -3.165 1.648 1.00 0.00 H new ATOM 0 HA ALA A 10 9.666 -5.066 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.808 -2.949 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.576 -3.072 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.868 -1.987 2.582 1.00 0.00 H new ATOM 138 N PHE A 11 8.612 -3.275 0.010 1.00 0.00 N ATOM 139 CA PHE A 11 7.529 -3.177 -1.018 1.00 0.00 C ATOM 140 C PHE A 11 7.505 -4.424 -1.973 1.00 0.00 C ATOM 141 O PHE A 11 6.450 -4.830 -2.473 1.00 0.00 O ATOM 142 CB PHE A 11 7.702 -1.839 -1.812 1.00 0.00 C ATOM 143 CG PHE A 11 6.677 -1.515 -2.920 1.00 0.00 C ATOM 144 CD1 PHE A 11 5.465 -0.902 -2.582 1.00 0.00 C ATOM 145 CD2 PHE A 11 6.945 -1.800 -4.265 1.00 0.00 C ATOM 146 CE1 PHE A 11 4.569 -0.516 -3.576 1.00 0.00 C ATOM 147 CE2 PHE A 11 6.052 -1.402 -5.260 1.00 0.00 C ATOM 148 CZ PHE A 11 4.857 -0.779 -4.912 1.00 0.00 C ATOM 0 H PHE A 11 9.424 -2.693 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 11 6.563 -3.172 -0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.686 -1.020 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.693 -1.846 -2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.223 -0.727 -1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.847 -2.330 -4.533 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.651 -0.013 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.288 -1.577 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.152 -0.499 -5.680 1.00 0.00 H new ATOM 158 N ARG A 12 8.675 -5.044 -2.209 1.00 0.00 N ATOM 159 CA ARG A 12 8.803 -6.408 -2.808 1.00 0.00 C ATOM 160 C ARG A 12 8.293 -7.548 -1.855 1.00 0.00 C ATOM 161 O ARG A 12 7.850 -8.610 -2.306 1.00 0.00 O ATOM 162 CB ARG A 12 10.274 -6.631 -3.275 1.00 0.00 C ATOM 163 CG ARG A 12 10.653 -8.112 -3.535 1.00 0.00 C ATOM 164 CD ARG A 12 11.831 -8.268 -4.509 1.00 0.00 C ATOM 165 NE ARG A 12 11.294 -8.166 -5.894 1.00 0.00 N ATOM 166 CZ ARG A 12 11.843 -7.485 -6.889 1.00 0.00 C ATOM 167 NH1 ARG A 12 12.930 -6.775 -6.763 1.00 0.00 N ATOM 168 NH2 ARG A 12 11.269 -7.528 -8.048 1.00 0.00 N ATOM 0 H ARG A 12 9.575 -4.617 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 12 8.148 -6.462 -3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.441 -6.061 -4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.946 -6.225 -2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.906 -8.588 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.786 -8.638 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.578 -7.495 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.325 -9.228 -4.361 1.00 0.00 H new ATOM 0 HE ARG A 12 10.427 -8.664 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.404 -6.723 -5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.306 -6.271 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.418 -8.076 -8.176 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.668 -7.014 -8.834 1.00 0.00 H new ATOM 182 N ILE A 13 8.402 -7.346 -0.531 1.00 0.00 N ATOM 183 CA ILE A 13 8.107 -8.382 0.509 1.00 0.00 C ATOM 184 C ILE A 13 6.556 -8.489 0.743 1.00 0.00 C ATOM 185 O ILE A 13 6.006 -9.580 0.929 1.00 0.00 O ATOM 186 CB ILE A 13 8.915 -8.112 1.845 1.00 0.00 C ATOM 187 CG1 ILE A 13 10.447 -8.411 1.761 1.00 0.00 C ATOM 188 CG2 ILE A 13 8.339 -8.906 3.053 1.00 0.00 C ATOM 189 CD1 ILE A 13 10.917 -9.719 2.430 1.00 0.00 C ATOM 0 H ILE A 13 8.699 -6.454 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 13 8.448 -9.351 0.146 1.00 0.00 H new ATOM 0 HB ILE A 13 8.792 -7.039 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.735 -8.440 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.985 -7.579 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.926 -8.688 3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.303 -8.613 3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.384 -9.974 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.995 -9.822 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.671 -9.693 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.417 -10.567 1.962 1.00 0.00 H new ATOM 201 N PHE A 14 5.850 -7.344 0.705 1.00 0.00 N ATOM 202 CA PHE A 14 4.365 -7.275 0.872 1.00 0.00 C ATOM 203 C PHE A 14 3.643 -7.865 -0.392 1.00 0.00 C ATOM 204 O PHE A 14 2.531 -8.398 -0.306 1.00 0.00 O ATOM 205 CB PHE A 14 3.946 -5.792 1.114 1.00 0.00 C ATOM 206 CG PHE A 14 4.181 -5.211 2.522 1.00 0.00 C ATOM 207 CD1 PHE A 14 4.587 -6.049 3.566 1.00 0.00 C ATOM 208 CD2 PHE A 14 3.971 -3.852 2.779 1.00 0.00 C ATOM 209 CE1 PHE A 14 4.771 -5.538 4.848 1.00 0.00 C ATOM 210 CE2 PHE A 14 4.157 -3.340 4.061 1.00 0.00 C ATOM 211 CZ PHE A 14 4.555 -4.183 5.095 1.00 0.00 C ATOM 0 H PHE A 14 6.283 -6.432 0.558 1.00 0.00 H new ATOM 0 HA PHE A 14 4.066 -7.873 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.483 -5.169 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.885 -5.700 0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.759 -7.098 3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.663 -3.196 1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.081 -6.191 5.651 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.993 -2.290 4.253 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.697 -3.787 6.090 1.00 0.00 H new ATOM 221 N ASP A 15 4.284 -7.776 -1.571 1.00 0.00 N ATOM 222 CA ASP A 15 3.783 -8.373 -2.848 1.00 0.00 C ATOM 223 C ASP A 15 3.153 -9.798 -2.649 1.00 0.00 C ATOM 224 O ASP A 15 3.660 -10.622 -1.880 1.00 0.00 O ATOM 225 CB ASP A 15 4.960 -8.316 -3.872 1.00 0.00 C ATOM 226 CG ASP A 15 4.689 -8.877 -5.266 1.00 0.00 C ATOM 227 OD1 ASP A 15 3.625 -9.496 -5.465 1.00 0.00 O ATOM 228 OD2 ASP A 15 5.521 -8.687 -6.181 1.00 0.00 O ATOM 0 H ASP A 15 5.172 -7.286 -1.678 1.00 0.00 H new ATOM 0 HA ASP A 15 2.945 -7.798 -3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.267 -7.276 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.806 -8.856 -3.447 1.00 0.00 H new ATOM 233 N LYS A 16 2.054 -10.097 -3.365 1.00 0.00 N ATOM 234 CA LYS A 16 1.527 -11.490 -3.527 1.00 0.00 C ATOM 235 C LYS A 16 1.683 -11.933 -5.027 1.00 0.00 C ATOM 236 O LYS A 16 2.061 -13.072 -5.322 1.00 0.00 O ATOM 237 CB LYS A 16 0.055 -11.605 -3.005 1.00 0.00 C ATOM 238 CG LYS A 16 -1.096 -11.656 -4.055 1.00 0.00 C ATOM 239 CD LYS A 16 -2.477 -11.233 -3.512 1.00 0.00 C ATOM 240 CE LYS A 16 -2.852 -11.768 -2.122 1.00 0.00 C ATOM 241 NZ LYS A 16 -2.780 -13.257 -2.201 1.00 0.00 N ATOM 0 H LYS A 16 1.499 -9.393 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 16 2.111 -12.177 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.012 -12.505 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.132 -10.757 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.835 -11.009 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.169 -12.671 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.514 -10.144 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.238 -11.558 