USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=8 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 -52:sc= 0.241 USER MOD Single : A 9 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.48) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) 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 -175:sc= -1.69 (180deg=-1.76) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.579 K(o=-0.58,f=-4.7!) USER MOD Single : B 54 ASN : amide:sc= -2.28 K(o=-2.3,f=-0.5) USER MOD Single : B 65 LYS NZ :NH3+ -166:sc= -0.421 (180deg=-1.09) USER MOD Single : B 66 MET CE :methyl 176:sc= -2.95 (180deg=-3.08) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 71 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 19.610 11.322 -1.494 1.00 0.00 C HETATM 2 O ACE A 1 18.748 12.032 -2.023 1.00 0.00 O HETATM 3 CH3 ACE A 1 20.500 11.865 -0.317 1.00 0.00 C HETATM 0 H1 ACE A 1 20.348 11.248 0.569 1.00 0.00 H new HETATM 0 H2 ACE A 1 21.550 11.830 -0.608 1.00 0.00 H new HETATM 0 H3 ACE A 1 20.220 12.895 -0.094 1.00 0.00 H new ATOM 7 N LYS A 2 19.780 10.037 -1.855 1.00 0.00 N ATOM 8 CA LYS A 2 18.802 9.286 -2.707 1.00 0.00 C ATOM 9 C LYS A 2 18.695 7.797 -2.216 1.00 0.00 C ATOM 10 O LYS A 2 19.491 6.936 -2.606 1.00 0.00 O ATOM 11 CB LYS A 2 19.184 9.405 -4.217 1.00 0.00 C ATOM 12 CG LYS A 2 18.593 10.621 -4.991 1.00 0.00 C ATOM 13 CD LYS A 2 19.370 11.011 -6.268 1.00 0.00 C ATOM 14 CE LYS A 2 20.687 11.729 -5.921 1.00 0.00 C ATOM 15 NZ LYS A 2 21.420 12.044 -7.178 1.00 0.00 N ATOM 0 H LYS A 2 20.588 9.482 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 2 17.811 9.729 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.271 9.449 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.867 8.493 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.562 10.395 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.564 11.481 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.584 10.117 -6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.752 11.659 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.481 12.645 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.300 11.098 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.311 12.529 -6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.628 11.162 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.834 12.661 -7.776 1.00 0.00 H new ATOM 29 N SER A 3 17.716 7.499 -1.345 1.00 0.00 N ATOM 30 CA SER A 3 17.701 6.267 -0.496 1.00 0.00 C ATOM 31 C SER A 3 16.242 5.782 -0.169 1.00 0.00 C ATOM 32 O SER A 3 15.800 5.811 0.984 1.00 0.00 O ATOM 33 CB SER A 3 18.574 6.576 0.744 1.00 0.00 C ATOM 34 OG SER A 3 18.497 5.553 1.743 1.00 0.00 O ATOM 0 H SER A 3 16.904 8.099 -1.200 1.00 0.00 H new ATOM 0 HA SER A 3 18.124 5.413 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.611 6.696 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.260 7.526 1.177 1.00 0.00 H new ATOM 0 HG SER A 3 17.557 5.372 1.954 1.00 0.00 H new ATOM 40 N GLU A 4 15.472 5.397 -1.202 1.00 0.00 N ATOM 41 CA GLU A 4 14.245 4.554 -1.045 1.00 0.00 C ATOM 42 C GLU A 4 14.586 3.019 -1.067 1.00 0.00 C ATOM 43 O GLU A 4 13.893 2.208 -1.692 1.00 0.00 O ATOM 44 CB GLU A 4 13.085 5.014 -1.976 1.00 0.00 C ATOM 45 CG GLU A 4 12.415 6.409 -1.793 1.00 0.00 C ATOM 46 CD GLU A 4 13.280 7.372 -1.004 1.00 0.00 C ATOM 47 OE1 GLU A 4 13.191 7.368 0.242 1.00 0.00 O ATOM 48 OE2 GLU A 4 13.907 8.276 -1.591 1.00 0.00 O ATOM 0 H GLU A 4 15.670 5.653 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 4 13.839 4.718 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.460 4.972 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.295 4.267 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.202 6.837 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.459 6.285 -1.284 1.00 0.00 H new ATOM 55 N GLU A 5 15.629 2.611 -0.321 1.00 0.00 N ATOM 56 CA GLU A 5 16.189 1.224 -0.384 1.00 0.00 C ATOM 57 C GLU A 5 15.284 0.141 0.306 1.00 0.00 C ATOM 58 O GLU A 5 14.876 -0.847 -0.316 1.00 0.00 O ATOM 59 CB GLU A 5 17.673 1.243 0.113 1.00 0.00 C ATOM 60 CG GLU A 5 18.691 0.239 -0.514 1.00 0.00 C ATOM 61 CD GLU A 5 19.082 0.484 -1.966 1.00 0.00 C ATOM 62 OE1 GLU A 5 18.185 0.690 -2.809 1.00 0.00 O ATOM 63 OE2 GLU A 5 20.288 0.430 -2.282 1.00 0.00 O ATOM 0 H GLU A 5 16.113 3.218 0.341 1.00 0.00 H new ATOM 0 HA GLU A 5 16.192 0.899 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.061 2.249 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.662 1.073 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 5 19.598 0.251 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.271 -0.764 -0.438 1.00 0.00 H new ATOM 70 N GLU A 6 15.015 0.299 1.615 1.00 0.00 N ATOM 71 CA GLU A 6 14.059 -0.571 2.369 1.00 0.00 C ATOM 72 C GLU A 6 12.582 -0.502 1.838 1.00 0.00 C ATOM 73 O GLU A 6 11.774 -1.408 2.071 1.00 0.00 O ATOM 74 CB GLU A 6 14.212 -0.299 3.902 1.00 0.00 C ATOM 75 CG GLU A 6 14.255 1.180 4.402 1.00 0.00 C ATOM 76 CD GLU A 6 14.059 1.396 5.898 1.00 0.00 C ATOM 77 OE1 GLU A 6 13.305 0.622 6.523 1.00 0.00 O ATOM 78 OE2 GLU A 6 14.685 2.314 6.465 1.00 0.00 O ATOM 0 H GLU A 6 15.445 1.025 2.188 1.00 0.00 H new ATOM 0 HA GLU A 6 14.324 -1.613 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.385 -0.795 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.129 -0.787 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.216 1.609 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.486 1.742 3.872 1.00 0.00 H new ATOM 85 N LEU A 7 12.249 0.547 1.065 1.00 0.00 N ATOM 86 CA LEU A 7 10.979 0.635 0.279 1.00 0.00 C ATOM 87 C LEU A 7 11.091 -0.123 -1.093 1.00 0.00 C ATOM 88 O LEU A 7 10.097 -0.614 -1.639 1.00 0.00 O ATOM 89 CB LEU A 7 10.582 2.133 0.095 1.00 0.00 C ATOM 90 CG LEU A 7 10.186 2.942 1.359 1.00 0.00 C ATOM 91 CD1 LEU A 7 8.666 3.170 1.393 1.00 0.00 C ATOM 92 CD2 LEU A 7 10.619 2.261 2.669 1.00 0.00 C ATOM 0 H LEU A 7 12.847 1.367 0.959 1.00 0.00 H new ATOM 0 HA LEU A 7 10.185 0.136 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.419 2.644 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.746 2.174 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 7 10.713 3.893 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.403 3.739 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.361 3.725 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.154 2.208 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.314 2.875 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.148 1.281 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.703 2.144 2.677 1.00 0.00 H new ATOM 104 N ALA A 8 12.312 -0.216 -1.650 1.00 0.00 N ATOM 105 CA ALA A 8 12.619 -1.100 -2.819 1.00 0.00 C ATOM 106 C ALA A 8 12.475 -2.639 -2.535 1.00 0.00 C ATOM 107 O ALA A 8 11.568 -3.303 -3.048 1.00 0.00 O ATOM 108 CB ALA A 8 14.043 -0.709 -3.266 1.00 0.00 C ATOM 0 H ALA A 8 13.118 0.311 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 8 11.884 -0.941 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.336 -1.318 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 8 14.060 0.344 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.741 -0.877 -2.446 1.00 0.00 H new ATOM 114 N ASN A 9 13.346 -3.194 -1.675 1.00 0.00 N ATOM 115 CA ASN A 9 13.123 -4.506 -0.991 1.00 0.00 C ATOM 116 C ASN A 9 11.611 -4.789 -0.671 1.00 0.00 C ATOM 117 O ASN A 9 11.050 -5.812 -1.078 1.00 0.00 O ATOM 118 CB ASN A 9 14.013 -4.538 0.291 1.00 0.00 C ATOM 119 CG ASN A 9 15.526 -4.510 0.061 1.00 0.00 C ATOM 120 OD1 ASN A 9 15.997 -4.531 -1.070 1.00 0.00 O ATOM 121 ND2 ASN A 9 16.319 -4.485 1.101 1.00 0.00 N ATOM 0 H ASN A 9 14.232 -2.754 -1.425 1.00 0.00 H new ATOM 0 HA ASN A 9 13.412 -5.311 -1.667 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.745 -3.686 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.768 -5.437 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.331 -4.483 0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.926 -4.468 2.042 1.00 0.00 H new ATOM 128 N ALA A 10 