USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 22 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.22) USER MOD Single : A 25 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.9!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.482 K(o=-0.48,f=-1.4) USER MOD Single : A 35 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 36 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc=-0.00932 (180deg=-0.0585) USER MOD Single : A 44 THR OG1 : rot 167:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0.616 (180deg=0.409) USER MOD Single : A 58 THR OG1 : rot 67:sc= 0.491 USER MOD Single : A 60 SER OG : rot 21:sc= 0.297 USER MOD Single : A 67 SER OG : rot 89:sc= 1.27 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.972 K(o=-0.97,f=-5.4!) USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0342) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= -0.0117 (180deg=-0.195) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 59:sc= 1.28 USER MOD Single : A 100 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.1) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.187 F(o=-1.5,f=-0.19) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN :FLIP amide:sc= -0.0766 F(o=-0.94,f=-0.077) USER MOD Single : A 112 SER OG : rot -160:sc= -0.1 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 20 10.720 8.234 1.406 1.00 0.00 N ATOM 32 CA ALA A 20 10.046 6.948 1.645 1.00 0.00 C ATOM 33 C ALA A 20 8.535 7.066 1.387 1.00 0.00 C ATOM 34 O ALA A 20 7.924 6.241 0.677 1.00 0.00 O ATOM 35 CB ALA A 20 10.302 6.491 3.063 1.00 0.00 C ATOM 0 HA ALA A 20 10.451 6.210 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.801 5.538 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.374 6.370 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.916 7.235 3.760 1.00 0.00 H new ATOM 41 N THR A 21 7.949 8.107 1.922 1.00 0.00 N ATOM 42 CA THR A 21 6.557 8.366 1.738 1.00 0.00 C ATOM 43 C THR A 21 6.236 8.781 0.297 1.00 0.00 C ATOM 44 O THR A 21 5.136 8.533 -0.193 1.00 0.00 O ATOM 45 CB THR A 21 6.070 9.382 2.759 1.00 0.00 C ATOM 46 OG1 THR A 21 7.169 10.254 3.127 1.00 0.00 O ATOM 47 CG2 THR A 21 5.545 8.681 3.996 1.00 0.00 C ATOM 0 H THR A 21 8.432 8.797 2.498 1.00 0.00 H new ATOM 0 HA THR A 21 6.011 7.438 1.909 1.00 0.00 H new ATOM 0 HB THR A 21 5.262 9.967 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.859 10.912 3.784 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.201 9.423 4.716 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.715 8.030 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.341 8.085 4.442 1.00 0.00 H new ATOM 55 N GLN A 22 7.210 9.400 -0.374 1.00 0.00 N ATOM 56 CA GLN A 22 7.100 9.711 -1.798 1.00 0.00 C ATOM 57 C GLN A 22 7.011 8.421 -2.595 1.00 0.00 C ATOM 58 O GLN A 22 6.209 8.309 -3.517 1.00 0.00 O ATOM 59 CB GLN A 22 8.301 10.523 -2.291 1.00 0.00 C ATOM 60 CG GLN A 22 8.353 11.955 -1.804 1.00 0.00 C ATOM 61 CD GLN A 22 7.233 12.791 -2.369 1.00 0.00 C ATOM 62 OE1 GLN A 22 6.148 12.902 -1.787 1.00 0.00 O ATOM 63 NE2 GLN A 22 7.464 13.360 -3.513 1.00 0.00 N ATOM 0 H GLN A 22 8.089 9.697 0.051 1.00 0.00 H new ATOM 0 HA GLN A 22 6.200 10.309 -1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.215 10.017 -1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.294 10.527 -3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.300 11.969 -0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.310 12.397 -2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.371 13.247 -3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.738 13.920 -3.960 1.00 0.00 H new ATOM 72 N ARG A 23 7.806 7.432 -2.193 1.00 0.00 N ATOM 73 CA ARG A 23 7.830 6.139 -2.856 1.00 0.00 C ATOM 74 C ARG A 23 6.481 5.466 -2.755 1.00 0.00 C ATOM 75 O ARG A 23 6.003 4.877 -3.722 1.00 0.00 O ATOM 76 CB ARG A 23 8.875 5.199 -2.240 1.00 0.00 C ATOM 77 CG ARG A 23 10.322 5.623 -2.382 1.00 0.00 C ATOM 78 CD ARG A 23 10.774 5.668 -3.831 1.00 0.00 C ATOM 79 NE ARG A 23 12.211 5.928 -3.929 1.00 0.00 N ATOM 80 CZ ARG A 23 12.858 6.361 -5.015 1.00 0.00 C ATOM 81 NH1 ARG A 23 12.198 6.618 -6.143 1.00 0.00 N ATOM 82 NH2 ARG A 23 14.175 6.531 -4.971 1.00 0.00 N ATOM 0 H ARG A 23 8.447 7.507 -1.403 1.00 0.00 H new ATOM 0 HA ARG A 23 8.087 6.329 -3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.653 5.088 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.760 4.215 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.455 6.607 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.956 4.931 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.539 4.721 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.224 6.445 -4.362 1.00 0.00 H new ATOM 0 HE ARG A 23 12.770 5.764 -3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.188 6.485 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.703 6.948 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.687 6.331 -4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.674 6.861 -5.797 1.00 0.00 H new ATOM 96 N PHE A 24 5.845 5.560 -1.605 1.00 0.00 N ATOM 97 CA PHE A 24 4.580 4.880 -1.453 1.00 0.00 C ATOM 98 C PHE A 24 3.367 5.783 -1.518 1.00 0.00 C ATOM 99 O PHE A 24 2.254 5.371 -1.179 1.00 0.00 O ATOM 100 CB PHE A 24 4.582 3.931 -0.264 1.00 0.00 C ATOM 101 CG PHE A 24 5.503 2.765 -0.501 1.00 0.00 C ATOM 102 CD1 PHE A 24 5.360 2.001 -1.651 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.501 2.431 0.395 1.00 0.00 C ATOM 104 CE1 PHE A 24 6.188 0.939 -1.902 1.00 0.00 C ATOM 105 CE2 PHE A 24 7.333 1.356 0.139 1.00 0.00 C ATOM 106 CZ PHE A 24 7.176 0.613 -1.007 1.00 0.00 C ATOM 0 H PHE A 24 6.170 6.081 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 24 4.474 4.258 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.893 4.467 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.570 3.568 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.583 2.248 -2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.631 3.011 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.063 0.358 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.110 1.099 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.829 -0.225 -1.202 1.00 0.00 H new ATOM 116 N HIS A 25 3.556 6.973 -2.068 1.00 0.00 N ATOM 117 CA HIS A 25 2.460 7.921 -2.252 1.00 0.00 C ATOM 118 C HIS A 25 1.427 7.371 -3.250 1.00 0.00 C ATOM 119 O HIS A 25 0.255 7.731 -3.201 1.00 0.00 O ATOM 120 CB HIS A 25 2.985 9.308 -2.679 1.00 0.00 C ATOM 121 CG HIS A 25 1.916 10.330 -2.995 1.00 0.00 C ATOM 122 ND1 HIS A 25 1.097 10.898 -2.046 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.535 10.871 -4.177 1.00 0.00 C ATOM 124 CE1 HIS A 25 0.271 11.737 -2.625 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.514 11.741 -3.916 1.00 0.00 N ATOM 0 H HIS A 25 4.461 7.309 -2.397 1.00 0.00 H new ATOM 0 HA HIS A 25 1.958 8.050 -1.293 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.617 9.701 -1.883 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.619 9.185 -3.557 1.00 0.00 H new ATOM 0 HD1 HIS A 25 1.127 10.698 -1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.960 10.655 -5.146 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.483 12.326 -2.124 1.00 0.00 H new ATOM 134 N GLU A 26 1.875 6.502 -4.140 1.00 0.00 N ATOM 135 CA GLU A 26 0.993 5.835 -5.086 1.00 0.00 C ATOM 136 C GLU A 26 -0.037 4.975 -4.349 1.00 0.00 C ATOM 137 O GLU A 26 -1.223 4.997 -4.657 1.00 0.00 O ATOM 138 CB GLU A 26 1.802 4.998 -6.105 1.00 0.00 C ATOM 139 CG GLU A 26 2.768 3.991 -5.486 1.00 0.00 C ATOM 140 CD GLU A 26 3.523 3.193 -6.519 1.00 0.00 C ATOM 141 OE1 GLU A 26 4.556 3.680 -7.027 1.00 0.00 O ATOM 142 OE2 GLU A 26 3.125 2.069 -6.832 1.00 0.00 O ATOM 0 H GLU A 26 2.856 6.239 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 26 0.453 6.598 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.104 4.462 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.367 5.677 -6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.479 4.520 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.212 3.309 -4.842 1.00 0.00 H new ATOM 149 N ILE A 27 0.405 4.295 -3.323 1.00 0.00 N ATOM 150 CA ILE A 27 -0.478 3.428 -2.579 1.00 0.00 C ATOM 151 C ILE A 27 -1.333 4.294 -1.677 1.00 0.00 C ATOM 152 O ILE A 27 -2.508 4.039 -1.490 1.00 0.00 O ATOM 153 CB ILE A 27 0.295 2.408 -1.714 1.00 0.00 C ATOM 154 CG1 ILE A 27 1.483 1.815 -2.495 1.00 0.00 C ATOM 155 CG2 ILE A 27 -0.651 1.290 -1.272 1.00 0.00 C ATOM 156 CD1 ILE A 27 1.108 1.063 -3.752 1.00 0.00 C ATOM 0 H ILE A 27 1.366 4.323 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.083 2.862 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 27 0.687 2.922 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.163 2.624 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.032 1.142 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.104 0.571 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.468 1.714 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.055 0.787 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.010 0.683 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.455 0.229 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.588 1.734 -4.436 1.00 0.00 H new ATOM 168 N GLU A 28 -0.722 5.352 -1.176 1.00 0.00 N ATOM 169 CA GLU A 28 -1.371 6.325 -0.314 1.00 0.00 C ATOM 170 C GLU A 28 -2.565 6.970 -1.034 1.00 0.00 C ATOM 171 O GLU A 28 -3.667 7.054 -0.478 1.00 0.00 O ATOM 172 CB GLU A 28 -0.340 7.377 0.089 1.00 0.00 C ATOM 173 CG GLU A 28 -0.836 8.483 0.994 1.00 0.00 C ATOM 174 CD GLU A 28 0.264 9.458 1.324 1.00 0.00 C ATOM 175 OE1 GLU A 28 0.580 10.332 0.484 1.00 0.00 O ATOM 176 OE2 GLU A 28 0.841 9.379 2.421 1.00 0.00 O ATOM 0 H GLU A 28 0.259 5.564 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.757 5.834 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.488 6.873 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.061 7.830 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.658 9.010 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.231 8.053 1.914 1.00 0.00 H new ATOM 183 N LYS A 29 -2.351 7.386 -2.281 1.00 0.00 N ATOM 184 CA LYS A 29 -3.418 7.997 -3.068 1.00 0.00 C ATOM 185 C LYS A 29 -4.519 6.979 -3.364 1.00 0.00 C ATOM 186 O LYS A 29 -5.701 7.318 -3.366 1.00 0.00 O ATOM 187 CB LYS A 29 -2.905 8.673 -4.362 1.00 0.00 C ATOM 188 CG LYS A 29 -2.300 7.729 -5.389 1.00 0.00 C ATOM 189 CD LYS A 29 -1.799 8.454 -6.629 1.00 0.00 C ATOM 190 CE LYS A 29 -2.924 9.147 -7.387 1.00 0.00 C ATOM 191 NZ LYS A 29 -2.427 9.826 -8.596 1.00 0.00 N ATOM 0 H LYS A 29 -1.456 7.312 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.841 