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.168 -11.387 -1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.854 -11.444 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.498 -13.673 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.956 -13.562 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.836 -13.575 -1.904 1.00 0.00 H new ATOM 255 N ASN A 17 1.444 -11.010 -5.976 1.00 0.00 N ATOM 256 CA ASN A 17 1.809 -11.192 -7.417 1.00 0.00 C ATOM 257 C ASN A 17 2.642 -10.011 -8.033 1.00 0.00 C ATOM 258 O ASN A 17 3.875 -10.061 -8.099 1.00 0.00 O ATOM 259 CB ASN A 17 0.508 -11.458 -8.238 1.00 0.00 C ATOM 260 CG ASN A 17 -0.057 -12.882 -8.398 1.00 0.00 C ATOM 261 OD1 ASN A 17 0.036 -13.692 -7.486 1.00 0.00 O ATOM 262 ND2 ASN A 17 -0.639 -13.244 -9.512 1.00 0.00 N ATOM 0 H ASN A 17 0.995 -10.116 -5.780 1.00 0.00 H new ATOM 0 HA ASN A 17 2.477 -12.051 -7.471 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.280 -10.851 -7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.680 -11.069 -9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.007 -14.190 -9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.724 -12.580 -10.282 1.00 0.00 H new ATOM 269 N ALA A 18 1.965 -8.925 -8.445 1.00 0.00 N ATOM 270 CA ALA A 18 2.580 -7.568 -8.585 1.00 0.00 C ATOM 271 C ALA A 18 3.559 -7.413 -9.805 1.00 0.00 C ATOM 272 O ALA A 18 4.784 -7.479 -9.656 1.00 0.00 O ATOM 273 CB ALA A 18 3.266 -7.286 -7.233 1.00 0.00 C ATOM 0 H ALA A 18 0.976 -8.950 -8.693 1.00 0.00 H new ATOM 0 HA ALA A 18 1.808 -6.833 -8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.740 -6.305 -7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.522 -7.306 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.022 -8.048 -7.043 1.00 0.00 H new ATOM 279 N ASP A 19 3.016 -7.144 -11.005 1.00 0.00 N ATOM 280 CA ASP A 19 3.790 -6.579 -12.155 1.00 0.00 C ATOM 281 C ASP A 19 4.448 -5.192 -11.822 1.00 0.00 C ATOM 282 O ASP A 19 5.371 -4.740 -12.510 1.00 0.00 O ATOM 283 CB ASP A 19 2.842 -6.572 -13.392 1.00 0.00 C ATOM 284 CG ASP A 19 2.496 -7.937 -13.989 1.00 0.00 C ATOM 285 OD1 ASP A 19 3.267 -8.893 -13.770 1.00 0.00 O ATOM 286 OD2 ASP A 19 1.445 -8.074 -14.651 1.00 0.00 O ATOM 0 H ASP A 19 2.032 -7.307 -11.218 1.00 0.00 H new ATOM 0 HA ASP A 19 4.654 -7.203 -12.383 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.913 -6.077 -13.108 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.301 -5.964 -14.172 1.00 0.00 H new ATOM 291 N GLY A 20 3.930 -4.484 -10.802 1.00 0.00 N ATOM 292 CA GLY A 20 4.407 -3.115 -10.423 1.00 0.00 C ATOM 293 C GLY A 20 3.741 -2.513 -9.133 1.00 0.00 C ATOM 294 O GLY A 20 4.373 -1.769 -8.375 1.00 0.00 O ATOM 0 H GLY A 20 3.173 -4.830 -10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.486 -3.151 -10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.223 -2.439 -11.258 1.00 0.00 H new ATOM 298 N TYR A 21 2.473 -2.870 -8.863 1.00 0.00 N ATOM 299 CA TYR A 21 1.602 -2.172 -7.866 1.00 0.00 C ATOM 300 C TYR A 21 1.306 -3.078 -6.616 1.00 0.00 C ATOM 301 O TYR A 21 1.444 -4.307 -6.667 1.00 0.00 O ATOM 302 CB TYR A 21 0.244 -1.739 -8.515 1.00 0.00 C ATOM 303 CG TYR A 21 0.303 -0.757 -9.703 1.00 0.00 C ATOM 304 CD1 TYR A 21 1.511 -0.585 -10.393 1.00 0.00 C ATOM 305 CD2 TYR A 21 -0.819 -0.024 -10.092 1.00 0.00 C ATOM 306 CE1 TYR A 21 1.584 0.314 -11.455 1.00 0.00 C ATOM 307 CE2 TYR A 21 -0.743 0.865 -11.167 1.00 0.00 C ATOM 308 CZ TYR A 21 0.462 1.025 -11.850 1.00 0.00 C ATOM 309 OH TYR A 21 0.556 1.919 -12.885 1.00 0.00 O ATOM 0 H TYR A 21 2.010 -3.652 -9.325 1.00 0.00 H new ATOM 0 HA TYR A 21 2.148 -1.288 -7.537 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.272 -2.640 -8.848 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.372 -1.289 -7.737 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.385 -1.149 -10.102 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.751 -0.145 -9.559 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.521 0.458 -11.973 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.615 1.427 -11.468 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.318 2.334 -13.039 1.00 0.00 H new ATOM 319 N ILE A 22 0.875 -2.475 -5.494 1.00 0.00 N ATOM 320 CA ILE A 22 0.316 -3.200 -4.310 1.00 0.00 C ATOM 321 C ILE A 22 -1.195 -2.822 -4.104 1.00 0.00 C ATOM 322 O ILE A 22 -1.536 -1.653 -3.882 1.00 0.00 O ATOM 323 CB ILE A 22 1.188 -2.968 -3.007 1.00 0.00 C ATOM 324 CG1 ILE A 22 2.649 -3.518 -3.088 1.00 0.00 C ATOM 325 CG2 ILE A 22 0.521 -3.568 -1.735 1.00 0.00 C ATOM 326 CD1 ILE A 22 3.551 -3.219 -1.873 1.00 0.00 C ATOM 0 H ILE A 22 0.900 -1.463 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 22 0.363 -4.271 -4.509 1.00 0.00 H new ATOM 0 HB ILE A 22 1.242 -1.882 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.603 -4.598 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.123 -3.105 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.157 -3.383 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.451 -3.100 -1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.389 -4.642 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.539 -3.647 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.640 -2.140 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.112 -3.658 -0.977 1.00 0.00 H new ATOM 338 N ASP A 23 -2.102 -3.815 -4.127 1.00 0.00 N ATOM 339 CA ASP A 23 -3.551 -3.608 -4.441 1.00 0.00 C ATOM 340 C ASP A 23 -4.469 -3.710 -3.170 1.00 0.00 C ATOM 341 O ASP A 23 -4.002 -3.978 -2.058 1.00 0.00 O ATOM 342 CB ASP A 23 -3.922 -4.591 -5.593 1.00 0.00 C ATOM 343 CG ASP A 23 -3.592 -6.065 -5.359 1.00 0.00 C ATOM 344 OD1 ASP A 23 -4.393 -6.785 -4.725 1.00 0.00 O ATOM 345 OD2 ASP A 23 -2.534 -6.520 -5.837 1.00 0.00 O ATOM 0 H ASP A 23 -1.864 -4.787 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.729 -2.589 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.992 -4.506 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.410 -4.265 -6.499 1.00 0.00 H new ATOM 350 N ILE A 24 -5.784 -3.482 -3.337 1.00 0.00 N ATOM 351 CA ILE A 24 -6.777 -3.509 -2.217 1.00 0.00 C ATOM 352 C ILE A 24 -6.961 -4.979 -1.689 1.00 0.00 C ATOM 353 O ILE A 24 -7.351 -5.201 -0.538 1.00 0.00 O ATOM 354 CB ILE A 24 -8.149 -2.825 -2.620 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.811 -1.967 -1.494 1.00 0.00 C ATOM 356 CG2 ILE A 24 -9.202 -3.860 -3.114 1.00 0.00 C ATOM 357 CD1 ILE A 24 -10.318 -1.685 -1.658 1.00 0.00 C ATOM 0 H ILE A 24 -6.200 -3.273 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.383 -2.911 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.861 -2.152 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.658 -2.473 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.287 -1.013 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.124 -3.343 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.816 -4.383 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.404 -4.580 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.669 -1.083 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -10.488 -1.145 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.864 -2.628 -1.681 1.00 0.00 H new ATOM 369 N GLU A 25 -6.737 -5.982 -2.556 1.00 0.00 N ATOM 370 CA GLU A 25 -6.722 -7.428 -2.173 1.00 0.00 C ATOM 371 C GLU A 25 -5.411 -7.876 -1.432 1.00 0.00 C ATOM 372 O GLU A 25 -5.402 -8.856 -0.679 1.00 0.00 O ATOM 373 CB GLU A 25 -7.091 -8.297 -3.421 1.00 0.00 C ATOM 374 CG GLU A 25 -8.453 -9.061 -3.432 1.00 0.00 C ATOM 375 CD GLU A 25 -8.426 -10.503 -2.939 1.00 0.00 C ATOM 376 OE1 GLU A 25 -7.337 -11.112 -2.906 1.00 0.00 O ATOM 377 OE2 GLU A 25 -9.495 -11.034 -2.574 1.00 0.00 O ATOM 0 H GLU A 25 -6.559 -5.825 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.488 -7.592 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.072 -7.645 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.299 -9.033 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.162 -8.504 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.839 -9.056 -4.451 1.00 0.00 H new ATOM 384 N GLU A 26 -4.283 -7.192 -1.698 1.00 0.00 N ATOM 385 CA GLU A 26 -3.035 -7.307 -0.879 1.00 0.00 C ATOM 386 C GLU A 26 -3.182 -6.755 0.584 1.00 0.00 C ATOM 387 O GLU A 26 -2.693 -7.355 1.548 1.00 0.00 O ATOM 388 CB GLU A 26 -1.834 -6.709 -1.682 1.00 0.00 C ATOM 389 CG GLU A 26 -1.281 -7.501 -2.909 1.00 0.00 C ATOM 390 CD GLU A 26 0.106 -7.107 -3.402 1.00 0.00 C ATOM 391 OE1 GLU A 26 0.869 -6.487 -2.633 1.00 0.00 O ATOM 392 OE2 GLU A 26 0.441 -7.412 -4.565 1.00 0.00 O ATOM 0 H GLU A 26 -4.198 -6.543 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.828 -8.364 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.131 -5.721 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.010 -6.564 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.264 -8.560 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.983 -7.385 -3.735 1.00 0.00 H new ATOM 399 N LEU A 27 -3.915 -5.641 0.756 1.00 0.00 N ATOM 400 CA LEU A 27 -3.774 -4.728 1.934 1.00 0.00 C ATOM 401 C LEU A 27 -4.169 -5.440 3.277 1.00 0.00 C ATOM 402 O LEU A 27 -3.328 -5.669 4.154 1.00 0.00 O ATOM 403 CB LEU A 27 -4.608 -3.430 1.680 1.00 0.00 C ATOM 404 CG LEU A 27 -4.684 -2.367 2.807 1.00 0.00 C ATOM 405 CD1 LEU A 27 -6.116 -2.278 3.361 1.00 0.00 C ATOM 406 CD2 LEU A 27 -3.717 -2.652 3.969 1.00 0.00 C ATOM 0 H LEU A 27 -4.625 -5.337 0.090 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.726 -4.450 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.203 -2.944 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.627 -3.733 1.440 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.389 -1.421 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.154 -1.528 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.799 -1.996 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.411 -3.246 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.817 -1.873 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.954 -3.620 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.693 -2.665 3.595 1.00 0.00 H new ATOM 418 N GLY A 28 -5.464 -5.761 3.453 1.00 0.00 N ATOM 419 CA GLY A 28 -5.960 -6.571 4.612 1.00 0.00 C ATOM 420 C GLY A 28 -4.998 -7.722 5.083 1.00 0.00 C ATOM 421 O GLY A 28 -4.630 -7.809 6.259 1.00 0.00 O ATOM 0 H GLY A 28 -6.201 -5.475 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.139 -5.901 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.921 -7.009 4.344 1.00 0.00 H new ATOM 425 N GLU A 29 -4.548 -8.575 4.146 1.00 0.00 N ATOM 426 CA GLU A 29 -3.773 -9.816 4.460 1.00 0.00 C ATOM 427 C GLU A 29 -2.274 -9.549 4.848 1.00 0.00 C ATOM 428 O GLU A 29 -1.622 -10.374 5.496 1.00 0.00 O ATOM 429 CB GLU A 29 -3.971 -10.856 3.309 1.00 0.00 C ATOM 430 CG GLU A 29 -5.397 -11.444 3.062 1.00 0.00 C ATOM 431 CD GLU A 29 -6.460 -11.103 4.100 1.00 0.00 C ATOM 432 OE1 GLU A 29 -7.041 -10.001 4.026 1.00 0.00 O ATOM 433 OE2 GLU A 29 -6.743 -11.946 4.976 1.00 0.00 O ATOM 0 H GLU A 29 -4.704 -8.435 3.148 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.177 -10.253 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.642 -10.388 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.298 -11.692 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.746 -11.097 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.313 -12.529 3.002 1.00 0.00 H new ATOM 440 N ILE A 30 -1.731 -8.381 4.458 1.00 0.00 N ATOM 441 CA ILE A 30 -0.559 -7.750 5.144 1.00 0.00 C ATOM 442 C ILE A 30 -0.894 -7.480 6.655 1.00 0.00 C ATOM 443 O ILE A 30 -0.380 -8.148 7.559 1.00 0.00 O ATOM 444 CB ILE A 30 -0.058 -6.453 4.383 1.00 0.00 C ATOM 445 CG1 ILE A 30 0.593 -6.719 2.988 1.00 0.00 C ATOM 446 CG2 ILE A 30 0.950 -5.624 5.232 1.00 0.00 C ATOM 447 CD1 ILE A 30 1.766 -7.719 2.971 1.00 0.00 C ATOM 0 H ILE A 30 -2.080 -7.842 3.666 1.00 0.00 H new ATOM 0 HA ILE A 30 0.277 -8.449 5.115 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.978 -5.892 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.180 -7.084 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.945 -5.769 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.264 -4.746 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.471 -5.308 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.821 -6.237 5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.139 -7.825 1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.566 -7.352 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.424 -8.688 3.335 1.00 0.00 H new ATOM 459 N LEU A 31 -1.793 -6.516 6.928 1.00 0.00 N ATOM 460 CA LEU A 31 -2.104 -6.054 8.317 1.00 0.00 C ATOM 461 C LEU A 31 -2.445 -7.266 9.261 1.00 0.00 C ATOM 462 O LEU A 31 -2.045 -7.299 10.430 1.00 0.00 O ATOM 463 CB LEU A 31 -3.240 -4.982 8.278 1.00 0.00 C ATOM 464 CG LEU A 31 -3.323 -4.048 7.040 1.00 0.00 C ATOM 465 CD1 LEU A 31 -4.276 -2.876 7.319 1.00 0.00 C ATOM 466 CD2 LEU A 31 -1.954 -3.489 6.617 1.00 0.00 C ATOM 0 H LEU A 31 -2.327 -6.031 6.207 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.219 -5.581 8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.193 -5.503 8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.136 -4.354 9.163 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.699 -4.660 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.324 -2.230 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.271 -3.261 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.910 -2.304 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.077 -2.844 5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.527 -2.913 7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.286 -4.313 6.366 1.00 0.00 H new ATOM 478 N ARG A 32 -3.139 -8.289 8.730 1.00 0.00 N ATOM 479 CA ARG A 32 -3.830 -9.330 9.555 1.00 0.00 C ATOM 480 C ARG A 32 -3.069 -10.703 9.474 1.00 0.00 C ATOM 481 O ARG A 32 -3.222 -11.573 