10.944 -3.866 0.044 1.00 0.00 N ATOM 129 CA ALA A 10 9.552 -4.051 0.558 1.00 0.00 C ATOM 130 C ALA A 10 8.431 -3.998 -0.543 1.00 0.00 C ATOM 131 O ALA A 10 7.383 -4.641 -0.419 1.00 0.00 O ATOM 132 CB ALA A 10 9.369 -2.971 1.646 1.00 0.00 C ATOM 0 H ALA A 10 11.347 -2.962 0.289 1.00 0.00 H new ATOM 0 HA ALA A 10 9.435 -5.059 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.367 -3.047 2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.108 -3.119 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.503 -1.983 1.204 1.00 0.00 H new ATOM 138 N PHE A 11 8.643 -3.208 -1.610 1.00 0.00 N ATOM 139 CA PHE A 11 7.695 -3.099 -2.763 1.00 0.00 C ATOM 140 C PHE A 11 7.779 -4.343 -3.718 1.00 0.00 C ATOM 141 O PHE A 11 6.787 -4.751 -4.330 1.00 0.00 O ATOM 142 CB PHE A 11 7.973 -1.759 -3.524 1.00 0.00 C ATOM 143 CG PHE A 11 7.103 -1.425 -4.756 1.00 0.00 C ATOM 144 CD1 PHE A 11 7.438 -1.896 -6.032 1.00 0.00 C ATOM 145 CD2 PHE A 11 5.967 -0.623 -4.603 1.00 0.00 C ATOM 146 CE1 PHE A 11 6.666 -1.543 -7.139 1.00 0.00 C ATOM 147 CE2 PHE A 11 5.182 -0.293 -5.705 1.00 0.00 C ATOM 148 CZ PHE A 11 5.549 -0.726 -6.978 1.00 0.00 C ATOM 0 H PHE A 11 9.472 -2.622 -1.710 1.00 0.00 H new ATOM 0 HA PHE A 11 6.674 -3.088 -2.381 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.866 -0.942 -2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.015 -1.768 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.299 -2.536 -6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.697 -0.257 -3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.934 -1.903 -8.121 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.288 0.299 -5.573 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.968 -0.429 -7.839 1.00 0.00 H new ATOM 158 N ARG A 12 8.966 -4.970 -3.815 1.00 0.00 N ATOM 159 CA ARG A 12 9.142 -6.313 -4.451 1.00 0.00 C ATOM 160 C ARG A 12 8.636 -7.492 -3.544 1.00 0.00 C ATOM 161 O ARG A 12 8.258 -8.561 -4.035 1.00 0.00 O ATOM 162 CB ARG A 12 10.628 -6.491 -4.888 1.00 0.00 C ATOM 163 CG ARG A 12 11.571 -7.008 -3.771 1.00 0.00 C ATOM 164 CD ARG A 12 12.562 -8.073 -4.267 1.00 0.00 C ATOM 165 NE ARG A 12 13.635 -7.377 -5.031 1.00 0.00 N ATOM 166 CZ ARG A 12 14.163 -7.791 -6.174 1.00 0.00 C ATOM 167 NH1 ARG A 12 13.789 -8.879 -6.790 1.00 0.00 N ATOM 168 NH2 ARG A 12 15.101 -7.076 -6.706 1.00 0.00 N ATOM 0 H ARG A 12 9.835 -4.571 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 12 8.511 -6.354 -5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.666 -7.185 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.004 -5.534 -5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.127 -6.168 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.972 -7.426 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.986 -8.621 -3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.055 -8.802 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 12 13.995 -6.506 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.052 -9.462 -6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.233 -9.146 -7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.414 -6.221 -6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.528 -7.367 -7.585 1.00 0.00 H new ATOM 182 N ILE A 13 8.633 -7.295 -2.215 1.00 0.00 N ATOM 183 CA ILE A 13 8.123 -8.284 -1.214 1.00 0.00 C ATOM 184 C ILE A 13 6.551 -8.321 -1.239 1.00 0.00 C ATOM 185 O ILE A 13 5.928 -9.370 -1.044 1.00 0.00 O ATOM 186 CB ILE A 13 8.712 -8.006 0.230 1.00 0.00 C ATOM 187 CG1 ILE A 13 10.202 -8.435 0.426 1.00 0.00 C ATOM 188 CG2 ILE A 13 7.868 -8.679 1.351 1.00 0.00 C ATOM 189 CD1 ILE A 13 10.445 -9.937 0.672 1.00 0.00 C ATOM 0 H ILE A 13 8.986 -6.439 -1.787 1.00 0.00 H new ATOM 0 HA ILE A 13 8.474 -9.278 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 13 8.664 -6.920 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.765 -8.136 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.612 -7.878 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.312 -8.459 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.849 -8.292 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.851 -9.758 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.513 -10.118 0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.919 -10.247 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.075 -10.510 -0.178 1.00 0.00 H new ATOM 201 N PHE A 14 5.913 -7.163 -1.486 1.00 0.00 N ATOM 202 CA PHE A 14 4.427 -7.034 -1.597 1.00 0.00 C ATOM 203 C PHE A 14 3.917 -7.699 -2.926 1.00 0.00 C ATOM 204 O PHE A 14 2.802 -8.228 -2.991 1.00 0.00 O ATOM 205 CB PHE A 14 4.038 -5.524 -1.542 1.00 0.00 C ATOM 206 CG PHE A 14 3.977 -4.860 -0.152 1.00 0.00 C ATOM 207 CD1 PHE A 14 4.639 -5.444 0.933 1.00 0.00 C ATOM 208 CD2 PHE A 14 3.230 -3.694 0.051 1.00 0.00 C ATOM 209 CE1 PHE A 14 4.551 -4.876 2.201 1.00 0.00 C ATOM 210 CE2 PHE A 14 3.141 -3.126 1.319 1.00 0.00 C ATOM 211 CZ PHE A 14 3.798 -3.718 2.394 1.00 0.00 C ATOM 0 H PHE A 14 6.405 -6.279 -1.617 1.00 0.00 H new ATOM 0 HA PHE A 14 3.952 -7.552 -0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.753 -4.969 -2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.062 -5.410 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.222 -6.341 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.719 -3.232 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.065 -5.332 3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.562 -2.226 1.469 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.725 -3.280 3.379 1.00 0.00 H new ATOM 221 N ASP A 15 4.721 -7.635 -4.002 1.00 0.00 N ATOM 222 CA ASP A 15 4.246 -7.852 -5.406 1.00 0.00 C ATOM 223 C ASP A 15 4.074 -9.371 -5.764 1.00 0.00 C ATOM 224 O ASP A 15 5.054 -10.114 -5.896 1.00 0.00 O ATOM 225 CB ASP A 15 5.215 -7.066 -6.343 1.00 0.00 C ATOM 226 CG ASP A 15 4.856 -7.035 -7.828 1.00 0.00 C ATOM 227 OD1 ASP A 15 3.775 -7.532 -8.214 1.00 0.00 O ATOM 228 OD2 ASP A 15 5.644 -6.480 -8.619 1.00 0.00 O ATOM 0 H ASP A 15 5.719 -7.433 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 15 3.236 -7.463 -5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.275 -6.038 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.211 -7.497 -6.242 1.00 0.00 H new ATOM 233 N LYS A 16 2.821 -9.850 -5.856 1.00 0.00 N ATOM 234 CA LYS A 16 2.486 -11.309 -5.801 1.00 0.00 C ATOM 235 C LYS A 16 2.679 -11.943 -7.225 1.00 0.00 C ATOM 236 O LYS A 16 3.306 -12.997 -7.378 1.00 0.00 O ATOM 237 CB LYS A 16 1.051 -11.537 -5.216 1.00 0.00 C ATOM 238 CG LYS A 16 0.115 -12.556 -5.935 1.00 0.00 C ATOM 239 CD LYS A 16 -0.607 -13.536 -4.987 1.00 0.00 C ATOM 240 CE LYS A 16 0.016 -13.719 -3.596 1.00 0.00 C ATOM 241 NZ LYS A 16 -0.866 -12.998 -2.631 1.00 0.00 N ATOM 0 H LYS A 16 2.005 -9.249 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 16 3.168 -11.817 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.161 -11.859 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.542 -10.573 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.632 -12.005 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.704 -13.129 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.634 -13.195 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.653 -14.511 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.087 -14.776 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.029 -13.316 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.481 -13.095 -1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.910 -11.991 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.822 -13.405 -2.664 1.00 0.00 H new ATOM 255 N ASN A 17 2.080 -11.333 -8.264 1.00 0.00 N ATOM 256 CA ASN A 17 2.110 -11.871 -9.662 1.00 0.00 C ATOM 257 C ASN A 17 3.145 -11.165 -10.610 1.00 0.00 C ATOM 258 O ASN A 17 3.712 -11.786 -11.516 1.00 0.00 O ATOM 259 CB ASN A 17 0.667 -11.817 -10.255 1.00 0.00 C ATOM 260 CG ASN A 17 -0.420 -12.804 -9.792 1.00 0.00 C ATOM 261 OD1 ASN A 17 -1.551 -12.409 -9.541 1.00 0.00 O ATOM 262 ND2 ASN A 17 -0.145 -14.075 -9.644 