8.798 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.734 9.207 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.157 9.418 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.474 7.184 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.046 6.990 -5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.051 9.192 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.304 7.741 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.681 8.414 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.409 9.873 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.220 10.286 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.723 10.543 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.986 9.129 -9.229 1.00 0.00 H new ATOM 205 N PHE A 30 -4.134 5.727 -3.597 1.00 0.00 N ATOM 206 CA PHE A 30 -5.116 4.677 -3.788 1.00 0.00 C ATOM 207 C PHE A 30 -5.915 4.429 -2.539 1.00 0.00 C ATOM 208 O PHE A 30 -7.128 4.356 -2.602 1.00 0.00 O ATOM 209 CB PHE A 30 -4.507 3.384 -4.297 1.00 0.00 C ATOM 210 CG PHE A 30 -4.429 3.315 -5.797 1.00 0.00 C ATOM 211 CD1 PHE A 30 -3.409 3.934 -6.492 1.00 0.00 C ATOM 212 CD2 PHE A 30 -5.402 2.634 -6.510 1.00 0.00 C ATOM 213 CE1 PHE A 30 -3.355 3.880 -7.867 1.00 0.00 C ATOM 214 CE2 PHE A 30 -5.355 2.572 -7.888 1.00 0.00 C ATOM 215 CZ PHE A 30 -4.329 3.198 -8.568 1.00 0.00 C ATOM 0 H PHE A 30 -3.162 5.423 -3.657 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.792 5.039 -4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.505 3.274 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.097 2.544 -3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.643 4.468 -5.950 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.207 2.146 -5.981 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.552 4.371 -8.396 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.118 2.036 -8.433 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.289 3.154 -9.646 1.00 0.00 H new ATOM 225 N LEU A 31 -5.239 4.345 -1.401 1.00 0.00 N ATOM 226 CA LEU A 31 -5.906 4.115 -0.128 1.00 0.00 C ATOM 227 C LEU A 31 -6.925 5.196 0.153 1.00 0.00 C ATOM 228 O LEU A 31 -8.072 4.898 0.507 1.00 0.00 O ATOM 229 CB LEU A 31 -4.908 4.016 1.037 1.00 0.00 C ATOM 230 CG LEU A 31 -3.928 2.839 1.006 1.00 0.00 C ATOM 231 CD1 LEU A 31 -3.013 2.877 2.217 1.00 0.00 C ATOM 232 CD2 LEU A 31 -4.672 1.513 0.943 1.00 0.00 C ATOM 0 H LEU A 31 -4.225 4.433 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.420 3.157 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.330 4.939 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.475 3.962 1.967 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.319 2.929 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.323 2.034 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.447 3.809 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.611 2.816 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.954 0.693 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.312 1.413 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.284 1.482 0.042 1.00 0.00 H new ATOM 244 N LEU A 32 -6.543 6.447 -0.052 1.00 0.00 N ATOM 245 CA LEU A 32 -7.460 7.537 0.200 1.00 0.00 C ATOM 246 C LEU A 32 -8.627 7.523 -0.788 1.00 0.00 C ATOM 247 O LEU A 32 -9.773 7.805 -0.415 1.00 0.00 O ATOM 248 CB LEU A 32 -6.746 8.919 0.314 1.00 0.00 C ATOM 249 CG LEU A 32 -6.008 9.478 -0.920 1.00 0.00 C ATOM 250 CD1 LEU A 32 -6.959 10.135 -1.920 1.00 0.00 C ATOM 251 CD2 LEU A 32 -4.913 10.443 -0.501 1.00 0.00 C ATOM 0 H LEU A 32 -5.620 6.726 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.894 7.374 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.494 9.654 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.024 8.851 1.128 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.550 8.630 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.390 10.512 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.686 9.401 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.480 10.962 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.406 10.825 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.352 11.273 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.194 9.924 0.133 1.00 0.00 H new ATOM 263 N HIS A 33 -8.355 7.139 -2.034 1.00 0.00 N ATOM 264 CA HIS A 33 -9.413 7.061 -3.016 1.00 0.00 C ATOM 265 C HIS A 33 -10.367 5.931 -2.648 1.00 0.00 C ATOM 266 O HIS A 33 -11.561 6.117 -2.650 1.00 0.00 O ATOM 267 CB HIS A 33 -8.888 6.896 -4.465 1.00 0.00 C ATOM 268 CG HIS A 33 -9.989 7.017 -5.499 1.00 0.00 C ATOM 269 ND1 HIS A 33 -10.291 8.191 -6.137 1.00 0.00 N ATOM 270 CD2 HIS A 33 -10.910 6.129 -5.914 1.00 0.00 C ATOM 271 CE1 HIS A 33 -11.361 8.020 -6.887 1.00 0.00 C ATOM 272 NE2 HIS A 33 -11.760 6.777 -6.765 1.00 0.00 N ATOM 0 H HIS A 33 -7.428 6.884 -2.374 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.945 8.012 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.126 7.651 -4.660 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.406 5.924 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.967 5.090 -5.626 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.830 8.776 -7.499 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.569 6.363 -7.228 1.00 0.00 H new ATOM 281 N ILE A 34 -9.818 4.788 -2.286 1.00 0.00 N ATOM 282 CA ILE A 34 -10.601 3.613 -1.920 1.00 0.00 C ATOM 283 C ILE A 34 -11.450 3.873 -0.668 1.00 0.00 C ATOM 284 O ILE A 34 -12.590 3.443 -0.588 1.00 0.00 O ATOM 285 CB ILE A 34 -9.692 2.351 -1.775 1.00 0.00 C ATOM 286 CG1 ILE A 34 -9.113 1.990 -3.162 1.00 0.00 C ATOM 287 CG2 ILE A 34 -10.442 1.162 -1.155 1.00 0.00 C ATOM 288 CD1 ILE A 34 -8.167 0.813 -3.171 1.00 0.00 C ATOM 0 H ILE A 34 -8.810 4.643 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.299 3.407 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.878 2.584 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.940 1.778 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.590 2.860 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.768 0.309 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.801 1.436 -0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.290 0.897 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.814 0.638 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.316 1.025 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.687 -0.074 -2.809 1.00 0.00 H new ATOM 300 N THR A 35 -10.915 4.628 0.270 1.00 0.00 N ATOM 301 CA THR A 35 -11.674 5.007 1.454 1.00 0.00 C ATOM 302 C THR A 35 -12.864 5.900 1.029 1.00 0.00 C ATOM 303 O THR A 35 -13.992 5.754 1.524 1.00 0.00 O ATOM 304 CB THR A 35 -10.781 5.761 2.438 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.586 4.994 2.676 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.492 5.988 3.762 1.00 0.00 C ATOM 0 H THR A 35 -9.963 4.992 0.240 1.00 0.00 H new ATOM 0 HA THR A 35 -12.047 4.109 1.946 1.00 0.00 H new ATOM 0 HB THR A 35 -10.535 6.730 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.910 5.225 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.832 6.527 4.442 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.396 6.574 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.759 5.027 4.201 1.00 0.00 H new ATOM 314 N HIS A 36 -12.608 6.784 0.071 1.00 0.00 N ATOM 315 CA HIS A 36 -13.652 7.631 -0.495 1.00 0.00 C ATOM 316 C HIS A 36 -14.652 6.792 -1.283 1.00 0.00 C ATOM 317 O HIS A 36 -15.818 7.118 -1.352 1.00 0.00 O ATOM 318 CB HIS A 36 -13.079 8.775 -1.340 1.00 0.00 C ATOM 319 CG HIS A 36 -12.384 9.829 -0.532 1.00 0.00 C ATOM 320 ND1 HIS A 36 -11.249 10.485 -0.944 1.00 0.00 N ATOM 321 CD2 HIS A 36 -12.715 10.377 0.651 1.00 0.00 C ATOM 322 CE1 HIS A 36 -10.917 11.392 -0.048 1.00 0.00 C ATOM 323 NE2 HIS A 36 -11.796 11.347 0.932 1.00 0.00 N ATOM 0 H HIS A 36 -11.683 6.933 -0.331 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.181 8.100 0.334 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.377 8.363 -2.065 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.888 9.237 -1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -13.557 10.099 1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.069 12.058 -0.107 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.791 11.939 1.763 1.00 0.00 H new ATOM 332 N GLU A 37 -14.173 5.712 -1.874 1.00 0.00 N ATOM 333 CA GLU A 37 -15.025 4.734 -2.547 1.00 0.00 C ATOM 334 C GLU A 37 -15.945 4.037 -1.537 1.00 0.00 C ATOM 335 O GLU A 37 -17.045 3.620 -1.875 1.00 0.00 O ATOM 336 CB GLU A 37 -14.214 3.708 -3.322 1.00 0.00 C ATOM 337 CG GLU A 37 -13.389 4.271 -4.457 1.00 0.00 C ATOM 338 CD GLU A 37 -14.216 4.915 -5.544 1.00 0.00 C ATOM 339 OE1 GLU A 37 -14.816 4.187 -6.350 1.00 0.00 O ATOM 340 OE2 GLU A 37 -14.200 6.156 -5.667 1.00 0.00 O ATOM 0 H GLU A 37 -13.179 5.483 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.636 5.278 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.548 3.194 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.895 2.958 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.692 5.008 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.792 3.470 -4.893 1.00 0.00 H new ATOM 347 N VAL A 38 -15.472 3.878 -0.306 1.00 0.00 N ATOM 348 CA VAL A 38 -16.278 3.359 0.760 1.00 0.00 C ATOM 349 C VAL A 38 -17.392 4.371 1.049 1.00 0.00 C ATOM 350 O VAL A 38 -18.541 4.017 1.305 1.00 0.00 O ATOM 351 CB VAL A 38 -15.463 3.030 2.050 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.356 2.333 3.071 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.292 2.119 1.724 1.00 0.00 C ATOM 0 H VAL A 38 -14.517 4.109 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.698 2.405 0.441 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.090 3.968 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.777 2.108 3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.189 2.986 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.741 1.406 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.736 1.901 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.663 1.189 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.635 2.613 1.008 1.00 0.00 H new ATOM 363 N ASP A 39 -17.057 5.633 0.966 1.00 0.00 N ATOM 364 CA ASP A 39 -18.067 6.671 1.091 1.00 0.00 C ATOM 365 C ASP A 39 -19.010 6.644 -0.123 1.00 0.00 C ATOM 366 O ASP A 39 -20.244 6.855 -0.006 1.00 0.00 O ATOM 367 CB ASP A 39 -17.463 8.070 1.283 1.00 0.00 C ATOM 368 CG ASP A 39 -16.777 8.244 2.616 1.00 0.00 C ATOM 369 OD1 ASP A 39 -17.462 8.255 3.637 1.00 0.00 O ATOM 370 OD2 ASP A 39 -15.539 8.410 2.667 1.00 0.00 O ATOM 0 H ASP A 39 -16.107 