10.338 1.00 0.00 O ATOM 482 CB ARG A 32 -5.297 -9.313 9.033 1.00 0.00 C ATOM 483 CG ARG A 32 -5.673 -10.477 8.091 1.00 0.00 C ATOM 484 CD ARG A 32 -6.496 -11.557 8.820 1.00 0.00 C ATOM 485 NE ARG A 32 -6.548 -12.771 7.958 1.00 0.00 N ATOM 486 CZ ARG A 32 -7.406 -13.777 8.087 1.00 0.00 C ATOM 487 NH1 ARG A 32 -8.340 -13.823 8.996 1.00 0.00 N ATOM 488 NH2 ARG A 32 -7.312 -14.770 7.262 1.00 0.00 N ATOM 0 H ARG A 32 -3.244 -8.428 7.725 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.834 -9.139 10.628 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.971 -9.328 9.890 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.468 -8.373 8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.245 -10.092 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.766 -10.924 7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.042 -11.794 9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.503 -11.193 9.024 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.865 -12.835 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.443 -13.056 9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.968 -14.625 9.042 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.593 -14.765 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.956 -15.557 7.336 1.00 0.00 H new ATOM 502 N ALA A 33 -2.296 -10.919 8.394 1.00 0.00 N ATOM 503 CA ALA A 33 -1.565 -12.203 8.149 1.00 0.00 C ATOM 504 C ALA A 33 -0.013 -12.054 7.961 1.00 0.00 C ATOM 505 O ALA A 33 0.527 -10.942 7.941 1.00 0.00 O ATOM 506 CB ALA A 33 -2.252 -12.839 6.922 1.00 0.00 C ATOM 0 H ALA A 33 -2.153 -10.222 7.664 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.630 -12.838 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.767 -13.786 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.304 -13.016 7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.170 -12.165 6.069 1.00 0.00 H new ATOM 512 N THR A 34 0.715 -13.183 7.890 1.00 0.00 N ATOM 513 CA THR A 34 2.212 -13.200 7.905 1.00 0.00 C ATOM 514 C THR A 34 2.757 -13.296 6.435 1.00 0.00 C ATOM 515 O THR A 34 3.783 -12.697 6.092 1.00 0.00 O ATOM 516 CB THR A 34 2.740 -14.351 8.825 1.00 0.00 C ATOM 517 OG1 THR A 34 1.884 -15.488 8.885 1.00 0.00 O ATOM 518 CG2 THR A 34 2.873 -13.874 10.280 1.00 0.00 C ATOM 0 H THR A 34 0.297 -14.111 7.821 1.00 0.00 H new ATOM 0 HA THR A 34 2.586 -12.269 8.330 1.00 0.00 H new ATOM 0 HB THR A 34 3.694 -14.628 8.376 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.279 -16.164 9.475 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.242 -14.692 10.899 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.573 -13.040 10.327 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.899 -13.551 10.648 1.00 0.00 H new ATOM 526 N GLY A 35 2.105 -14.104 5.581 1.00 0.00 N ATOM 527 CA GLY A 35 2.692 -14.619 4.305 1.00 0.00 C ATOM 528 C GLY A 35 1.687 -14.720 3.101 1.00 0.00 C ATOM 529 O GLY A 35 0.465 -14.708 3.283 1.00 0.00 O ATOM 0 H GLY A 35 1.152 -14.427 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.518 -13.969 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.113 -15.607 4.490 1.00 0.00 H new HETATM 533 N NH2 A 36 2.207 -14.820 1.864 1.00 0.00 N TER 536 NH2 A 36 HETATM 537 C ACE B 37 -10.485 -7.045 12.413 1.00 0.00 C HETATM 538 O ACE B 37 -9.408 -6.448 12.316 1.00 0.00 O HETATM 539 CH3 ACE B 37 -11.002 -7.565 13.805 1.00 0.00 C HETATM 0 H1 ACE B 37 -11.960 -7.098 14.035 1.00 0.00 H new HETATM 0 H2 ACE B 37 -11.126 -8.647 13.766 1.00 0.00 H new HETATM 0 H3 ACE B 37 -10.279 -7.310 14.580 1.00 0.00 H new ATOM 543 N VAL B 38 -11.228 -7.335 11.331 1.00 0.00 N ATOM 544 CA VAL B 38 -11.120 -6.611 10.026 1.00 0.00 C ATOM 545 C VAL B 38 -12.538 -6.584 9.351 1.00 0.00 C ATOM 546 O VAL B 38 -13.360 -7.485 9.549 1.00 0.00 O ATOM 547 CB VAL B 38 -9.996 -7.237 9.122 1.00 0.00 C ATOM 548 CG1 VAL B 38 -8.686 -6.409 9.106 1.00 0.00 C ATOM 549 CG2 VAL B 38 -9.594 -8.672 9.541 1.00 0.00 C ATOM 0 H VAL B 38 -11.926 -8.078 11.324 1.00 0.00 H new ATOM 0 HA VAL B 38 -10.809 -5.578 10.184 1.00 0.00 H new ATOM 0 HB VAL B 38 -10.457 -7.243 8.134 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -7.954 -6.898 8.463 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -8.892 -5.409 8.725 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -8.289 -6.337 10.118 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -8.815 -9.041 8.874 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -9.220 -8.661 10.565 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -10.464 -9.326 9.479 1.00 0.00 H new ATOM 559 N THR B 39 -12.821 -5.547 8.542 1.00 0.00 N ATOM 560 CA THR B 39 -14.053 -5.479 7.694 1.00 0.00 C ATOM 561 C THR B 39 -13.706 -4.829 6.306 1.00 0.00 C ATOM 562 O THR B 39 -12.604 -4.311 6.098 1.00 0.00 O ATOM 563 CB THR B 39 -15.197 -4.725 8.450 1.00 0.00 C ATOM 564 OG1 THR B 39 -15.112 -3.305 8.367 1.00 0.00 O ATOM 565 CG2 THR B 39 -15.163 -5.039 9.955 1.00 0.00 C ATOM 0 H THR B 39 -12.215 -4.732 8.449 1.00 0.00 H new ATOM 0 HA THR B 39 -14.423 -6.485 7.497 1.00 0.00 H new ATOM 0 HB THR B 39 -16.107 -5.073 7.961 1.00 0.00 H new ATOM 0 HG1 THR B 39 -15.858 -2.903 8.859 1.00 0.00 H new ATOM 0 HG21 THR B 39 -15.968 -4.502 10.457 1.00 0.00 H new ATOM 0 HG22 THR B 39 -15.292 -6.111 10.106 1.00 0.00 H new ATOM 0 HG23 THR B 39 -14.205 -4.727 10.370 1.00 0.00 H new ATOM 573 N GLU B 40 -14.645 -4.881 5.344 1.00 0.00 N ATOM 574 CA GLU B 40 -14.568 -4.087 4.077 1.00 0.00 C ATOM 575 C GLU B 40 -14.505 -2.534 4.304 1.00 0.00 C ATOM 576 O GLU B 40 -13.540 -1.864 3.918 1.00 0.00 O ATOM 577 CB GLU B 40 -15.700 -4.556 3.104 1.00 0.00 C ATOM 578 CG GLU B 40 -15.927 -6.088 2.898 1.00 0.00 C ATOM 579 CD GLU B 40 -15.479 -6.666 1.562 1.00 0.00 C ATOM 580 OE1 GLU B 40 -14.735 -5.983 0.830 1.00 0.00 O ATOM 581 OE2 GLU B 40 -15.846 -7.817 1.246 1.00 0.00 O ATOM 0 H GLU B 40 -15.478 -5.466 5.410 1.00 0.00 H new ATOM 0 HA GLU B 40 -13.611 -4.293 3.597 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -16.638 -4.128 3.458 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -15.498 -4.118 2.127 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -15.405 -6.621 3.693 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -16.990 -6.295 3.021 1.00 0.00 H new ATOM 588 N GLU B 41 -15.541 -1.957 4.941 1.00 0.00 N ATOM 589 CA GLU B 41 -15.739 -0.475 5.010 1.00 0.00 C ATOM 590 C GLU B 41 -14.632 0.277 5.832 1.00 0.00 C ATOM 591 O GLU B 41 -14.434 1.488 5.683 1.00 0.00 O ATOM 592 CB GLU B 41 -17.205 -0.170 5.464 1.00 0.00 C ATOM 593 CG GLU B 41 -18.260 0.226 4.383 1.00 0.00 C ATOM 594 CD GLU B 41 -19.491 0.976 4.879 1.00 0.00 C ATOM 595 OE1 GLU B 41 -19.429 2.216 5.004 1.00 0.00 O ATOM 596 OE2 GLU B 41 -20.532 0.335 5.126 1.00 0.00 O ATOM 0 H GLU B 41 -16.266 -2.489 5.423 1.00 0.00 H new ATOM 0 HA GLU B 41 -15.609 -0.063 4.009 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -17.580 -1.052 5.984 