1.00 0.00 N ATOM 0 H ASN A 17 1.562 -10.459 -8.173 1.00 0.00 H new ATOM 0 HA ASN A 17 2.459 -12.902 -9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.285 -10.813 -10.072 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.762 -11.930 -11.335 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.868 -14.719 -9.324 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.792 -14.421 -9.849 1.00 0.00 H new ATOM 269 N ALA A 18 3.424 -9.872 -10.370 1.00 0.00 N ATOM 270 CA ALA A 18 4.705 -9.198 -10.749 1.00 0.00 C ATOM 271 C ALA A 18 4.764 -8.672 -12.228 1.00 0.00 C ATOM 272 O ALA A 18 5.786 -8.812 -12.914 1.00 0.00 O ATOM 273 CB ALA A 18 5.819 -10.221 -10.441 1.00 0.00 C ATOM 0 H ALA A 18 2.767 -9.247 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 18 4.819 -8.280 -10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.788 -9.792 -10.696 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.800 -10.471 -9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.656 -11.124 -11.029 1.00 0.00 H new ATOM 279 N ASP A 19 3.688 -8.029 -12.714 1.00 0.00 N ATOM 280 CA ASP A 19 3.761 -7.017 -13.814 1.00 0.00 C ATOM 281 C ASP A 19 4.597 -5.749 -13.406 1.00 0.00 C ATOM 282 O ASP A 19 5.018 -4.953 -14.252 1.00 0.00 O ATOM 283 CB ASP A 19 2.303 -6.719 -14.272 1.00 0.00 C ATOM 284 CG ASP A 19 1.580 -7.847 -15.009 1.00 0.00 C ATOM 285 OD1 ASP A 19 1.783 -8.018 -16.230 1.00 0.00 O ATOM 286 OD2 ASP A 19 0.780 -8.559 -14.369 1.00 0.00 O ATOM 0 H ASP A 19 2.742 -8.186 -12.366 1.00 0.00 H new ATOM 0 HA ASP A 19 4.314 -7.409 -14.668 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.716 -6.453 -13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.320 -5.843 -14.920 1.00 0.00 H new ATOM 291 N GLY A 20 4.816 -5.558 -12.091 1.00 0.00 N ATOM 292 CA GLY A 20 5.611 -4.416 -11.536 1.00 0.00 C ATOM 293 C GLY A 20 4.915 -3.628 -10.366 1.00 0.00 C ATOM 294 O GLY A 20 5.540 -3.313 -9.348 1.00 0.00 O ATOM 0 H GLY A 20 4.452 -6.184 -11.373 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.567 -4.798 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.829 -3.718 -12.344 1.00 0.00 H new ATOM 298 N TYR A 21 3.601 -3.372 -10.490 1.00 0.00 N ATOM 299 CA TYR A 21 2.867 -2.341 -9.691 1.00 0.00 C ATOM 300 C TYR A 21 1.581 -2.938 -9.011 1.00 0.00 C ATOM 301 O TYR A 21 1.115 -4.028 -9.361 1.00 0.00 O ATOM 302 CB TYR A 21 2.452 -1.127 -10.588 1.00 0.00 C ATOM 303 CG TYR A 21 1.502 -1.412 -11.768 1.00 0.00 C ATOM 304 CD1 TYR A 21 0.149 -1.675 -11.559 1.00 0.00 C ATOM 305 CD2 TYR A 21 1.995 -1.326 -13.079 1.00 0.00 C ATOM 306 CE1 TYR A 21 -0.699 -1.910 -12.644 1.00 0.00 C ATOM 307 CE2 TYR A 21 1.143 -1.554 -14.157 1.00 0.00 C ATOM 308 CZ TYR A 21 -0.188 -1.872 -13.942 1.00 0.00 C ATOM 309 OH TYR A 21 -1.013 -2.090 -15.014 1.00 0.00 O ATOM 0 H TYR A 21 3.003 -3.871 -11.148 1.00 0.00 H new ATOM 0 HA TYR A 21 3.551 -2.003 -8.913 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.981 -0.381 -9.948 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.361 -0.677 -10.988 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.245 -1.697 -10.554 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.033 -1.083 -13.252 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.745 -2.120 -12.479 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.522 -1.482 -15.166 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.495 -2.026 -15.844 1.00 0.00 H new ATOM 319 N ILE A 22 1.032 -2.229 -8.008 1.00 0.00 N ATOM 320 CA ILE A 22 0.069 -2.792 -7.011 1.00 0.00 C ATOM 321 C ILE A 22 -1.404 -2.415 -7.404 1.00 0.00 C ATOM 322 O ILE A 22 -1.653 -1.391 -8.051 1.00 0.00 O ATOM 323 CB ILE A 22 0.437 -2.366 -5.528 1.00 0.00 C ATOM 324 CG1 ILE A 22 1.936 -2.574 -5.139 1.00 0.00 C ATOM 325 CG2 ILE A 22 -0.439 -3.097 -4.470 1.00 0.00 C ATOM 326 CD1 ILE A 22 2.285 -2.353 -3.654 1.00 0.00 C ATOM 0 H ILE A 22 1.238 -1.242 -7.855 1.00 0.00 H new ATOM 0 HA ILE A 22 0.146 -3.879 -7.033 1.00 0.00 H new ATOM 0 HB ILE A 22 0.235 -1.295 -5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.224 -3.589 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.544 -1.897 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.149 -2.772 -3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.489 -2.858 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.293 -4.174 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.350 -2.525 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.038 -1.330 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.714 -3.048 -3.039 1.00 0.00 H new ATOM 338 N ASP A 23 -2.389 -3.225 -6.978 1.00 0.00 N ATOM 339 CA ASP A 23 -3.838 -2.986 -7.268 1.00 0.00 C ATOM 340 C ASP A 23 -4.738 -3.079 -5.983 1.00 0.00 C ATOM 341 O ASP A 23 -4.269 -3.428 -4.894 1.00 0.00 O ATOM 342 CB ASP A 23 -4.247 -3.953 -8.421 1.00 0.00 C ATOM 343 CG ASP A 23 -4.153 -5.448 -8.116 1.00 0.00 C ATOM 344 OD1 ASP A 23 -3.066 -6.027 -8.310 1.00 0.00 O ATOM 345 OD2 ASP A 23 -5.165 -6.062 -7.711 1.00 0.00 O ATOM 0 H ASP A 23 -2.218 -4.064 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.001 -1.961 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.273 -3.727 -8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.618 -3.740 -9.286 1.00 0.00 H new ATOM 350 N ILE A 24 -6.036 -2.752 -6.111 1.00 0.00 N ATOM 351 CA ILE A 24 -7.004 -2.729 -4.971 1.00 0.00 C ATOM 352 C ILE A 24 -7.408 -4.194 -4.570 1.00 0.00 C ATOM 353 O ILE A 24 -7.744 -4.470 -3.412 1.00 0.00 O ATOM 354 CB ILE A 24 -8.258 -1.807 -5.273 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.753 -0.953 -4.061 1.00 0.00 C ATOM 356 CG2 ILE A 24 -9.471 -2.619 -5.814 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.426 0.389 -4.411 1.00 0.00 C ATOM 0 H ILE A 24 -6.456 -2.494 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.510 -2.278 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.883 -1.122 -6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.458 -1.551 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.901 -0.751 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.305 -1.943 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.190 -3.120 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.769 -3.363 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.728 0.895 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.722 1.018 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.304 0.205 -5.030 1.00 0.00 H new ATOM 369 N GLU A 25 -7.378 -5.137 -5.528 1.00 0.00 N ATOM 370 CA GLU A 25 -7.542 -6.599 -5.249 1.00 0.00 C ATOM 371 C GLU A 25 -6.365 -7.218 -4.411 1.00 0.00 C ATOM 372 O GLU A 25 -6.578 -8.044 -3.517 1.00 0.00 O ATOM 373 CB GLU A 25 -7.851 -7.350 -6.586 1.00 0.00 C ATOM 374 CG GLU A 25 -7.543 -8.878 -6.678 1.00 0.00 C ATOM 375 CD GLU A 25 -7.693 -9.520 -8.052 1.00 0.00 C ATOM 376 OE1 GLU A 25 -6.712 -9.526 -8.823 1.00 0.00 O ATOM 377 OE2 GLU A 25 -8.778 -10.059 -8.354 1.00 0.00 O ATOM 0 H GLU A 25 -7.241 -4.923 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.400 -6.732 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.910 -7.213 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.295 -6.853 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.521 -9.041 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.200 -9.401 -5.983 1.00 0.00 H new ATOM 384 N GLU A 26 -5.124 -6.767 -4.667 1.00 0.00 N ATOM 385 CA GLU A 26 -3.897 -7.258 -3.966 1.00 0.00 C ATOM 386 C GLU A 26 -3.744 -6.717 -2.498 1.00 0.00 C ATOM 387 O GLU A 26 -3.302 -7.436 -1.595 1.00 0.00 O ATOM 388 CB GLU A 26 -2.649 -7.019 -4.880 1.00 0.00 C ATOM 389 CG GLU A 26 -2.440 -7.942 -6.122 1.00 0.00 C ATOM 390 CD GLU A 26 -1.159 -7.727 -6.919 1.00 0.00 C ATOM 391 OE1 GLU A 26 -0.203 -7.139 -6.374 1.00 0.00 O ATOM 392 OE2 GLU A 26 -1.087 -8.176 -8.081 1.00 0.00 O ATOM 0 H GLU A 26 -4.930 -6.050 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.994 -8.333 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.693 -5.990 