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -17.163 0.637 6.195 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -17.765 0.841 3.632 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -18.593 -0.683 3.882 1.00 0.00 H new ATOM 603 N ASP B 42 -13.864 -0.458 6.657 1.00 0.00 N ATOM 604 CA ASP B 42 -12.665 0.088 7.368 1.00 0.00 C ATOM 605 C ASP B 42 -11.366 0.044 6.487 1.00 0.00 C ATOM 606 O ASP B 42 -10.563 0.984 6.479 1.00 0.00 O ATOM 607 CB ASP B 42 -12.554 -0.658 8.732 1.00 0.00 C ATOM 608 CG ASP B 42 -13.459 -0.154 9.856 1.00 0.00 C ATOM 609 OD1 ASP B 42 -13.626 1.076 9.978 1.00 0.00 O ATOM 610 OD2 ASP B 42 -13.984 -0.973 10.642 1.00 0.00 O ATOM 0 H ASP B 42 -14.045 -1.442 6.857 1.00 0.00 H new ATOM 0 HA ASP B 42 -12.784 1.153 7.565 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -12.773 -1.713 8.564 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -11.520 -0.597 9.072 1.00 0.00 H new ATOM 615 N ILE B 43 -11.192 -1.027 5.691 1.00 0.00 N ATOM 616 CA ILE B 43 -10.172 -1.081 4.597 1.00 0.00 C ATOM 617 C ILE B 43 -10.497 -0.007 3.496 1.00 0.00 C ATOM 618 O ILE B 43 -9.603 0.668 2.975 1.00 0.00 O ATOM 619 CB ILE B 43 -10.016 -2.543 4.004 1.00 0.00 C ATOM 620 CG1 ILE B 43 -9.194 -3.529 4.894 1.00 0.00 C ATOM 621 CG2 ILE B 43 -9.381 -2.538 2.583 1.00 0.00 C ATOM 622 CD1 ILE B 43 -9.774 -3.821 6.292 1.00 0.00 C ATOM 0 H ILE B 43 -11.744 -1.880 5.777 1.00 0.00 H new ATOM 0 HA ILE B 43 -9.199 -0.831 5.020 1.00 0.00 H new ATOM 0 HB ILE B 43 -11.044 -2.905 3.966 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -9.095 -4.474 4.359 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -8.189 -3.125 5.016 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -9.295 -3.562 2.219 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -10.012 -1.964 1.905 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -8.391 -2.085 2.629 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -9.121 -4.517 6.819 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -9.846 -2.892 6.857 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -10.766 -4.261 6.190 1.00 0.00 H new ATOM 634 N GLU B 44 -11.781 0.122 3.116 1.00 0.00 N ATOM 635 CA GLU B 44 -12.246 1.135 2.117 1.00 0.00 C ATOM 636 C GLU B 44 -12.078 2.621 2.601 1.00 0.00 C ATOM 637 O GLU B 44 -11.660 3.502 1.843 1.00 0.00 O ATOM 638 CB GLU B 44 -13.688 0.767 1.638 1.00 0.00 C ATOM 639 CG GLU B 44 -14.837 1.804 1.850 1.00 0.00 C ATOM 640 CD GLU B 44 -15.246 2.622 0.631 1.00 0.00 C ATOM 641 OE1 GLU B 44 -14.858 2.261 -0.499 1.00 0.00 O ATOM 642 OE2 GLU B 44 -15.936 3.648 0.799 1.00 0.00 O ATOM 0 H GLU B 44 -12.531 -0.463 3.483 1.00 0.00 H new ATOM 0 HA GLU B 44 -11.590 1.092 1.248 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -13.636 0.545 0.572 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -13.978 -0.155 2.141 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -15.715 1.271 2.214 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -14.534 2.494 2.638 1.00 0.00 H new ATOM 649 N ASP B 45 -12.346 2.879 3.895 1.00 0.00 N ATOM 650 CA ASP B 45 -12.070 4.197 4.550 1.00 0.00 C ATOM 651 C ASP B 45 -10.534 4.512 4.652 1.00 0.00 C ATOM 652 O ASP B 45 -10.096 5.648 4.440 1.00 0.00 O ATOM 653 CB ASP B 45 -12.830 4.208 5.911 1.00 0.00 C ATOM 654 CG ASP B 45 -14.318 4.553 5.853 1.00 0.00 C ATOM 655 OD1 ASP B 45 -14.697 5.409 5.029 1.00 0.00 O ATOM 656 OD2 ASP B 45 -15.120 3.960 6.606 1.00 0.00 O ATOM 0 H ASP B 45 -12.759 2.190 4.524 1.00 0.00 H new ATOM 0 HA ASP B 45 -12.443 5.019 3.939 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -12.724 3.225 6.370 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -12.339 4.922 6.571 1.00 0.00 H new ATOM 661 N LEU B 46 -9.706 3.484 4.914 1.00 0.00 N ATOM 662 CA LEU B 46 -8.219 3.623 5.009 1.00 0.00 C ATOM 663 C LEU B 46 -7.536 4.033 3.657 1.00 0.00 C ATOM 664 O LEU B 46 -6.694 4.937 3.601 1.00 0.00 O ATOM 665 CB LEU B 46 -7.629 2.290 5.588 1.00 0.00 C ATOM 666 CG LEU B 46 -6.108 2.196 5.862 1.00 0.00 C ATOM 667 CD1 LEU B 46 -5.333 1.958 4.559 1.00 0.00 C ATOM 668 CD2 LEU B 46 -5.548 3.442 6.566 1.00 0.00 C ATOM 0 H LEU B 46 -10.036 2.531 5.067 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.998 4.450 5.684 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -8.145 2.082 6.525 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -7.888 1.488 4.897 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.974 1.348 6.534 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.267 1.895 4.776 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.666 1.026 4.103 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -5.515 2.784 3.871 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -4.478 3.317 6.731 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -5.719 4.320 5.943 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -6.050 3.575 7.525 1.00 0.00 H new ATOM 680 N MET B 47 -7.936 3.387 2.543 1.00 0.00 N ATOM 681 CA MET B 47 -7.380 3.675 1.183 1.00 0.00 C ATOM 682 C MET B 47 -7.856 5.068 0.634 1.00 0.00 C ATOM 683 O MET B 47 -7.064 5.850 0.097 1.00 0.00 O ATOM 684 CB MET B 47 -7.769 2.526 0.214 1.00 0.00 C ATOM 685 CG MET B 47 -7.001 1.208 0.424 1.00 0.00 C ATOM 686 SD MET B 47 -5.314 1.373 -0.178 1.00 0.00 S ATOM 687 CE MET B 47 -5.679 1.614 -1.922 1.00 0.00 C ATOM 0 H MET B 47 -8.647 2.655 2.548 1.00 0.00 H new ATOM 0 HA MET B 47 -6.294 3.729 1.260 1.00 0.00 H new ATOM 0 HB2 MET B 47 -8.836 2.328 0.319 1.00 0.00 H new ATOM 0 HB3 MET B 47 -7.607 2.864 -0.810 1.00 0.00 H new ATOM 0 HG2 MET B 47 -6.994 0.947 1.482 1.00 0.00 H new ATOM 0 HG3 MET B 47 -7.505 0.397 -0.101 1.00 0.00 H new ATOM 0 HE1 MET B 47 -4.987 1.025 -2.523 1.00 0.00 H new ATOM 0 HE2 MET B 47 -6.701 1.294 -2.127 1.00 0.00 H new ATOM 0 HE3 MET B 47 -5.571 2.669 -2.174 1.00 0.00 H new ATOM 697 N LYS B 48 -9.169 5.349 0.712 1.00 0.00 N ATOM 698 CA LYS B 48 -9.761 6.653 0.275 1.00 0.00 C ATOM 699 C LYS B 48 -9.153 7.838 1.111 1.00 0.00 C ATOM 700 O LYS B 48 -9.176 8.998 0.677 1.00 0.00 O ATOM 701 CB LYS B 48 -11.318 6.515 0.362 1.00 0.00 C ATOM 702 CG LYS B 48 -12.137 6.855 -0.919 1.00 0.00 C ATOM 703 CD LYS B 48 -13.548 6.207 -0.994 1.00 0.00 C ATOM 704 CE LYS B 48 -14.531 6.846 -2.001 1.00 0.00 C ATOM 705 NZ LYS B 48 -14.275 6.328 -3.376 1.00 0.00 N ATOM 0 H LYS B 48 -9.858 4.690 1.076 1.00 0.00 H new ATOM 0 HA LYS B 48 -9.511 6.895 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -11.550 5.489 0.649 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -11.669 7.159 1.168 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.248 7.937 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -11.564 6.541 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -13.430 5.154 -1.249 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -13.998 6.246 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -15.557 6.625 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -14.422 7.930 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -14.943 6.766 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -13.302 6.560 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -14.402 5.296 -3.387 1.00 0.00 H new ATOM 719 N ASP B 49 -8.666 7.568 2.340 1.00 0.00 N ATOM 720 CA ASP B 49 -7.836 8.555 3.108 1.00 0.00 C ATOM 721 C ASP B 49 -6.439 8.815 2.435 1.00 0.00 C ATOM 722 O ASP B 49 -6.083 9.953 2.109 1.00 0.00 O ATOM 723 CB ASP B 49 -7.763 8.078 4.590 1.00 0.00 C ATOM 724 CG ASP B 49 -7.304 9.116 5.614 1.00 0.00 C ATOM 725 OD1 ASP B 49 -8.115 9.992 5.976 1.00 0.00 O ATOM 726 OD2 ASP B 49 -6.149 9.051 6.086 1.00 0.00 O ATOM 0 H ASP B 49 -8.824 6.687 2.829 1.00 0.00 H new ATOM 0 HA ASP B 49 -8.307 9.538 3.094 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -8.750 7.721 4.884 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -7.087 7.224 4.642 1.00 0.00 H new ATOM 731 N SER B 50 -5.633 7.754 2.246 1.00 0.00 N ATOM 732 CA SER B 50 -4.196 7.879 1.845 1.00 0.00 C ATOM 733 C SER B 50 -4.014 8.474 0.402 1.00 0.00 C ATOM 734 O SER B 50 -3.025 9.154 0.109 1.00 0.00 O ATOM 735 CB SER B 50 -3.533 6.471 1.952 1.00 0.00 C ATOM 736 OG SER B 50 -4.256 5.471 1.221 1.00 0.00 O ATOM 0 H SER B 50 -5.944 6.789 2.362 1.00 0.00 H new ATOM 0 HA SER B 50 -3.710 8.584 2.520 1.00 0.00 H new ATOM 0 HB2 SER B 50 -2.511 6.524 1.577 1.00 0.00 H new ATOM 0 HB3 SER B 50 -3.473 6.179 3.000 1.00 0.00 H new ATOM 0 HG SER B 50 -3.804 4.606 1.315 1.00 0.00 H new ATOM 742 N ASP B 51 -4.977 8.218 -0.502 1.00 0.00 N ATOM 743 CA ASP B 51 -4.755 8.264 -1.982 1.00 0.00 C ATOM 744 C ASP B 51 -4.851 9.720 -2.564 1.00 0.00 C ATOM 745 O ASP B 51 -5.734 10.501 -2.194 1.00 0.00 O ATOM 746 CB ASP B 51 -5.733 7.237 -2.629 1.00 0.00 C ATOM 747 CG ASP B 51 -5.358 6.730 -4.022 1.00 0.00 C ATOM 748 OD1 ASP B 51 -4.646 7.454 -4.746 1.00 0.00 O ATOM 749 OD2 ASP B 51 -5.768 5.614 -4.405 1.00 0.00 O ATOM 0 H ASP B 51 -5.932 7.973 -0.241 1.00 0.00 H new ATOM 0 HA ASP B 51 -3.734 7.974 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -5.817 6.378 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -6.721 7.694 -2.686 1.00 0.00 H new ATOM 754 N LYS B 52 -3.898 10.106 -3.432 1.00 0.00 N ATOM 755 CA LYS B 52 -4.098 11.193 -4.442 1.00 0.00 C ATOM 756 C LYS B 52 -5.196 10.767 -5.483 1.00 0.00 C ATOM 757 O LYS B 52 -6.397 10.964 -5.266 1.00 0.00 O ATOM 758 CB LYS B 52 -2.699 11.528 -5.058 1.00 0.00 C ATOM 759 CG LYS B 52 -1.589 12.023 -4.084 1.00 0.00 C ATOM 760 CD LYS B 52 -2.099 12.565 -2.718 1.00 0.00 C ATOM 761 CE LYS B 52 -2.520 14.052 -2.699 1.00 0.00 C ATOM 762 NZ LYS B 52 -1.343 14.928 -2.964 1.00 0.00 N ATOM 0 H LYS B 52 -2.970 9.685 -3.464 1.00 0.00 H new ATOM 0 HA LYS B 52 -4.483 12.110 -3.996 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -2.331 10.635 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -2.841 12.291 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -0.900 11.200 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -1.019 12.809 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -2.951 11.962 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -1.315 12.419 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -3.289 14.228 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -2.956 14.301 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -1.568 15.905 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -0.528 14.590 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -1.111 14.901 -3.978 1.00 0.00 H new ATOM 776 N ASN B 53 -4.775 10.239 -6.647 1.00 0.00 N ATOM 777 CA ASN B 53 -5.573 10.289 -7.912 1.00 0.00 C ATOM 778 C ASN B 53 -6.882 9.423 -7.857 1.00 0.00 C ATOM 779 O ASN B 53 -7.708 9.453 -8.777 1.00 0.00 O ATOM 780 CB ASN B 53 -4.636 9.867 -9.087 1.00 0.00 C ATOM 781 CG ASN B 53 -4.207 8.397 -9.112 1.00 0.00 C ATOM 782 OD1 ASN B 53 -3.410 7.955 -8.293 1.00 0.00 O ATOM 783 ND2 ASN B 53 -4.736 7.603 -10.006 1.00 0.00 N ATOM 0 H ASN B 53 -3.878 9.765 -6.750 1.00 0.00 H new ATOM 0 HA ASN B 53 -5.930 11.307 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -5.141 10.093 -10.026 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -3.739 10.486 -9.050 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -4.485 6.614 -10.022 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -5.399 7.972 -10.687 1.00 0.00 H new ATOM 790 N ASN B 54 -7.071 8.644 -6.778 1.00 0.00 N ATOM 791 CA ASN B 54 -8.350 7.922 -6.490 1.00 0.00 C ATOM 792 C ASN B 54 -8.720 6.854 -7.581 1.00 0.00 C ATOM 793 O ASN B 54 -9.888 6.692 -7.950 1.00 0.00 O ATOM 794 CB ASN B 54 -9.473 8.991 -6.307 1.00 0.00 C ATOM 795 CG ASN B 54 -9.540 9.669 -4.936 1.00 0.00 C ATOM 796 OD1 ASN B 54 -9.564 10.890 -4.832 1.00 0.00 O ATOM 797 ND2 ASN B 54 -9.592 8.919 -3.866 1.00 0.00 N ATOM 0 H ASN B 54 -6.350 8.489 -6.074 1.00 0.00 H new ATOM 0 HA ASN B 54 -8.231 7.342 -5.575 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.339 9.763 -7.065 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.434 8.516 -6.502 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -9.653 9.350 -2.944 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -9.572 7.903 -3.954 1.00 0.00 H new ATOM 804 N ASP B 55 -7.714 6.137 -8.115 1.00 0.00 N ATOM 805 CA ASP B 55 -7.906 4.785 -8.731 1.00 0.00 C ATOM 806 C ASP B 55 -8.175 3.665 -7.663 1.00 0.00 C ATOM 807 O ASP B 55 -9.002 2.770 -7.866 1.00 0.00 O ATOM 808 CB ASP B 55 -6.682 4.521 -9.660 1.00 0.00 C ATOM 809 CG ASP B 55 -6.952 3.696 -10.918 1.00 0.00 C ATOM 810 OD1 ASP B 55 -8.099 3.680 -11.413 1.00 0.00 O ATOM 811 OD2 ASP B 55 -6.009 3.052 -11.420 1.00 0.00 O ATOM 0 H ASP B 55 -6.748 6.464 -8.138 1.00 0.00 H new ATOM 0 HA ASP B 55 -8.812 4.760 -9.336 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -6.269 5.483 -9.964 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -5.913 4.014 -9.077 1.00 0.00 H new ATOM 816 N GLY B 56 -7.468 3.715 -6.520 1.00 0.00 N ATOM 817 CA GLY B 56 -7.529 2.649 -5.468 1.00 0.00 C ATOM 818 C GLY B 56 -6.455 1.510 -5.609 1.00 0.00 C ATOM 819 O GLY B 56 -6.623 0.403 -5.085 1.00 0.00 O ATOM 0 H GLY B 56 -6.839 4.483 -6.287 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -7.413 3.118 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -8.520 2.197 -5.488 1.00 0.00 H new ATOM 823 N ARG B 57 -5.370 1.768 -6.361 1.00 0.00 N ATOM 824 CA ARG B 57 -4.173 0.872 -6.425 1.00 0.00 C ATOM 825 C ARG B 57 -2.804 1.630 -6.289 1.00 0.00 C ATOM 826 O ARG B 57 -2.600 2.697 -6.881 1.00 0.00 O ATOM 827 CB ARG B 57 -4.266 0.056 -7.747 1.00 0.00 C ATOM 828 CG ARG B 57 -5.544 -0.808 -7.865 1.00 0.00 C ATOM 829 CD ARG B 57 -5.845 -1.247 -9.306 1.00 0.00 C ATOM 830 NE ARG B 57 -7.275 -1.663 -9.345 1.00 0.00 N ATOM 831 CZ ARG B 57 -7.876 -2.404 -10.259 1.00 0.00 C ATOM 832 NH1 ARG B 57 -7.252 -2.963 -11.250 1.00 0.00 N ATOM 833 NH2 ARG B 57 -9.150 -2.585 -10.164 