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.760 -7.101 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.463 -8.978 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.287 -7.807 -6.794 1.00 0.00 H new ATOM 399 N LEU A 27 -4.063 -5.431 -2.275 1.00 0.00 N ATOM 400 CA LEU A 27 -3.860 -4.733 -0.967 1.00 0.00 C ATOM 401 C LEU A 27 -4.344 -5.605 0.245 1.00 0.00 C ATOM 402 O LEU A 27 -3.541 -6.074 1.060 1.00 0.00 O ATOM 403 CB LEU A 27 -4.567 -3.338 -1.015 1.00 0.00 C ATOM 404 CG LEU A 27 -4.485 -2.424 0.235 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.522 -2.859 1.283 1.00 0.00 C ATOM 406 CD2 LEU A 27 -3.091 -2.418 0.886 1.00 0.00 C ATOM 0 H LEU A 27 -4.472 -4.832 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.793 -4.578 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.152 -2.785 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.621 -3.508 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.693 -1.412 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.453 -2.209 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.522 -2.789 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.327 -3.889 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.098 -1.760 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.831 -3.429 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.355 -2.060 0.166 1.00 0.00 H new ATOM 418 N GLY A 28 -5.670 -5.769 0.403 1.00 0.00 N ATOM 419 CA GLY A 28 -6.276 -6.479 1.576 1.00 0.00 C ATOM 420 C GLY A 28 -5.558 -7.812 1.993 1.00 0.00 C ATOM 421 O GLY A 28 -5.212 -8.017 3.162 1.00 0.00 O ATOM 0 H GLY A 28 -6.358 -5.421 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.276 -5.802 2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.318 -6.702 1.347 1.00 0.00 H new ATOM 425 N GLU A 29 -5.374 -8.741 1.038 1.00 0.00 N ATOM 426 CA GLU A 29 -4.684 -10.047 1.281 1.00 0.00 C ATOM 427 C GLU A 29 -3.178 -9.901 1.705 1.00 0.00 C ATOM 428 O GLU A 29 -2.652 -10.696 2.492 1.00 0.00 O ATOM 429 CB GLU A 29 -4.926 -10.995 0.061 1.00 0.00 C ATOM 430 CG GLU A 29 -4.392 -10.566 -1.342 1.00 0.00 C ATOM 431 CD GLU A 29 -4.900 -11.365 -2.536 1.00 0.00 C ATOM 432 OE1 GLU A 29 -6.015 -11.920 -2.457 1.00 0.00 O ATOM 433 OE2 GLU A 29 -4.204 -11.419 -3.570 1.00 0.00 O ATOM 0 H GLU A 29 -5.693 -8.621 0.077 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.131 -10.515 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.483 -11.962 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.001 -11.150 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.648 -9.518 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.304 -10.629 -1.327 1.00 0.00 H new ATOM 440 N ILE A 30 -2.470 -8.903 1.145 1.00 0.00 N ATOM 441 CA ILE A 30 -1.087 -8.532 1.587 1.00 0.00 C ATOM 442 C ILE A 30 -1.063 -8.278 3.137 1.00 0.00 C ATOM 443 O ILE A 30 -0.270 -8.870 3.878 1.00 0.00 O ATOM 444 CB ILE A 30 -0.506 -7.315 0.754 1.00 0.00 C ATOM 445 CG1 ILE A 30 -0.015 -7.678 -0.685 1.00 0.00 C ATOM 446 CG2 ILE A 30 0.662 -6.600 1.493 1.00 0.00 C ATOM 447 CD1 ILE A 30 0.825 -8.965 -0.806 1.00 0.00 C ATOM 0 H ILE A 30 -2.824 -8.328 0.380 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.422 -9.371 1.383 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.364 -6.650 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.887 -7.774 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.575 -6.845 -1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.027 -5.774 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.307 -6.216 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.472 -7.309 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.110 -9.117 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.722 -8.873 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.238 -9.817 -0.463 1.00 0.00 H new ATOM 459 N LEU A 31 -1.926 -7.368 3.629 1.00 0.00 N ATOM 460 CA LEU A 31 -2.116 -7.129 5.094 1.00 0.00 C ATOM 461 C LEU A 31 -2.467 -8.463 5.851 1.00 0.00 C ATOM 462 O LEU A 31 -1.844 -8.810 6.860 1.00 0.00 O ATOM 463 CB LEU A 31 -3.184 -6.011 5.316 1.00 0.00 C ATOM 464 CG LEU A 31 -3.291 -4.880 4.256 1.00 0.00 C ATOM 465 CD1 LEU A 31 -4.406 -3.894 4.639 1.00 0.00 C ATOM 466 CD2 LEU A 31 -1.977 -4.102 4.074 1.00 0.00 C ATOM 0 H LEU A 31 -2.511 -6.777 3.038 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.177 -6.778 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.159 -6.492 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.984 -5.546 6.281 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.521 -5.369 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.470 -3.107 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.357 -4.423 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.183 -3.452 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.115 -3.326 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.692 -3.643 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.191 -4.785 3.751 1.00 0.00 H new ATOM 478 N ARG A 32 -3.449 -9.224 5.336 1.00 0.00 N ATOM 479 CA ARG A 32 -4.231 -10.214 6.144 1.00 0.00 C ATOM 480 C ARG A 32 -4.022 -11.672 5.596 1.00 0.00 C ATOM 481 O ARG A 32 -4.948 -12.489 5.579 1.00 0.00 O ATOM 482 CB ARG A 32 -5.685 -9.660 6.116 1.00 0.00 C ATOM 483 CG ARG A 32 -5.954 -8.471 7.064 1.00 0.00 C ATOM 484 CD ARG A 32 -6.734 -7.345 6.359 1.00 0.00 C ATOM 485 NE ARG A 32 -7.745 -7.964 5.456 1.00 0.00 N ATOM 486 CZ ARG A 32 -9.006 -8.234 5.774 1.00 0.00 C ATOM 487 NH1 ARG A 32 -9.534 -7.974 6.937 1.00 0.00 N ATOM 488 NH2 ARG A 32 -9.756 -8.790 4.877 1.00 0.00 N ATOM 0 H ARG A 32 -3.732 -9.181 4.357 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.911 -10.316 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.920 -9.352 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.370 -10.469 6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.518 -8.817 7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.007 -8.080 7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.223 -6.706 7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.054 -6.712 5.789 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.442 -8.201 4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.971 -7.538 7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.511 -8.207 7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.374 -9.008 3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.729 -9.010 5.091 1.00 0.00 H new ATOM 502 N ALA A 33 -2.810 -11.980 5.099 1.00 0.00 N ATOM 503 CA ALA A 33 -2.365 -13.384 4.826 1.00 0.00 C ATOM 504 C ALA A 33 -1.059 -13.820 5.584 1.00 0.00 C ATOM 505 O ALA A 33 -0.450 -13.034 6.317 1.00 0.00 O ATOM 506 CB ALA A 33 -2.220 -13.480 3.293 1.00 0.00 C ATOM 0 H ALA A 33 -2.106 -11.277 4.872 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.103 -14.087 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.896 -14.484 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.180 -13.269 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.481 -12.755 2.951 1.00 0.00 H new ATOM 512 N THR A 34 -0.594 -15.061 5.352 1.00 0.00 N ATOM 513 CA THR A 34 0.684 -15.585 5.931 1.00 0.00 C ATOM 514 C THR A 34 1.525 -16.294 4.810 1.00 0.00 C ATOM 515 O THR A 34 1.403 -17.503 4.584 1.00 0.00 O ATOM 516 CB THR A 34 0.386 -16.518 7.150 1.00 0.00 C ATOM 517 OG1 THR A 34 -0.703 -16.086 7.962 1.00 0.00 O ATOM 518 CG2 THR A 34 1.591 -16.582 8.101 1.00 0.00 C ATOM 0 H THR A 34 -1.081 -15.736 4.763 1.00 0.00 H new ATOM 0 HA THR A 34 1.285 -14.759 6.311 1.00 0.00 H new ATOM 0 HB THR A 34 0.150 -17.479 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.831 -16.717 8.701 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.358 -17.237 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.457 -16.972 7.566 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.815 -15.582 8.473 1.00 0.00 H new ATOM 526 N GLY A 35 2.357 -15.529 4.081 1.00 0.00 N ATOM 527 CA GLY A 35 2.873 -15.922 2.731 1.00 0.00 C ATOM 528 C GLY A 35 1.817 -16.603 1.787 1.00 0.00 C ATOM 529 O GLY A 35 1.049 -15.930 1.092 1.00 0.00 O ATOM 0 H GLY A 35 2.697 -14.621 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.261 -15.033 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.712 -16.605 2.864 1.00 0.00 H new HETATM 533 N NH2 A 36 1.780 -17.948 1.765 1.00 0.00 N TER 536 NH2 A 36 HETATM 537 C ACE B 37 -13.082 -5.734 12.718 1.00 0.00 C HETATM 538 O ACE B 37 -13.066 -4.501 12.793 1.00 0.00 O HETATM 539 CH3 ACE B 37 -13.665 -6.612 13.885 1.00 0.00 C HETATM 0 H1 ACE B 37 -14.498 -7.208 13.511 1.00 0.00 H new HETATM 0 H2 ACE B 37 -12.887 -7.274 14.265 1.00 0.00 H new HETATM 0 H3 ACE B 37 -14.014 -5.964 14.688 1.00 0.00 H new ATOM 543 N VAL B 38 -12.665 -6.376 11.612 1.00 0.00 N ATOM 544 CA VAL B 38 -12.287 -5.672 10.346 1.00 0.00 C ATOM 545 C VAL B 38 -13.117 -6.291 9.164 1.00 0.00 C ATOM 546 O VAL B 38 -13.448 -7.481 9.168 1.00 0.00 O ATOM 547 CB VAL B 38 -10.731 -5.709 10.119 1.00 0.00 C ATOM 548 CG1 VAL B 38 -10.261 -4.840 8.926 1.00 0.00 C ATOM 549 CG2 VAL B 38 -9.917 -5.232 11.347 1.00 0.00 C ATOM 0 H VAL B 38 -12.577 -7.391 11.557 1.00 0.00 H new ATOM 0 HA VAL B 38 -12.536 -4.613 10.407 1.00 0.00 H new ATOM 0 HB VAL B 38 -10.542 -6.764 9.921 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -9.178 -4.912 8.828 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -10.733 -5.194 8.010 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -10.541 -3.801 9.100 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -8.852 -5.284 11.120 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -10.188 -4.203 11.586 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -10.138 -5.873 12.201 1.00 0.00 H new ATOM 559 N THR B 39 -13.413 -5.488 8.127 1.00 0.00 N ATOM 560 CA THR B 39 -14.131 -5.960 6.901 1.00 0.00 C ATOM 561 C THR B 39 -13.407 -5.413 5.619 1.00 0.00 C ATOM 562 O THR B 39 -12.224 -5.055 5.654 1.00 0.00 O ATOM 563 CB THR B 39 -15.643 -5.560 6.964 1.00 0.00 C ATOM 564 OG1 THR B 39 -15.870 -4.158 7.067 1.00 0.00 O ATOM 565 CG2 THR B 39 -16.321 -6.166 8.203 1.00 0.00 C ATOM 0 H THR B 39 -13.169 -4.498 8.102 1.00 0.00 H new ATOM 0 HA THR B 39 -14.101 -7.048 6.850 1.00 0.00 H new ATOM 0 HB THR B 39 -16.052 -5.935 6.026 1.00 0.00 H new ATOM 0 HG1 THR B 39 -16.834 -3.984 7.100 1.00 0.00 H new ATOM 0 HG21 THR B 39 -17.371 -5.873 8.223 1.00 0.00 H new ATOM 0 HG22 THR B 39 -16.248 -7.253 8.163 1.00 0.00 H new ATOM 0 HG23 THR B 39 -15.825 -5.803 9.103 1.00 0.00 H new ATOM 573 N GLU B 40 -14.130 -5.319 4.488 1.00 0.00 N ATOM 574 CA GLU B 40 -13.626 -4.684 3.231 1.00 0.00 C ATOM 575 C GLU B 40 -13.658 -3.113 3.254 1.00 0.00 C ATOM 576 O GLU B 40 -12.764 -2.445 2.724 1.00 0.00 O ATOM 577 CB GLU B 40 -14.346 -5.330 2.001 1.00 0.00 C ATOM 578 CG GLU B 40 -15.748 -4.787 1.580 1.00 0.00 C ATOM 579 CD GLU B 40 -16.735 -5.810 1.031 1.00 0.00 C ATOM 580 OE1 GLU B 40 -16.293 -6.864 0.530 1.00 0.00 O ATOM 581 OE2 GLU B 40 -17.957 -5.561 1.081 1.00 0.00 O ATOM 0 H GLU B 40 -15.082 -5.678 4.408 1.00 0.00 H new ATOM 0 HA GLU B 40 -12.561 -4.896 3.141 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -13.683 -5.233 1.142 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -14.452 -6.396 2.203 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -16.202 -4.305 2.446 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -15.602 -4.014 0.825 1.00 0.00 H new ATOM 588 N GLU B 41 -14.711 -2.523 3.848 1.00 0.00 N ATOM 589 CA GLU B 41 -14.931 -1.042 3.845 1.00 0.00 C ATOM 590 C GLU B 41 -13.901 -0.245 4.724 1.00 0.00 C ATOM 591 O GLU B 41 -13.702 0.961 4.545 1.00 0.00 O ATOM 592 CB GLU B 41 -16.432 -0.741 4.168 1.00 0.00 C ATOM 593 CG GLU B 41 -17.536 -1.621 3.502 1.00 0.00 C ATOM 594 CD GLU B 41 -18.711 -0.879 2.878 1.00 0.00 C ATOM 595 OE1 GLU B 41 -19.633 -0.481 3.618 1.00 0.00 O ATOM 596 OE2 GLU B 41 -18.737 -0.716 1.640 1.00 0.00 O ATOM 0 H GLU B 41 -15.435 -3.043 4.343 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.726 -0.664 2.843 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -16.558 -0.815 5.248 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -16.627 0.296 3.894 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -17.067 -2.229 2.729 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -17.926 -2.307 4.254 1.00 0.00 H new ATOM 603 N ASP B 42 -13.253 -0.925 5.687 1.00 0.00 N ATOM 604 CA ASP B 42 -11.986 -0.449 6.327 1.00 0.00 C ATOM 605 C ASP B 42 -10.818 -0.264 5.294 1.00 0.00 C ATOM 606 O ASP B 42 -10.266 0.830 5.130 1.00 0.00 O ATOM 607 CB ASP B 42 -11.667 -1.421 7.504 1.00 0.00 C ATOM 608 CG ASP B 42 -12.392 -1.150 8.822 1.00 0.00 C ATOM 609 OD1 ASP B 42 -12.455 0.017 9.265 1.00 0.00 O ATOM 610 OD2 ASP B 42 -12.877 -2.117 9.443 1.00 0.00 O ATOM 0 H ASP B 42 -13.582 -1.819 6.052 1.00 0.00 H new ATOM 0 HA ASP B 42 -12.111 0.556 6.730 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -11.906 -2.435 7.184 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -10.594 -1.391 7.691 1.00 0.00 H new ATOM 615 N ILE B 43 -10.483 -1.333 4.543 1.00 0.00 N ATOM 616 CA ILE B 43 -9.433 -1.287 3.477 1.00 0.00 C ATOM 617 C ILE B 43 -9.814 -0.224 2.384 1.00 0.00 C ATOM 618 O ILE B 43 -8.975 0.563 1.934 1.00 0.00 O ATOM 619 CB ILE B 43 -9.142 -2.720 2.866 1.00 0.00 C ATOM 620 CG1 ILE B 43 -8.196 -3.622 3.723 1.00 0.00 C ATOM 621 CG2 ILE B 43 -8.552 -2.640 1.427 1.00 0.00 C ATOM 622 CD1 ILE B 43 -8.484 -3.653 5.237 1.00 0.00 C ATOM 0 H ILE B 43 -10.921 -2.248 4.648 1.00 0.00 H new ATOM 0 HA ILE B 43 -8.495 -0.968 3.932 1.00 0.00 H new ATOM 0 HB ILE B 43 -10.127 -3.186 2.854 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -8.254 -4.641 3.341 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -7.171 -3.283 3.575 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -8.370 -3.647 1.052 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -9.259 -2.131 0.772 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -7.614 -2.086 1.449 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -7.767 -4.310 5.730 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -8.395 -2.646 5.645 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -9.494 -4.025 5.408 1.00 0.00 H new ATOM 634 N GLU B 44 -11.098 -0.180 1.984 1.00 0.00 N ATOM 635 CA GLU B 44 -11.616 0.782 0.962 1.00 0.00 C ATOM 636 C GLU B 44 -11.648 2.274 1.454 1.00 0.00 C ATOM 637 O GLU B 44 -11.420 3.211 0.682 1.00 0.00 O ATOM 638 CB GLU B 44 -12.977 0.255 0.399 1.00 0.00 C ATOM 639 CG GLU B 44 -14.246 1.155 0.536 1.00 0.00 C ATOM 640 CD GLU B 44 -14.683 1.907 -0.715 1.00 0.00 C ATOM 641 OE1 GLU B 44 -14.189 1.584 -1.814 1.00 0.00 O ATOM 642 OE2 GLU B 44 -15.522 2.825 -0.608 1.00 0.00 O ATOM 0 H GLU B 44 -11.815 -0.805 2.353 1.00 0.00 H new ATOM 0 HA GLU B 44 -10.908 0.822 0.134 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -12.836 0.042 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -13.191 -0.695 0.889 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -15.075 0.528 0.865 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -14.064 1.883 1.326 1.00 0.00 H new ATOM 649 N ASP B 45 -11.935 2.490 2.751 1.00 0.00 N ATOM 650 CA ASP B 45 -11.847 3.834 3.404 1.00 0.00 C ATOM 651 C ASP B 45 -10.380 4.395 3.438 1.00 0.00 C ATOM 652 O ASP B 45 -10.124 5.545 3.063 1.00 0.00 O ATOM 653 CB ASP B 45 -12.534 3.720 4.798 1.00 0.00 C ATOM 654 CG ASP B 45 -14.061 3.804 4.809 1.00 0.00 C ATOM 655 OD1 ASP B 45 -14.707 3.459 3.796 1.00 0.00 O ATOM 656 OD2 ASP B 45 -14.625 4.233 5.836 1.00 0.00 O ATOM 0 H ASP B 45 -12.235 1.749 3.384 1.00 0.00 H new ATOM 0 HA ASP B 45 -12.377 4.584 2.818 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -12.240 2.772 5.248 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -12.143 4.511 5.438 1.00 0.00 H new ATOM 661 N LEU B 46 -9.406 3.562 3.847 1.00 0.00 N ATOM 662 CA LEU B 46 -7.976 3.979 3.999 1.00 0.00 C ATOM 663 C LEU B 46 -7.264 4.298 2.636 1.00 0.00 C ATOM 664 O LEU B 46 -6.553 5.299 2.495 1.00 0.00 O ATOM 665 CB LEU B 46 -7.216 