1.00 0.00 N ATOM 0 H ARG B 57 -5.286 2.600 -6.946 1.00 0.00 H new ATOM 0 HA ARG B 57 -4.187 0.205 -5.563 1.00 0.00 H new ATOM 0 HB2 ARG B 57 -4.227 0.745 -8.591 1.00 0.00 H new ATOM 0 HB3 ARG B 57 -3.393 -0.592 -7.824 1.00 0.00 H new ATOM 0 HG2 ARG B 57 -5.436 -1.693 -7.237 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -6.393 -0.244 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -5.662 -0.430 -10.004 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -5.196 -2.071 -9.602 1.00 0.00 H new ATOM 0 HE ARG B 57 -7.859 -1.337 -8.575 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -6.245 -2.840 -11.353 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -7.769 -3.525 -11.926 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -9.670 -2.160 -9.396 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -9.638 -3.153 -10.857 1.00 0.00 H new ATOM 847 N ILE B 58 -1.866 1.087 -5.493 1.00 0.00 N ATOM 848 CA ILE B 58 -0.783 1.876 -4.822 1.00 0.00 C ATOM 849 C ILE B 58 0.600 1.584 -5.502 1.00 0.00 C ATOM 850 O ILE B 58 1.147 0.479 -5.399 1.00 0.00 O ATOM 851 CB ILE B 58 -0.768 1.634 -3.255 1.00 0.00 C ATOM 852 CG1 ILE B 58 -2.006 2.228 -2.507 1.00 0.00 C ATOM 853 CG2 ILE B 58 0.521 2.185 -2.578 1.00 0.00 C ATOM 854 CD1 ILE B 58 -2.079 1.953 -0.993 1.00 0.00 C ATOM 0 H ILE B 58 -1.826 0.089 -5.288 1.00 0.00 H new ATOM 0 HA ILE B 58 -0.990 2.938 -4.953 1.00 0.00 H new ATOM 0 HB ILE B 58 -0.801 0.548 -3.163 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -2.014 3.307 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -2.910 1.833 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE B 58 0.479 1.993 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE B 58 1.395 1.690 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE B 58 0.593 3.259 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -2.978 2.413 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -2.110 0.877 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -1.201 2.374 -0.504 1.00 0.00 H new ATOM 866 N ASP B 59 1.192 2.589 -6.176 1.00 0.00 N ATOM 867 CA ASP B 59 2.586 2.507 -6.723 1.00 0.00 C ATOM 868 C ASP B 59 3.668 3.096 -5.748 1.00 0.00 C ATOM 869 O ASP B 59 3.351 3.843 -4.817 1.00 0.00 O ATOM 870 CB ASP B 59 2.565 3.161 -8.138 1.00 0.00 C ATOM 871 CG ASP B 59 2.306 4.666 -8.182 1.00 0.00 C ATOM 872 OD1 ASP B 59 2.824 5.385 -7.304 1.00 0.00 O ATOM 873 OD2 ASP B 59 1.571 5.142 -9.075 1.00 0.00 O ATOM 0 H ASP B 59 0.732 3.480 -6.363 1.00 0.00 H new ATOM 0 HA ASP B 59 2.898 1.467 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP B 59 3.522 2.964 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP B 59 1.799 2.664 -8.734 1.00 0.00 H new ATOM 878 N PHE B 60 4.955 2.772 -5.976 1.00 0.00 N ATOM 879 CA PHE B 60 6.040 2.880 -4.950 1.00 0.00 C ATOM 880 C PHE B 60 6.080 4.301 -4.282 1.00 0.00 C ATOM 881 O PHE B 60 6.351 4.442 -3.084 1.00 0.00 O ATOM 882 CB PHE B 60 7.412 2.513 -5.605 1.00 0.00 C ATOM 883 CG PHE B 60 8.632 2.305 -4.676 1.00 0.00 C ATOM 884 CD1 PHE B 60 9.415 3.401 -4.300 1.00 0.00 C ATOM 885 CD2 PHE B 60 8.964 1.033 -4.189 1.00 0.00 C ATOM 886 CE1 PHE B 60 10.498 3.235 -3.439 1.00 0.00 C ATOM 887 CE2 PHE B 60 10.054 0.867 -3.335 1.00 0.00 C ATOM 888 CZ PHE B 60 10.853 1.960 -3.008 1.00 0.00 C ATOM 0 H PHE B 60 5.285 2.425 -6.877 1.00 0.00 H new ATOM 0 HA PHE B 60 5.830 2.173 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE B 60 7.272 1.598 -6.181 1.00 0.00 H new ATOM 0 HB3 PHE B 60 7.664 3.301 -6.314 1.00 0.00 H new ATOM 0 HD1 PHE B 60 9.178 4.384 -4.680 1.00 0.00 H new ATOM 0 HD2 PHE B 60 8.372 0.177 -4.477 1.00 0.00 H new ATOM 0 HE1 PHE B 60 11.061 4.094 -3.107 1.00 0.00 H new ATOM 0 HE2 PHE B 60 10.278 -0.108 -2.928 1.00 0.00 H new ATOM 0 HZ PHE B 60 11.748 1.818 -2.420 1.00 0.00 H new ATOM 898 N ASP B 61 5.727 5.358 -5.033 1.00 0.00 N ATOM 899 CA ASP B 61 5.475 6.721 -4.476 1.00 0.00 C ATOM 900 C ASP B 61 4.484 6.666 -3.245 1.00 0.00 C ATOM 901 O ASP B 61 4.834 6.667 -2.065 1.00 0.00 O ATOM 902 CB ASP B 61 4.884 7.600 -5.627 1.00 0.00 C ATOM 903 CG ASP B 61 3.951 8.761 -5.225 1.00 0.00 C ATOM 904 OD1 ASP B 61 4.139 9.344 -4.137 1.00 0.00 O ATOM 905 OD2 ASP B 61 3.055 9.096 -6.024 1.00 0.00 O ATOM 0 H ASP B 61 5.605 5.304 -6.044 1.00 0.00 H new ATOM 0 HA ASP B 61 6.407 7.150 -4.108 1.00 0.00 H new ATOM 0 HB2 ASP B 61 5.716 8.017 -6.194 1.00 0.00 H new ATOM 0 HB3 ASP B 61 4.335 6.945 -6.303 1.00 0.00 H new ATOM 910 N GLU B 62 3.160 6.664 -3.594 1.00 0.00 N ATOM 911 CA GLU B 62 2.027 6.365 -2.670 1.00 0.00 C ATOM 912 C GLU B 62 2.302 5.219 -1.631 1.00 0.00 C ATOM 913 O GLU B 62 1.523 5.076 -0.659 1.00 0.00 O ATOM 914 CB GLU B 62 0.713 6.169 -3.503 1.00 0.00 C ATOM 915 CG GLU B 62 0.699 5.161 -4.697 1.00 0.00 C ATOM 916 CD GLU B 62 -0.477 5.279 -5.660 1.00 0.00 C ATOM 917 OE1 GLU B 62 -1.635 5.177 -5.209 1.00 0.00 O ATOM 918 OE2 GLU B 62 -0.251 5.481 -6.871 1.00 0.00 O ATOM 0 H GLU B 62 2.849 6.874 -4.543 1.00 0.00 H new ATOM 0 HA GLU B 62 1.899 7.232 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -0.070 5.864 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU B 62 0.428 7.145 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU B 62 1.621 5.288 -5.264 1.00 0.00 H new ATOM 0 HG3 GLU B 62 0.711 4.149 -4.292 1.00 0.00 H new ATOM 925 N PHE B 63 3.317 4.355 -1.805 1.00 0.00 N ATOM 926 CA PHE B 63 3.853 3.512 -0.682 1.00 0.00 C ATOM 927 C PHE B 63 4.549 4.380 0.427 1.00 0.00 C ATOM 928 O PHE B 63 4.196 4.315 1.610 1.00 0.00 O ATOM 929 CB PHE B 63 4.826 2.433 -1.256 1.00 0.00 C ATOM 930 CG PHE B 63 5.208 1.241 -0.348 1.00 0.00 C ATOM 931 CD1 PHE B 63 4.213 0.385 0.133 1.00 0.00 C ATOM 932 CD2 PHE B 63 6.541 1.005 0.016 1.00 0.00 C ATOM 933 CE1 PHE B 63 4.526 -0.620 1.047 1.00 0.00 C ATOM 934 CE2 PHE B 63 6.853 0.005 0.937 1.00 0.00 C ATOM 935 CZ PHE B 63 5.837 -0.771 1.489 1.00 0.00 C ATOM 0 H PHE B 63 3.790 4.211 -2.697 1.00 0.00 H new ATOM 0 HA PHE B 63 3.014 3.012 -0.199 1.00 0.00 H new ATOM 0 HB2 PHE B 63 4.379 2.030 -2.165 1.00 0.00 H new ATOM 0 HB3 PHE B 63 5.747 2.937 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE B 63 3.194 0.503 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE B 63 7.330 1.600 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE B 63 3.753 -1.280 1.411 1.00 0.00 H new ATOM 0 HE2 PHE B 63 7.881 -0.167 1.221 1.00 0.00 H new ATOM 0 HZ PHE B 63 6.067 -1.491 2.261 1.00 0.00 H new ATOM 945 N LEU B 64 5.587 5.145 0.046 1.00 0.00 N ATOM 946 CA LEU B 64 6.360 6.044 0.959 1.00 0.00 C ATOM 947 C LEU B 64 5.418 6.989 1.787 1.00 0.00 C ATOM 948 O LEU B 64 5.723 7.354 2.929 1.00 0.00 O ATOM 949 CB LEU B 64 7.419 6.836 0.126 1.00 0.00 C ATOM 950 CG LEU B 64 8.692 6.071 -0.327 1.00 0.00 C ATOM 951 CD1 LEU B 64 9.315 6.751 -1.556 1.00 0.00 C ATOM 952 CD2 LEU B 64 9.755 5.965 0.779 1.00 0.00 C ATOM 0 H LEU B 64 5.927 5.166 -0.915 1.00 0.00 H new ATOM 0 HA LEU B 