2.878 4.818 1.00 0.00 C ATOM 666 CG LEU B 46 -5.723 3.095 5.166 1.00 0.00 C ATOM 667 CD1 LEU B 46 -5.474 4.541 5.618 1.00 0.00 C ATOM 668 CD2 LEU B 46 -5.214 2.130 6.248 1.00 0.00 C ATOM 0 H LEU B 46 -9.573 2.584 4.083 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.955 4.924 4.543 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.754 2.735 5.755 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -7.291 1.944 4.261 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.167 2.890 4.251 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.419 4.671 5.857 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.751 5.226 4.816 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -6.075 4.755 6.502 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -4.162 2.331 6.449 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -5.791 2.271 7.162 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.328 1.103 5.902 1.00 0.00 H new ATOM 680 N MET B 47 -7.430 3.415 1.631 1.00 0.00 N ATOM 681 CA MET B 47 -6.804 3.583 0.281 1.00 0.00 C ATOM 682 C MET B 47 -7.512 4.705 -0.561 1.00 0.00 C ATOM 683 O MET B 47 -6.881 5.398 -1.366 1.00 0.00 O ATOM 684 CB MET B 47 -6.822 2.222 -0.467 1.00 0.00 C ATOM 685 CG MET B 47 -6.412 2.288 -1.950 1.00 0.00 C ATOM 686 SD MET B 47 -4.866 1.404 -2.203 1.00 0.00 S ATOM 687 CE MET B 47 -4.912 1.302 -3.998 1.00 0.00 C ATOM 0 H MET B 47 -7.994 2.570 1.719 1.00 0.00 H new ATOM 0 HA MET B 47 -5.772 3.905 0.417 1.00 0.00 H new ATOM 0 HB2 MET B 47 -6.154 1.532 0.049 1.00 0.00 H new ATOM 0 HB3 MET B 47 -7.826 1.802 -0.402 1.00 0.00 H new ATOM 0 HG2 MET B 47 -7.195 1.853 -2.572 1.00 0.00 H new ATOM 0 HG3 MET B 47 -6.300 3.327 -2.259 1.00 0.00 H new ATOM 0 HE1 MET B 47 -4.072 0.703 -4.350 1.00 0.00 H new ATOM 0 HE2 MET B 47 -5.846 0.836 -4.312 1.00 0.00 H new ATOM 0 HE3 MET B 47 -4.846 2.304 -4.421 1.00 0.00 H new ATOM 697 N LYS B 48 -8.837 4.864 -0.390 1.00 0.00 N ATOM 698 CA LYS B 48 -9.641 5.928 -1.069 1.00 0.00 C ATOM 699 C LYS B 48 -9.563 7.276 -0.265 1.00 0.00 C ATOM 700 O LYS B 48 -9.949 8.340 -0.777 1.00 0.00 O ATOM 701 CB LYS B 48 -11.089 5.367 -1.269 1.00 0.00 C ATOM 702 CG LYS B 48 -11.906 5.912 -2.478 1.00 0.00 C ATOM 703 CD LYS B 48 -11.060 6.327 -3.716 1.00 0.00 C ATOM 704 CE LYS B 48 -11.859 6.827 -4.940 1.00 0.00 C ATOM 705 NZ LYS B 48 -12.477 8.153 -4.650 1.00 0.00 N ATOM 0 H LYS B 48 -9.392 4.264 0.221 1.00 0.00 H new ATOM 0 HA LYS B 48 -9.244 6.177 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -11.020 4.284 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -11.657 5.567 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.621 5.149 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -12.483 6.775 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.368 7.112 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -10.458 5.472 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -11.200 6.907 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -12.635 6.105 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.011 8.477 -5.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -13.121 8.066 -3.838 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.731 8.843 -4.428 1.00 0.00 H new ATOM 719 N ASP B 49 -9.063 7.267 0.988 1.00 0.00 N ATOM 720 CA ASP B 49 -8.509 8.503 1.635 1.00 0.00 C ATOM 721 C ASP B 49 -7.193 9.006 0.939 1.00 0.00 C ATOM 722 O ASP B 49 -7.097 10.158 0.500 1.00 0.00 O ATOM 723 CB ASP B 49 -8.371 8.230 3.163 1.00 0.00 C ATOM 724 CG ASP B 49 -7.992 9.427 4.034 1.00 0.00 C ATOM 725 OD1 ASP B 49 -6.788 9.743 4.118 1.00 0.00 O ATOM 726 OD2 ASP B 49 -8.880 10.040 4.664 1.00 0.00 O ATOM 0 H ASP B 49 -9.026 6.435 1.576 1.00 0.00 H new ATOM 0 HA ASP B 49 -9.196 9.339 1.504 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -9.318 7.829 3.526 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -7.620 7.452 3.305 1.00 0.00 H new ATOM 731 N SER B 50 -6.154 8.153 0.885 1.00 0.00 N ATOM 732 CA SER B 50 -4.860 8.478 0.207 1.00 0.00 C ATOM 733 C SER B 50 -4.967 8.490 -1.361 1.00 0.00 C ATOM 734 O SER B 50 -3.983 8.766 -2.060 1.00 0.00 O ATOM 735 CB SER B 50 -3.790 7.445 0.678 1.00 0.00 C ATOM 736 OG SER B 50 -2.893 7.995 1.653 1.00 0.00 O ATOM 0 H SER B 50 -6.174 7.223 1.303 1.00 0.00 H new ATOM 0 HA SER B 50 -4.573 9.491 0.489 1.00 0.00 H new ATOM 0 HB2 SER B 50 -4.291 6.573 1.099 1.00 0.00 H new ATOM 0 HB3 SER B 50 -3.219 7.099 -0.183 1.00 0.00 H new ATOM 0 HG SER B 50 -2.242 7.313 1.920 1.00 0.00 H new ATOM 742 N ASP B 51 -6.169 8.256 -1.918 1.00 0.00 N ATOM 743 CA ASP B 51 -6.405 8.267 -3.397 1.00 0.00 C ATOM 744 C ASP B 51 -6.322 9.711 -4.012 1.00 0.00 C ATOM 745 O ASP B 51 -7.016 10.635 -3.571 1.00 0.00 O ATOM 746 CB ASP B 51 -7.749 7.523 -3.660 1.00 0.00 C ATOM 747 CG ASP B 51 -8.129 7.307 -5.125 1.00 0.00 C ATOM 748 OD1 ASP B 51 -7.700 6.303 -5.734 1.00 0.00 O ATOM 749 OD2 ASP B 51 -8.892 8.130 -5.669 1.00 0.00 O ATOM 0 H ASP B 51 -7.006 8.054 -1.372 1.00 0.00 H new ATOM 0 HA ASP B 51 -5.609 7.737 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -7.702 6.550 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -8.550 8.083 -3.178 1.00 0.00 H new ATOM 754 N LYS B 52 -5.425 9.923 -4.991 1.00 0.00 N ATOM 755 CA LYS B 52 -5.523 11.053 -5.969 1.00 0.00 C ATOM 756 C LYS B 52 -6.799 10.878 -6.870 1.00 0.00 C ATOM 757 O LYS B 52 -7.882 10.528 -6.387 1.00 0.00 O ATOM 758 CB LYS B 52 -4.168 11.121 -6.748 1.00 0.00 C ATOM 759 CG LYS B 52 -2.860 11.163 -5.904 1.00 0.00 C ATOM 760 CD LYS B 52 -2.985 11.869 -4.524 1.00 0.00 C ATOM 761 CE LYS B 52 -3.319 13.377 -4.566 1.00 0.00 C ATOM 762 NZ LYS B 52 -2.149 14.153 -5.068 1.00 0.00 N ATOM 0 H LYS B 52 -4.611 9.327 -5.138 1.00 0.00 H new ATOM 0 HA LYS B 52 -5.663 12.017 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -4.115 10.256 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -4.188 12.007 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -2.518 10.141 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -2.088 11.669 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -3.758 11.361 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -2.047 11.739 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -4.181 13.548 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -3.593 13.723 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -2.388 15.165 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -1.336 14.003 -4.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -1.906 13.833 -6.027 1.00 0.00 H new ATOM 776 N ASN B 53 -6.684 11.188 -8.174 1.00 0.00 N ATOM 777 CA ASN B 53 -7.724 10.850 -9.195 1.00 0.00 C ATOM 778 C ASN B 53 -7.763 9.322 -9.557 1.00 0.00 C ATOM 779 O ASN B 53 -8.778 8.643 -9.369 1.00 0.00 O ATOM 780 CB ASN B 53 -7.477 11.746 -10.450 1.00 0.00 C ATOM 781 CG ASN B 53 -6.121 11.579 -11.139 1.00 0.00 C ATOM 782 OD1 ASN B 53 -5.079 11.561 -10.494 1.00 0.00 O ATOM 783 ND2 ASN B 53 -6.092 11.405 -12.435 1.00 0.00 N ATOM 0 H ASN B 53 -5.877 11.677 -8.560 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.709 11.056 -8.777 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.260 11.539 -11.179 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.585 12.789 -10.154 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -5.202 11.254 -12.910 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -6.960 11.420 -12.971 1.00 0.00 H new ATOM 790 N ASN B 54 -6.627 8.766 -10.017 1.00 0.00 N ATOM 791 CA ASN B 54 -6.404 7.287 -10.078 1.00 0.00 C ATOM 792 C ASN B 54 -7.463 6.533 -10.959 1.00 0.00 C ATOM 793 O ASN B 54 -8.561 6.202 -10.497 1.00 0.00 O ATOM 794 CB ASN B 54 -6.364 6.746 -8.615 1.00 0.00 C ATOM 795 CG ASN B 54 -5.130 7.120 -7.790 1.00 0.00 C ATOM 796 OD1 ASN B 54 -4.886 6.556 -6.727 1.00 0.00 O ATOM 797 ND2 ASN B 54 -4.348 8.079 -8.212 1.00 0.00 N ATOM 0 H ASN B 54 -5.836 9.313 -10.357 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.453 7.095 -10.575 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -7.249 