64 6.885 5.436 1.696 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.925 7.224 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU B 64 7.735 7.697 0.715 1.00 0.00 H new ATOM 0 HG LEU B 64 8.369 5.060 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU B 64 10.206 6.203 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.594 6.756 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.587 7.776 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.620 5.420 0.401 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.062 6.965 1.086 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.338 5.435 1.635 1.00 0.00 H new ATOM 964 N LYS B 65 4.239 7.333 1.239 1.00 0.00 N ATOM 965 CA LYS B 65 3.218 8.170 1.946 1.00 0.00 C ATOM 966 C LYS B 65 2.165 7.237 2.647 1.00 0.00 C ATOM 967 O LYS B 65 1.457 7.653 3.571 1.00 0.00 O ATOM 968 CB LYS B 65 2.693 9.122 0.824 1.00 0.00 C ATOM 969 CG LYS B 65 3.583 10.309 0.377 1.00 0.00 C ATOM 970 CD LYS B 65 2.690 11.512 -0.022 1.00 0.00 C ATOM 971 CE LYS B 65 2.840 12.038 -1.459 1.00 0.00 C ATOM 972 NZ LYS B 65 2.811 13.537 -1.420 1.00 0.00 N ATOM 0 H LYS B 65 3.956 7.048 0.301 1.00 0.00 H new ATOM 0 HA LYS B 65 3.580 8.776 2.777 1.00 0.00 H new ATOM 0 HB2 LYS B 65 2.488 8.513 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.740 9.531 1.158 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.256 10.596 1.185 1.00 0.00 H new ATOM 0 HG3 LYS B 65 4.206 10.011 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS B 65 1.649 11.227 0.129 1.00 0.00 H new ATOM 0 HD3 LYS B 65 2.899 12.333 0.664 1.00 0.00 H new ATOM 0 HE2 LYS B 65 3.776 11.688 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS B 65 2.034 11.659 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 2.911 13.911 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 1.907 13.856 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 3.595 13.884 -0.831 1.00 0.00 H new ATOM 986 N MET B 66 2.034 5.981 2.181 1.00 0.00 N ATOM 987 CA MET B 66 1.204 4.937 2.863 1.00 0.00 C ATOM 988 C MET B 66 1.835 4.367 4.183 1.00 0.00 C ATOM 989 O MET B 66 1.165 3.696 4.977 1.00 0.00 O ATOM 990 CB MET B 66 0.933 3.794 1.838 1.00 0.00 C ATOM 991 CG MET B 66 0.439 2.456 2.434 1.00 0.00 C ATOM 992 SD MET B 66 0.426 1.177 1.168 1.00 0.00 S ATOM 993 CE MET B 66 1.680 0.095 1.872 1.00 0.00 C ATOM 0 H MET B 66 2.490 5.651 1.331 1.00 0.00 H new ATOM 0 HA MET B 66 0.277 5.410 3.186 1.00 0.00 H new ATOM 0 HB2 MET B 66 0.192 4.145 1.119 1.00 0.00 H new ATOM 0 HB3 MET B 66 1.852 3.605 1.283 1.00 0.00 H new ATOM 0 HG2 MET B 66 1.087 2.156 3.258 1.00 0.00 H new ATOM 0 HG3 MET B 66 -0.563 2.581 2.845 1.00 0.00 H new ATOM 0 HE1 MET B 66 1.948 -0.672 1.146 1.00 0.00 H new ATOM 0 HE2 MET B 66 2.564 0.680 2.125 1.00 0.00 H new ATOM 0 HE3 MET B 66 1.288 -0.378 2.772 1.00 0.00 H new ATOM 1003 N MET B 67 3.123 4.661 4.433 1.00 0.00 N ATOM 1004 CA MET B 67 3.856 4.199 5.654 1.00 0.00 C ATOM 1005 C MET B 67 4.242 5.422 6.561 1.00 0.00 C ATOM 1006 O MET B 67 4.095 5.383 7.787 1.00 0.00 O ATOM 1007 CB MET B 67 5.131 3.407 5.245 1.00 0.00 C ATOM 1008 CG MET B 67 6.268 3.391 6.288 1.00 0.00 C ATOM 1009 SD MET B 67 6.984 1.741 6.377 1.00 0.00 S ATOM 1010 CE MET B 67 7.371 1.492 4.636 1.00 0.00 C ATOM 0 H MET B 67 3.696 5.224 3.804 1.00 0.00 H new ATOM 0 HA MET B 67 3.201 3.541 6.224 1.00 0.00 H new ATOM 0 HB2 MET B 67 4.844 2.378 5.030 1.00 0.00 H new ATOM 0 HB3 MET B 67 5.518 3.830 4.318 1.00 0.00 H new ATOM 0 HG2 MET B 67 7.035 4.117 6.016 1.00 0.00 H new ATOM 0 HG3 MET B 67 5.883 3.684 7.265 1.00 0.00 H new ATOM 0 HE1 MET B 67 6.753 0.687 4.237 1.00 0.00 H new ATOM 0 HE2 MET B 67 7.171 2.410 4.084 1.00 0.00 H new ATOM 0 HE3 MET B 67 8.423 1.227 4.531 1.00 0.00 H new ATOM 1020 N GLU B 68 4.676 6.538 5.946 1.00 0.00 N ATOM 1021 CA GLU B 68 4.994 7.810 6.667 1.00 0.00 C ATOM 1022 C GLU B 68 4.440 9.098 5.958 1.00 0.00 C ATOM 1023 O GLU B 68 5.124 10.123 5.865 1.00 0.00 O ATOM 1024 CB GLU B 68 6.524 7.852 6.990 1.00 0.00 C ATOM 1025 CG GLU B 68 6.994 8.515 8.323 1.00 0.00 C ATOM 1026 CD GLU B 68 5.995 8.507 9.474 1.00 0.00 C ATOM 1027 OE1 GLU B 68 5.141 9.415 9.536 1.00 0.00 O ATOM 1028 OE2 GLU B 68 6.056 7.594 10.323 1.00 0.00 O ATOM 0 H GLU B 68 4.820 6.596 4.938 1.00 0.00 H new ATOM 0 HA GLU B 68 4.455 7.815 7.615 1.00 0.00 H new ATOM 0 HB2 GLU B 68 6.891 6.825 6.985 1.00 0.00 H new ATOM 0 HB3 GLU B 68 7.020 8.372 6.170 1.00 0.00 H new ATOM 0 HG2 GLU B 68 7.901 8.009 8.655 1.00 0.00 H new ATOM 0 HG3 GLU B 68 7.265 9.550 8.113 1.00 0.00 H new ATOM 1035 N GLY B 69 3.220 9.020 5.397 1.00 0.00 N ATOM 1036 CA GLY B 69 2.384 10.220 5.071 1.00 0.00 C ATOM 1037 C GLY B 69 2.689 11.500 5.931 1.00 0.00 C ATOM 1038 O GLY B 69 2.332 11.580 7.111 1.00 0.00 O ATOM 0 H GLY B 69 2.776 8.135 5.153 1.00 0.00 H new ATOM 0 HA2 GLY B 69 2.525 10.466 4.019 1.00 0.00 H new ATOM 0 HA3 GLY B 69 1.334 9.957 5.199 1.00 0.00 H new ATOM 1042 N VAL B 70 3.317 12.521 5.320 1.00 0.00 N ATOM 1043 CA VAL B 70 3.308 13.924 5.842 1.00 0.00 C ATOM 1044 C VAL B 70 2.071 14.675 5.232 1.00 0.00 C ATOM 1045 O VAL B 70 1.958 14.843 4.013 1.00 0.00 O ATOM 1046 CB VAL B 70 4.683 14.638 5.571 1.00 0.00 C ATOM 1047 CG1 VAL B 70 4.718 16.111 6.052 1.00 0.00 C ATOM 1048 CG2 VAL B 70 5.888 13.935 6.244 1.00 0.00 C ATOM 0 H VAL B 70 3.846 12.411 4.455 1.00 0.00 H new ATOM 0 HA VAL B 70 3.198 13.930 6.926 1.00 0.00 H new ATOM 0 HB VAL B 70 4.770 14.588 4.486 1.00 0.00 H new ATOM 0 HG11 VAL B 70 5.695 16.542 5.834 1.00 0.00 H new ATOM 0 HG12 VAL B 70 3.946 16.681 5.535 1.00 0.00 H new ATOM 0 HG13 VAL B 70 4.537 16.147 7.126 1.00 0.00 H new ATOM 0 HG21 VAL B 70 6.803 14.482 6.015 1.00 0.00 H new ATOM 0 HG22 VAL B 70 5.740 13.913 7.324 1.00 0.00 H new ATOM 0 HG23 VAL B 70 5.971 12.915 5.868 1.00 0.00 H new ATOM 1058 N GLN B 71 1.111 15.082 6.083 1.00 0.00 N ATOM 1059 CA GLN B 71 -0.024 15.970 5.676 1.00 0.00 C ATOM 1060 C GLN B 71 0.441 17.103 4.692 1.00 0.00 C ATOM 1061 O GLN B 71 1.543 17.649 4.815 1.00 0.00 O ATOM 1062 CB GLN B 71 -0.712 16.478 6.974 1.00 0.00 C ATOM 1063 CG GLN B 71 -1.887 15.582 7.465 1.00 0.00 C ATOM 1064 CD GLN B 71 -2.444 15.894 8.856 1.00 0.00 C ATOM 1065 OE1 GLN B 71 -2.483 17.030 9.309 1.00 0.00 O ATOM 1066 NE2 GLN B 71 -2.894 14.901 9.580 1.00 0.00 N ATOM 0 H GLN B 71 1.088 14.814 7.067 1.00 0.00 H new ATOM 0 HA GLN B 71 -0.764 15.420 5.095 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.035 16.545 7.765 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -1.086 17.487 6.803 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -2.701 15.661 6.745 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -1.553 14.544 7.455 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -2.867 13.949 9.214 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -3.272 15.079 10.511 1.00 0.00 H new HETATM 1075 N NH2 B 72 -0.378 17.412 3.670 1.00 0.00 N TER 1078 NH2 B 72