7.108 -8.091 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -6.437 5.659 -8.650 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -3.538 8.357 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -4.548 8.549 -9.095 1.00 0.00 H new ATOM 804 N ASP B 55 -7.107 6.203 -12.213 1.00 0.00 N ATOM 805 CA ASP B 55 -7.824 5.181 -13.038 1.00 0.00 C ATOM 806 C ASP B 55 -8.306 3.949 -12.191 1.00 0.00 C ATOM 807 O ASP B 55 -9.441 3.480 -12.329 1.00 0.00 O ATOM 808 CB ASP B 55 -6.900 4.825 -14.241 1.00 0.00 C ATOM 809 CG ASP B 55 -6.801 5.870 -15.352 1.00 0.00 C ATOM 810 OD1 ASP B 55 -7.763 6.644 -15.529 1.00 0.00 O ATOM 811 OD2 ASP B 55 -5.783 5.907 -16.077 1.00 0.00 O ATOM 0 H ASP B 55 -6.316 6.630 -12.694 1.00 0.00 H new ATOM 0 HA ASP B 55 -8.759 5.584 -13.427 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -5.897 4.637 -13.858 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -7.254 3.892 -14.680 1.00 0.00 H new ATOM 816 N GLY B 56 -7.423 3.399 -11.338 1.00 0.00 N ATOM 817 CA GLY B 56 -7.732 2.194 -10.501 1.00 0.00 C ATOM 818 C GLY B 56 -6.621 1.801 -9.461 1.00 0.00 C ATOM 819 O GLY B 56 -6.918 1.398 -8.330 1.00 0.00 O ATOM 0 H GLY B 56 -6.480 3.763 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -8.663 2.373 -9.964 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -7.904 1.346 -11.163 1.00 0.00 H new ATOM 823 N ARG B 57 -5.337 1.911 -9.846 1.00 0.00 N ATOM 824 CA ARG B 57 -4.220 1.123 -9.237 1.00 0.00 C ATOM 825 C ARG B 57 -3.014 2.003 -8.748 1.00 0.00 C ATOM 826 O ARG B 57 -2.941 3.204 -9.034 1.00 0.00 O ATOM 827 CB ARG B 57 -3.780 0.050 -10.275 1.00 0.00 C ATOM 828 CG ARG B 57 -4.953 -0.733 -10.911 1.00 0.00 C ATOM 829 CD ARG B 57 -5.406 -0.150 -12.258 1.00 0.00 C ATOM 830 NE ARG B 57 -5.713 -1.302 -13.151 1.00 0.00 N ATOM 831 CZ ARG B 57 -6.869 -1.921 -13.308 1.00 0.00 C ATOM 832 NH1 ARG B 57 -7.953 -1.585 -12.677 1.00 0.00 N ATOM 833 NH2 ARG B 57 -6.929 -2.913 -14.130 1.00 0.00 N ATOM 0 H ARG B 57 -5.032 2.544 -10.586 1.00 0.00 H new ATOM 0 HA ARG B 57 -4.583 0.648 -8.326 1.00 0.00 H new ATOM 0 HB2 ARG B 57 -3.211 0.538 -11.067 1.00 0.00 H new ATOM 0 HB3 ARG B 57 -3.107 -0.656 -9.788 1.00 0.00 H new ATOM 0 HG2 ARG B 57 -4.654 -1.771 -11.053 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -5.797 -0.736 -10.221 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -6.284 0.482 -12.129 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -4.624 0.475 -12.690 1.00 0.00 H new ATOM 0 HE ARG B 57 -4.936 -1.656 -13.709 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -7.939 -0.805 -12.019 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -8.818 -2.101 -12.839 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -6.095 -3.203 -14.641 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -7.810 -3.408 -14.269 1.00 0.00 H new ATOM 847 N ILE B 58 -2.070 1.410 -7.995 1.00 0.00 N ATOM 848 CA ILE B 58 -0.898 2.135 -7.407 1.00 0.00 C ATOM 849 C ILE B 58 0.433 1.663 -8.091 1.00 0.00 C ATOM 850 O ILE B 58 0.661 0.457 -8.274 1.00 0.00 O ATOM 851 CB ILE B 58 -0.865 2.000 -5.826 1.00 0.00 C ATOM 852 CG1 ILE B 58 -2.041 2.735 -5.103 1.00 0.00 C ATOM 853 CG2 ILE B 58 0.474 2.499 -5.209 1.00 0.00 C ATOM 854 CD1 ILE B 58 -2.114 2.559 -3.575 1.00 0.00 C ATOM 0 H ILE B 58 -2.086 0.415 -7.769 1.00 0.00 H new ATOM 0 HA ILE B 58 -1.004 3.200 -7.613 1.00 0.00 H new ATOM 0 HB ILE B 58 -0.972 0.928 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -1.966 3.800 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -2.980 2.386 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE B 58 0.441 2.383 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE B 58 1.301 1.913 -5.611 1.00 0.00 H new ATOM 0 HG23 ILE B 58 0.620 3.550 -5.457 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -2.968 3.113 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -2.227 1.502 -3.336 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -1.198 2.938 -3.121 1.00 0.00 H new ATOM 866 N ASP B 59 1.352 2.591 -8.412 1.00 0.00 N ATOM 867 CA ASP B 59 2.765 2.270 -8.791 1.00 0.00 C ATOM 868 C ASP B 59 3.818 3.009 -7.891 1.00 0.00 C ATOM 869 O ASP B 59 3.470 3.833 -7.038 1.00 0.00 O ATOM 870 CB ASP B 59 2.910 2.540 -10.320 1.00 0.00 C ATOM 871 CG ASP B 59 2.697 3.981 -10.778 1.00 0.00 C ATOM 872 OD1 ASP B 59 2.814 4.897 -9.939 1.00 0.00 O ATOM 873 OD2 ASP B 59 2.447 4.217 -11.981 1.00 0.00 O ATOM 0 H ASP B 59 1.148 3.590 -8.420 1.00 0.00 H new ATOM 0 HA ASP B 59 2.985 1.219 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP B 59 3.907 2.227 -10.629 1.00 0.00 H new ATOM 0 HB3 ASP B 59 2.199 1.905 -10.848 1.00 0.00 H new ATOM 878 N PHE B 60 5.113 2.687 -8.060 1.00 0.00 N ATOM 879 CA PHE B 60 6.163 2.821 -7.003 1.00 0.00 C ATOM 880 C PHE B 60 6.168 4.248 -6.347 1.00 0.00 C ATOM 881 O PHE B 60 6.263 4.401 -5.122 1.00 0.00 O ATOM 882 CB PHE B 60 7.558 2.469 -7.613 1.00 0.00 C ATOM 883 CG PHE B 60 8.735 2.227 -6.641 1.00 0.00 C ATOM 884 CD1 PHE B 60 8.553 2.252 -5.253 1.00 0.00 C ATOM 885 CD2 PHE B 60 10.007 1.949 -7.156 1.00 0.00 C ATOM 886 CE1 PHE B 60 9.629 2.024 -4.396 1.00 0.00 C ATOM 887 CE2 PHE B 60 11.081 1.724 -6.299 1.00 0.00 C ATOM 888 CZ PHE B 60 10.888 1.746 -4.921 1.00 0.00 C ATOM 0 H PHE B 60 5.476 2.321 -8.940 1.00 0.00 H new ATOM 0 HA PHE B 60 5.934 2.120 -6.201 1.00 0.00 H new ATOM 0 HB2 PHE B 60 7.439 1.574 -8.223 1.00 0.00 H new ATOM 0 HB3 PHE B 60 7.842 3.278 -8.286 1.00 0.00 H new ATOM 0 HD1 PHE B 60 7.573 2.449 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE B 60 10.156 1.909 -8.225 1.00 0.00 H new ATOM 0 HE1 PHE B 60 9.486 2.063 -3.326 1.00 0.00 H new ATOM 0 HE2 PHE B 60 12.064 1.532 -6.704 1.00 0.00 H new ATOM 0 HZ PHE B 60 11.717 1.547 -4.258 1.00 0.00 H new ATOM 898 N ASP B 61 5.994 5.305 -7.159 1.00 0.00 N ATOM 899 CA ASP B 61 5.703 6.684 -6.685 1.00 0.00 C ATOM 900 C ASP B 61 4.603 6.749 -5.569 1.00 0.00 C ATOM 901 O ASP B 61 4.879 6.954 -4.384 1.00 0.00 O ATOM 902 CB ASP B 61 5.323 7.478 -7.998 1.00 0.00 C ATOM 903 CG ASP B 61 5.954 7.015 -9.334 1.00 0.00 C ATOM 904 OD1 ASP B 61 7.184 6.800 -9.338 1.00 0.00 O ATOM 905 OD2 ASP B 61 5.245 6.889 -10.353 1.00 0.00 O ATOM 0 H ASP B 61 6.051 5.233 -8.175 1.00 0.00 H new ATOM 0 HA ASP B 61 6.562 7.126 -6.181 1.00 0.00 H new ATOM 0 HB2 ASP B 61 4.239 7.440 -8.109 1.00 0.00 H new ATOM 0 HB3 ASP B 61 5.592 8.523 -7.846 1.00 0.00 H new ATOM 910 N GLU B 62 3.318 6.630 -5.990 1.00 0.00 N ATOM 911 CA GLU B 62 2.155 6.434 -5.071 1.00 0.00 C ATOM 912 C GLU B 62 2.503 5.639 -3.762 1.00 0.00 C ATOM 913 O GLU B 62 2.050 6.000 -2.664 1.00 0.00 O ATOM 914 CB GLU B 62 0.937 5.859 -5.872 1.00 0.00 C ATOM 915 CG GLU B 62 0.690 6.358 -7.331 1.00 0.00 C ATOM 916 CD GLU B 62 -0.599 7.133 -7.576 1.00 0.00 C ATOM 917 OE1 GLU B 62 -1.636 6.500 -7.861 1.00 0.00 O ATOM 918 OE2 GLU B 62 -0.575 8.380 -7.527 1.00 0.00 O ATOM 0 H GLU B 62 3.054 6.666 -6.974 1.00 0.00 H new ATOM 0 HA GLU B 62 1.862 7.411 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.049 4.775 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU B 62 0.036 6.067 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU B 62 1.529 6.991 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU B 62 0.699 5.493 -7.994 1.00 0.00 H new ATOM 925 N PHE B 63 3.292 4.554 -3.862 1.00 0.00 N ATOM 926 CA PHE B 63 3.716 3.737 -2.679 1.00 0.00 C ATOM 927 C PHE B 63 4.482 4.595 -1.609 1.00 0.00 C ATOM 928 O PHE B 63 4.185 4.545 -0.411 1.00 0.00 O ATOM 929 CB PHE B 63 4.577 2.528 -3.170 1.00 0.00 C ATOM 930 CG PHE B 63 4.924 1.414 -2.154 1.00 0.00 C ATOM 931 CD1 PHE B 63 3.931 0.608 -1.583 1.00 0.00 C ATOM 932 CD2 PHE B 63 6.262 1.198 -1.802 1.00 0.00 C ATOM 933 CE1 PHE B 63 4.261 -0.328 -0.601 1.00 0.00 C ATOM 934 CE2 PHE B 63 6.592 0.265 -0.822 1.00 0.00 C ATOM 935 CZ PHE B 63 5.590 -0.481 -0.201 1.00 0.00 C ATOM 0 H PHE B 63 3.658 4.210 -4.750 1.00 0.00 H new ATOM 0 HA PHE B 63 2.823 3.361 -2.180 1.00 0.00 H new ATOM 0 HB2 PHE B 63 4.053 2.064 -4.006 1.00 0.00 H new ATOM 0 HB3 PHE B 63 5.514 2.924 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE B 63 2.905 0.711 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE B 63 7.043 1.759 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE B 63 3.488 -0.934 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE B 63 7.625 0.119 -0.542 1.00 0.00 H new ATOM 0 HZ PHE B 63 5.842 -1.175 0.587 1.00 0.00 H new ATOM 945 N LEU B 64 5.465 5.400 -2.051 1.00 0.00 N ATOM 946 CA LEU B 64 6.281 6.285 -1.162 1.00 0.00 C ATOM 947 C LEU B 64 5.395 7.363 -0.442 1.00 0.00 C ATOM 948 O LEU B 64 5.740 7.866 0.633 1.00 0.00 O ATOM 949 CB LEU B 64 7.440 6.927 -1.989 1.00 0.00 C ATOM 950 CG LEU B 64 8.607 6.006 -2.434 1.00 0.00 C ATOM 951 CD1 LEU B 64 9.347 6.623 -3.632 1.00 0.00 C ATOM 952 CD2 LEU B 64 9.620 5.731 -1.310 1.00 0.00 C ATOM 0 H LEU B 64 5.726 5.464 -3.035 1.00 0.00 H new ATOM 0 HA LEU B 64 6.720 5.681 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU B 64 7.006 7.374 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU B 64 7.862 7.741 -1.399 1.00 0.00 H new ATOM 0 HG LEU B 64 8.154 5.054 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU B 64 10.163 5.966 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.654 6.745 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.750 7.596 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.411 5.081 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.053 6.672 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.115 5.244 -0.476 1.00 0.00 H new ATOM 964 N LYS B 65 4.212 7.670 -1.007 1.00 0.00 N ATOM 965 CA LYS B 65 3.199 8.567 -0.366 1.00 0.00 C ATOM 966 C LYS B 65 2.272 7.716 0.577 1.00 0.00 C ATOM 967 O LYS B 65 2.090 8.036 1.757 1.00 0.00 O ATOM 968 CB LYS B 65 2.527 9.274 -1.586 1.00 0.00 C ATOM 969 CG LYS B 65 3.430 9.895 -2.679 1.00 0.00 C ATOM 970 CD LYS B 65 2.713 11.109 -3.324 1.00 0.00 C ATOM 971 CE LYS B 65 3.609 12.196 -3.939 1.00 0.00 C ATOM 972 NZ LYS B 65 4.886 12.257 -3.155 1.00 0.00 N ATOM 0 H LYS B 65 3.921 7.311 -1.916 1.00 0.00 H new ATOM 0 HA LYS B 65 3.580 9.331 0.311 1.00 0.00 H new ATOM 0 HB2 LYS B 65 1.875 8.547 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.887 10.066 -1.197 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.379 10.210 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS B 65 3.660 9.150 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS B 65 2.048 10.736 -4.103 1.00 0.00 H new ATOM 0 HD3 LYS B 65 2.085 11.576 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS B 65 3.817 11.969 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS B 65 3.104 13.162 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 5.400 13.129 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 4.669 12.252 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 5.476 11.432 -3.387 1.00 0.00 H new ATOM 986 N MET B 66 1.701 6.617 0.055 1.00 0.00 N ATOM 987 CA MET B 66 0.858 5.672 0.854 1.00 0.00 C ATOM 988 C MET B 66 1.515 5.194 2.198 1.00 0.00 C ATOM 989 O MET B 66 0.839 4.678 3.095 1.00 0.00 O ATOM 990 CB MET B 66 0.508 4.456 -0.057 1.00 0.00 C ATOM 991 CG MET B 66 -0.441 3.403 0.559 1.00 0.00 C ATOM 992 SD MET B 66 0.345 1.784 0.563 1.00 0.00 S ATOM 993 CE MET B 66 0.564 1.591 -1.213 1.00 0.00 C ATOM 0 H MET B 66 1.801 6.348 -0.924 1.00 0.00 H new ATOM 0 HA MET B 66 -0.038 6.209 1.164 1.00 0.00 H new ATOM 0 HB2 MET B 66 0.056 4.832 -0.974 1.00 0.00 H new ATOM 0 HB3 MET B 66 1.436 3.959 -0.340 1.00 0.00 H new ATOM 0 HG2 MET B 66 -0.703 3.691 1.577 1.00 0.00 H new ATOM 0 HG3 MET B 66 -1.370 3.363 -0.010 1.00 0.00 H new ATOM 0 HE1 MET B 66 1.107 0.667 -1.414 1.00 0.00 H new ATOM 0 HE2 MET B 66 -0.411 1.552 -1.698 1.00 0.00 H new ATOM 0 HE3 MET B 66 1.130 2.437 -1.604 1.00 0.00 H new ATOM 1003 N MET B 67 2.835 5.401 2.352 1.00 0.00 N ATOM 1004 CA MET B 67 3.519 5.483 3.680 1.00 0.00 C ATOM 1005 C MET B 67 3.508 6.960 4.215 1.00 0.00 C ATOM 1006 O MET B 67 2.831 7.281 5.198 1.00 0.00 O ATOM 1007 CB MET B 67 4.980 4.962 3.562 1.00 0.00 C ATOM 1008 CG MET B 67 5.136 3.546 2.969 1.00 0.00 C ATOM 1009 SD MET B 67 5.380 2.357 4.300 1.00 0.00 S ATOM 1010 CE MET B 67 4.637 0.904 3.538 1.00 0.00 C ATOM 0 H MET B 67 3.471 5.518 1.563 1.00 0.00 H new ATOM 0 HA MET B 67 2.978 4.856 4.389 1.00 0.00 H new ATOM 0 HB2 MET B 67 5.547 5.659 2.945 1.00 0.00 H new ATOM 0 HB3 MET B 67 5.432 4.973 4.554 1.00 0.00 H new ATOM 0 HG2 MET B 67 4.250 3.283 2.391 1.00 0.00 H new ATOM 0 HG3 MET B 67 5.983 3.519 2.284 1.00 0.00 H new ATOM 0 HE1 MET B 67 4.698 0.061 4.226 1.00 0.00 H new ATOM 0 HE2 MET B 67 3.592 1.109 3.307 1.00 0.00 H new ATOM 0 HE3 MET B 67 5.171 0.662 2.619 1.00 0.00 H new ATOM 1020 N GLU B 68 4.267 7.863 3.567 1.00 0.00 N ATOM 1021 CA GLU B 68 4.783 9.113 4.208 1.00 0.00 C ATOM 1022 C GLU B 68 3.841 10.357 4.028 1.00 0.00 C ATOM 1023 O GLU B 68 3.614 11.131 4.965 1.00 0.00 O ATOM 1024 CB GLU B 68 6.264 9.349 3.762 1.00 0.00 C ATOM 1025 CG GLU B 68 7.071 10.513 4.419 1.00 0.00 C ATOM 1026 CD GLU B 68 7.775 11.472 3.467 1.00 0.00 C ATOM 1027 OE1 GLU B 68 8.898 11.166 3.018 1.00 0.00 O ATOM 1028 OE2 GLU B 68 7.205 12.539 3.159 1.00 0.00 O ATOM 0 H GLU B 68 4.545 7.759 2.591 1.00 0.00 H new ATOM 0 HA GLU B 68 4.780 8.973 5.289 1.00 0.00 H new ATOM 0 HB2 GLU B 68 6.814 8.425 3.940 1.00 0.00 H new ATOM 0 HB3 GLU B 68 6.262 9.516 2.685 1.00 0.00 H new ATOM 0 HG2 GLU B 68 6.390 11.091 5.044 1.00 0.00 H new ATOM 0 HG3 GLU B 68 7.820 10.078 5.081 1.00 0.00 H new ATOM 1035 N GLY B 69 3.311 10.565 2.809 1.00 0.00 N ATOM 1036 CA GLY B 69 2.707 11.870 2.388 1.00 0.00 C ATOM 1037 C GLY B 69 1.664 12.477 3.395 1.00 0.00 C ATOM 1038 O GLY B 69 1.988 13.355 4.202 1.00 0.00 O ATOM 0 H GLY B 69 3.283 9.848 2.084 1.00 0.00 H new ATOM 0 HA2 GLY B 69 3.509 12.593 2.240 1.00 0.00 H new ATOM 0 HA3 GLY B 69 2.220 11.733 1.423 1.00 0.00 H new ATOM 1042 N VAL B 70 0.406 12.003 3.347 1.00 0.00 N ATOM 1043 CA VAL B 70 -0.703 12.524 4.207 1.00 0.00 C ATOM 1044 C VAL B 70 -0.945 11.507 5.380 1.00 0.00 C ATOM 1045 O VAL B 70 -0.967 10.288 5.178 1.00 0.00 O ATOM 1046 CB VAL B 70 -1.988 12.827 3.352 1.00 0.00 C ATOM 1047 CG1 VAL B 70 -3.038 13.685 4.102 1.00 0.00 C ATOM 1048 CG2 VAL B 70 -1.686 13.573 2.028 1.00 0.00 C ATOM 0 H VAL B 70 0.118 11.253 2.719 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.429 13.481 4.650 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.383 11.832 3.148 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -3.898 13.856 3.454 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -3.360 13.161 5.002 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -2.596 14.642 4.378 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -2.617 13.749 1.489 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -1.208 14.527 2.249 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -1.020 12.968 1.413 1.00 0.00 H new ATOM 1058 N GLN B 71 -1.089 12.011 6.619 1.00 0.00 N ATOM 1059 CA GLN B 71 -0.992 11.179 7.860 1.00 0.00 C ATOM 1060 C GLN B 71 -2.407 10.751 8.391 1.00 0.00 C ATOM 1061 O GLN B 71 -3.163 10.052 7.704 1.00 0.00 O ATOM 1062 CB GLN B 71 -0.118 11.960 8.881 1.00 0.00 C ATOM 1063 CG GLN B 71 -0.491 13.464 9.023 1.00 0.00 C ATOM 1064 CD GLN B 71 0.141 14.215 10.196 1.00 0.00 C ATOM 1065 OE1 GLN B 71 -0.475 15.042 10.856 1.00 0.00 O ATOM 1066 NE2 GLN B 71 1.387 13.957 10.498 1.00 0.00 N ATOM 0 H GLN B 71 -1.275 12.997 6.801 1.00 0.00 H new ATOM 0 HA GLN B 71 -0.503 10.226 7.659 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.205 11.482 9.857 1.00 0.00 H new ATOM 0 HB3 GLN B 71 0.927 11.883 8.581 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.211 13.974 8.101 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -1.575 13.540 9.113 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.911 13.270 9.956 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.834 14.443 11.275 1.00 0.00 H new HETATM 1075 N NH2 B 72 -2.756 11.140 9.631 1.00 0.00 N TER 1078 NH2 B 72