5.972 0.814 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.638 6.455 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.746 8.262 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.252 8.816 1.188 1.00 0.00 H new ATOM 375 N ASP A 40 -18.435 6.324 -1.278 1.00 0.00 N ATOM 376 CA ASP A 40 -19.161 6.216 -2.523 1.00 0.00 C ATOM 377 C ASP A 40 -20.181 5.125 -2.377 1.00 0.00 C ATOM 378 O ASP A 40 -21.311 5.309 -2.694 1.00 0.00 O ATOM 379 CB ASP A 40 -18.211 5.894 -3.695 1.00 0.00 C ATOM 380 CG ASP A 40 -18.848 6.014 -5.076 1.00 0.00 C ATOM 381 OD1 ASP A 40 -19.769 5.246 -5.415 1.00 0.00 O ATOM 382 OD2 ASP A 40 -18.443 6.905 -5.843 1.00 0.00 O ATOM 0 H ASP A 40 -17.438 6.131 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.645 7.167 -2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.353 6.564 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.831 4.880 -3.571 1.00 0.00 H new ATOM 387 N LEU A 41 -19.784 4.025 -1.764 1.00 0.00 N ATOM 388 CA LEU A 41 -20.663 2.904 -1.562 1.00 0.00 C ATOM 389 C LEU A 41 -21.738 3.243 -0.582 1.00 0.00 C ATOM 390 O LEU A 41 -22.844 2.780 -0.686 1.00 0.00 O ATOM 391 CB LEU A 41 -19.925 1.590 -1.259 1.00 0.00 C ATOM 392 CG LEU A 41 -19.044 1.489 -0.050 1.00 0.00 C ATOM 393 CD1 LEU A 41 -19.809 0.967 1.161 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.834 0.642 -0.366 1.00 0.00 C ATOM 0 H LEU A 41 -18.843 3.890 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.158 2.702 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.678 0.806 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.311 1.354 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.699 2.489 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.138 0.907 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.632 1.644 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -20.206 -0.024 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.198 0.573 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.156 -0.357 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.274 1.098 -1.182 1.00 0.00 H new ATOM 406 N GLU A 42 -21.412 4.056 0.370 1.00 0.00 N ATOM 407 CA GLU A 42 -22.388 4.535 1.301 1.00 0.00 C ATOM 408 C GLU A 42 -23.465 5.409 0.574 1.00 0.00 C ATOM 409 O GLU A 42 -24.599 5.521 1.026 1.00 0.00 O ATOM 410 CB GLU A 42 -21.698 5.274 2.452 1.00 0.00 C ATOM 411 CG GLU A 42 -22.631 5.824 3.513 1.00 0.00 C ATOM 412 CD GLU A 42 -23.555 4.778 4.099 1.00 0.00 C ATOM 413 OE1 GLU A 42 -23.066 3.801 4.696 1.00 0.00 O ATOM 414 OE2 GLU A 42 -24.787 4.923 3.982 1.00 0.00 O ATOM 0 H GLU A 42 -20.467 4.407 0.526 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.921 3.689 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.992 4.594 2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.117 6.098 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -22.038 6.265 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -23.229 6.626 3.080 1.00 0.00 H new ATOM 421 N LYS A 43 -23.116 5.999 -0.566 1.00 0.00 N ATOM 422 CA LYS A 43 -24.097 6.793 -1.311 1.00 0.00 C ATOM 423 C LYS A 43 -24.632 6.060 -2.565 1.00 0.00 C ATOM 424 O LYS A 43 -25.643 6.457 -3.155 1.00 0.00 O ATOM 425 CB LYS A 43 -23.592 8.250 -1.584 1.00 0.00 C ATOM 426 CG LYS A 43 -22.292 8.409 -2.391 1.00 0.00 C ATOM 427 CD LYS A 43 -22.528 8.353 -3.897 1.00 0.00 C ATOM 428 CE LYS A 43 -21.219 8.448 -4.690 1.00 0.00 C ATOM 429 NZ LYS A 43 -20.428 9.673 -4.393 1.00 0.00 N ATOM 0 H LYS A 43 -22.189 5.948 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.970 6.908 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.382 8.788 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.454 8.744 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -21.823 9.359 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -21.593 7.622 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -23.037 7.423 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.189 9.168 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.609 7.571 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.447 8.423 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.611 9.723 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.026 10.513 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.094 9.640 -3.409 1.00 0.00 H new ATOM 443 N THR A 44 -23.979 4.984 -2.923 1.00 0.00 N ATOM 444 CA THR A 44 -24.253 4.235 -4.109 1.00 0.00 C ATOM 445 C THR A 44 -24.882 2.865 -3.773 1.00 0.00 C ATOM 446 O THR A 44 -25.848 2.424 -4.406 1.00 0.00 O ATOM 447 CB THR A 44 -22.902 4.057 -4.839 1.00 0.00 C ATOM 448 OG1 THR A 44 -22.421 5.312 -5.336 1.00 0.00 O ATOM 449 CG2 THR A 44 -22.942 3.060 -5.931 1.00 0.00 C ATOM 0 H THR A 44 -23.214 4.596 -2.371 1.00 0.00 H new ATOM 0 HA THR A 44 -24.973 4.758 -4.738 1.00 0.00 H new ATOM 0 HB THR A 44 -22.211 3.670 -4.090 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.484 5.219 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.959 2.990 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 44 -23.222 2.088 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.675 3.367 -6.677 1.00 0.00 H new ATOM 457 N GLY A 45 -24.369 2.252 -2.759 1.00 0.00 N ATOM 458 CA GLY A 45 -24.765 0.939 -2.373 1.00 0.00 C ATOM 459 C GLY A 45 -23.566 0.040 -2.390 1.00 0.00 C ATOM 460 O GLY A 45 -22.954 -0.224 -1.347 1.00 0.00 O ATOM 0 H GLY A 45 -23.648 2.658 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -25.207 0.957 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -25.528 0.561 -3.054 1.00 0.00 H new ATOM 464 N ASN A 46 -23.209 -0.378 -3.598 1.00 0.00 N ATOM 465 CA ASN A 46 -22.035 -1.221 -3.877 1.00 0.00 C ATOM 466 C ASN A 46 -21.994 -2.433 -2.993 1.00 0.00 C ATOM 467 O ASN A 46 -20.956 -2.763 -2.443 1.00 0.00 O ATOM 468 CB ASN A 46 -20.747 -0.415 -3.743 1.00 0.00 C ATOM 469 CG ASN A 46 -20.544 0.637 -4.825 1.00 0.00 C ATOM 470 OD1 ASN A 46 -19.940 1.671 -4.575 1.00 0.00 O ATOM 471 ND2 ASN A 46 -21.017 0.389 -6.033 1.00 0.00 N ATOM 0 H ASN A 46 -23.736 -0.138 -4.438 1.00 0.00 H new ATOM 0 HA ASN A 46 -22.123 -1.570 -4.906 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -20.741 0.077 -2.770 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -19.901 -1.102 -3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.882 1.067 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -21.517 -0.481 -6.216 1.00 0.00 H new ATOM 478 N LYS A 47 -23.110 -3.133 -2.914 1.00 0.00 N ATOM 479 CA LYS A 47 -23.230 -4.271 -2.034 1.00 0.00 C ATOM 480 C LYS A 47 -22.234 -5.377 -2.416 1.00 0.00 C ATOM 481 O LYS A 47 -21.694 -6.066 -1.551 1.00 0.00 O ATOM 482 CB LYS A 47 -24.661 -4.812 -2.010 1.00 0.00 C ATOM 483 CG LYS A 47 -24.904 -5.829 -0.908 1.00 0.00 C ATOM 484 CD LYS A 47 -26.333 -6.327 -0.899 1.00 0.00 C ATOM 485 CE LYS A 47 -26.565 -7.254 0.279 1.00 0.00 C ATOM 486 NZ LYS A 47 -27.923 -7.825 0.278 1.00 0.00 N ATOM 0 H LYS A 47 -23.950 -2.928 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 47 -22.986 -3.931 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -25.354 -3.980 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -24.884 -5.271 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -24.227 -6.673 -1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -24.671 -5.380 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -27.019 -5.481 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -26.547 -6.852 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -25.833 -8.061 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -26.403 -6.706 1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -28.037 -8.452 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -28.623 -7.057 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -28.070 -8.370 -0.596 1.00 0.00 H new ATOM 500 N ASP A 48 -21.991 -5.535 -3.702 1.00 0.00 N ATOM 501 CA ASP A 48 -21.015 -6.525 -4.190 1.00 0.00 C ATOM 502 C ASP A 48 -19.763 -5.818 -4.694 1.00 0.00 C ATOM 503 O ASP A 48 -18.663 -6.385 -4.713 1.00 0.00 O ATOM 504 CB ASP A 48 -21.588 -7.404 -5.320 1.00 0.00 C ATOM 505 CG ASP A 48 -21.771 -6.672 -6.643 1.00 0.00 C ATOM 506 OD1 ASP A 48 -22.838 -6.077 -6.863 1.00 0.00 O ATOM 507 OD2 ASP A 48 -20.842 -6.696 -7.497 1.00 0.00 O ATOM 0 H ASP A 48 -22.449 -4.997 -4.438 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.771 -7.175 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -20.925 -8.255 -5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.551 -7.804 -5.002 1.00 0.00 H new ATOM 512 N GLU A 49 -19.946 -4.581 -5.098 1.00 0.00 N ATOM 513 CA GLU A 49 -18.898 -3.740 -5.631 1.00 0.00 C ATOM 514 C GLU A 49 -17.907 -3.402 -4.556 1.00 0.00 C ATOM 515 O GLU A 49 -16.745 -3.286 -4.833 1.00 0.00 O ATOM 516 CB GLU A 49 -19.509 -2.494 -6.206 1.00 0.00 C ATOM 517 CG GLU A 49 -18.615 -1.706 -7.108 1.00 0.00 C ATOM 518 CD GLU A 49 -18.513 -2.353 -8.441 1.00 0.00 C ATOM 519 OE1 GLU A 49 -19.394 -2.115 -9.280 1.00 0.00 O ATOM 520 OE2 GLU A 49 -17.583 -3.135 -8.672 1.00 0.00 O ATOM 0 H GLU A 49 -20.855 -4.119 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 49 -18.368 -4.272 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -20.406 -2.771 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -19.827 -1.852 -5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -19.003 -0.693 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.624 -1.621 -6.662 1.00 0.00 H new ATOM 527 N LYS A 50 -18.375 -3.225 -3.338 1.00 0.00 N ATOM 528 CA LYS A 50 -17.489 -2.953 -2.211 1.00 0.00 C ATOM 529 C LYS A 50 -16.420 -4.039 -2.073 1.00 0.00 C ATOM 530 O LYS A 50 -15.245 -3.750 -1.959 1.00 0.00 O ATOM 531 CB LYS A 50 -18.309 -2.880 -0.946 1.00 0.00 C ATOM 532 CG LYS A 50 -17.487 -2.756 0.304 1.00 0.00 C ATOM 533 CD LYS A 50 -18.322 -2.284 1.457 1.00 0.00 C ATOM 534 CE LYS A 50 -19.417 -3.261 1.858 1.00 0.00 C ATOM 535 NZ LYS A 50 -18.865 -4.550 2.302 1.00 0.00 N ATOM 0 H LYS A 50 -19.365 -3.264 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.983 -2.004 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.985 -2.027 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.929 -3.773 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.040 -3.720 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.667 -2.058 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.674 -2.106 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.777 -1.328 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.016 -2.827 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.086 -3.424 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.622 -5.125 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.461 -5.054 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.121 -4.384 3.010 1.00 0.00 H new ATOM 549 N ALA A 51 -16.852 -5.259 -2.089 1.00 0.00 N ATOM 550 CA ALA A 51 -15.933 -6.419 -2.108 1.00 0.00 C ATOM 551 C ALA A 51 -14.994 -6.395 -3.337 1.00 0.00 C ATOM 552 O ALA A 51 -13.803 -6.711 -3.228 1.00 0.00 O ATOM 553 CB ALA A 51 -16.705 -7.718 -2.070 1.00 0.00 C ATOM 0 H ALA A 51 -17.841 -5.509 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.313 -6.348 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.008 -8.556 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.303 -7.759 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.361 -7.777 -2.938 1.00 0.00 H new ATOM 559 N ARG A 52 -15.520 -5.993 -4.486 1.00 0.00 N ATOM 560 CA ARG A 52 -14.702 -5.881 -5.701 1.00 0.00 C ATOM 561 C ARG A 52 -13.683 -4.756 -5.527 1.00 0.00 C ATOM 562 O ARG A 52 -12.518 -4.882 -5.910 1.00 0.00 O ATOM 563 CB ARG A 52 -15.578 -5.652 -6.937 1.00 0.00 C ATOM 564 CG ARG A 52 -14.807 -5.540 -8.253 1.00 0.00 C ATOM 565 CD ARG A 52 -15.756 -5.423 -9.437 1.00 0.00 C ATOM 566 NE ARG A 52 -16.548 -6.646 -9.636 1.00 0.00 N ATOM 567 CZ ARG A 52 -17.860 -6.789 -9.367 1.00 0.00 C ATOM 568 NH1 ARG A 52 -18.571 -5.769 -8.873 1.00 0.00 N ATOM 569 NH2 ARG A 52 -18.455 -7.955 -9.616 1.00 0.00 N ATOM 0 H ARG A 52 -16.500 -5.739 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.168 -6.818 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.291 -6.473 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.157 -4.740 -6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.152 -4.669 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.169 -6.415 -8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.427 -4.579 -9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.183 -5.212 -10.340 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.060 -7.459 -10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.120 -4.871 -8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.564 -5.889 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.917 -8.729 -10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.448 -8.074 -9.416 1.00 0.00 H new ATOM 583 N LEU A 53 -14.125 -3.677 -4.920 1.00 0.00 N ATOM 584 CA LEU A 53 -13.278 -2.578 -4.553 1.00 0.00 C ATOM 585 C LEU A 53 -12.165 -3.056 -3.588 1.00 0.00 C ATOM 586 O LEU A 53 -11.020 -2.611 -3.655 1.00 0.00 O ATOM 587 CB LEU A 53 -14.138 -1.516 -3.888 1.00 0.00 C ATOM 588 CG LEU A 53 -13.380 -0.443 -3.188 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.643 0.463 -4.174 1.00 0.00 C ATOM 590 CD2 LEU A 53 -14.252 0.327 -2.217 1.00 0.00 C ATOM 0 H LEU A 53 -15.103 -3.542 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.797 -2.165 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.773 -1.057 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.799 -2.002 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.613 -0.927 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.102 1.234 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.938 -0.130 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.363 0.933 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.658 1.100 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.077 0.791 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.649 -0.355 -1.465 1.00 0.00 H new ATOM 602 N LEU A 54 -12.509 -3.973 -2.717 1.00 0.00 N ATOM 603 CA LEU A 54 -11.551 -4.566 -1.814 1.00 0.00 C ATOM 604 C LEU A 54 -10.505 -5.356 -2.582 1.00 0.00 C ATOM 605 O LEU A 54 -9.348 -5.398 -2.203 1.00 0.00 O ATOM 606 CB LEU A 54 -12.235 -5.394 -0.734 1.00 0.00 C ATOM 607 CG LEU A 54 -13.143 -4.586 0.193 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.822 -5.471 1.203 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.351 -3.502 0.892 1.00 0.00 C ATOM 0 H LEU A 54 -13.459 -4.329 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.029 -3.762 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.825 -6.177 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.472 -5.891 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.916 -4.121 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.460 -4.866 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.429 -6.214 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.069 -5.975 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.011 -2.935 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.555 -3.956 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.916 -2.833 0.149 1.00 0.00 H new ATOM 621 N ARG A 55 -10.912 -5.952 -3.677 1.00 0.00 N ATOM 622 CA ARG A 55 -9.976 -6.668 -4.536 1.00 0.00 C ATOM 623 C ARG A 55 -9.050 -5.672 -5.227 1.00 0.00 C ATOM 624 O ARG A 55 -7.893 -5.984 -5.561 1.00 0.00 O ATOM 625 CB ARG A 55 -10.688 -7.545 -5.567 1.00 0.00 C ATOM 626 CG ARG A 55 -11.520 -8.677 -4.973 1.00 0.00 C ATOM 627 CD ARG A 55 -10.690 -9.566 -4.044 1.00 0.00 C ATOM 628 NE ARG A 55 -9.488 -10.115 -4.704 1.00 0.00 N ATOM 629 CZ ARG A 55 -8.492 -10.766 -4.082 1.00 0.00 C ATOM 630 NH1 ARG A 55 -8.550 -10.990 -2.772 1.00 0.00 N ATOM 631 NH2 ARG A 55 -7.438 -11.182 -4.778 1.00 0.00 N ATOM 0 H ARG A 55 -11.879 -5.960 -4.001 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.390 -7.336 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.338 -6.914 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.942 -7.973 -6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.361 -8.258 -4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.937 -9.282 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.388 -8.989 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.310 -10.388 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.408 -9.989 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.354 -10.667 -2.234 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.790 -11.485 -2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.388 -11.006 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.680 -11.677 -4.308 1.00 0.00 H new ATOM 645 N GLU A 56 -9.548 -4.474 -5.420 1.00 0.00 N ATOM 646 CA GLU A 56 -8.767 -3.415 -5.977 1.00 0.00 C ATOM 647 C GLU A 56 -7.692 -2.953 -4.971 1.00 0.00 C ATOM 648 O GLU A 56 -6.579 -2.606 -5.356 1.00 0.00 O ATOM 649 CB GLU A 56 -9.665 -2.277 -6.445 1.00 0.00 C ATOM 650 CG GLU A 56 -8.920 -1.148 -7.091 1.00 0.00 C ATOM 651 CD GLU A 56 -9.834 -0.153 -7.729 1.00 0.00 C ATOM 652 OE1 GLU A 56 -10.287 0.772 -7.056 1.00 0.00 O ATOM 653 OE2 GLU A 56 -10.109 -0.289 -8.946 1.00 0.00 O ATOM 0 H GLU A 56 -10.508 -4.214 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.240 -3.781 -6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.396 -2.670 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.223 -1.891 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.307 -0.646 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.241 -1.548 -7.844 1.00 0.00 H new ATOM 660 N LEU A 57 -7.991 -3.001 -3.677 1.00 0.00 N ATOM 661 CA LEU A 57 -6.954 -2.694 -2.712 1.00 0.00 C ATOM 662 C LEU A 57 -5.930 -3.813 -2.688 1.00 0.00 C ATOM 663 O LEU A 57 -4.758 -3.589 -2.440 1.00 0.00 O ATOM 664 CB LEU A 57 -7.454 -2.222 -1.307 1.00 0.00 C ATOM 665 CG LEU A 57 -8.311 -3.149 -0.440 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.502 -4.283 0.148 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.975 -2.356 0.660 1.00 0.00 C ATOM 0 H LEU A 57 -8.903 -3.239 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.452 -1.791 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.572 -1.958 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.023 -1.305 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.073 -3.592 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.150 -4.915 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.068 -4.876 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.705 -3.877 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.583 -3.022 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.212 -1.887 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.610 -1.586 0.221 1.00 0.00 H new ATOM 679 N THR A 58 -6.392 -5.015 -2.977 1.00 0.00 N ATOM 680 CA THR A 58 -5.542 -6.161 -3.119 1.00 0.00 C ATOM 681 C THR A 58 -4.528 -5.955 -4.290 1.00 0.00 C ATOM 682 O THR A 58 -3.370 -6.401 -4.225 1.00 0.00 O ATOM 683 CB THR A 58 -6.376 -7.440 -3.330 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.375 -7.523 -2.295 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.496 -8.675 -3.267 1.00 0.00 C ATOM 0 H THR A 58 -7.382 -5.216 -3.120 1.00 0.00 H new ATOM 0 HA THR A 58 -4.974 -6.280 -2.196 1.00 0.00 H new ATOM 0 HB THR A 58 -6.845 -7.394 -4.313 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.027 -6.800 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.107 -9.565 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.735 -8.620 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.013 -8.728 -2.291 1.00 0.00 H new ATOM 693 N VAL A 59 -4.943 -5.283 -5.354 1.00 0.00 N ATOM 694 CA VAL A 59 -3.985 -5.010 -6.414 1.00 0.00 C ATOM 695 C VAL A 59 -2.966 -3.938 -5.953 1.00 0.00 C ATOM 696 O VAL A 59 -1.766 -4.081 -6.180 1.00 0.00 O ATOM 697 CB VAL A 59 -4.606 -4.702 -7.831 1.00 0.00 C ATOM 698 CG1 VAL A 59 -5.311 -3.366 -7.918 1.00 0.00 C ATOM 699 CG2 VAL A 59 -3.557 -4.824 -8.917 1.00 0.00 C ATOM 0 H VAL A 59 -5.889 -4.932 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.456 -5.948 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.377 -5.457 -7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.710 -3.230 -8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.128 -3.338 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.604 -2.566 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.009 -4.607 -9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.751 -4.115 -8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.155 -5.837 -8.923 1.00 0.00 H new ATOM 709 N SER A 60 -3.432 -2.906 -5.219 1.00 0.00 N ATOM 710 CA SER A 60 -2.516 -1.897 -4.648 1.00 0.00 C ATOM 711 C SER A 60 -1.549 -2.541 -3.660 1.00 0.00 C ATOM 712 O SER A 60 -0.380 -2.141 -3.499 1.00 0.00 O ATOM 713 CB SER A 60 -3.272 -0.683 -4.070 1.00 0.00 C ATOM 714 OG SER A 60 -4.326 -1.072 -3.215 1.00 0.00 O ATOM 0 H SER A 60 -4.418 -2.751 -5.011 1.00 0.00 H new ATOM 0 HA SER A 60 -1.910 -1.492 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.575 -0.050 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.671 -0.082 -4.887 1.00 0.00 H new ATOM 0 HG SER A 60 -4.165 -1.983 -2.891 1.00 0.00 H new ATOM 720 N GLU A 61 -2.050 -3.577 -3.082 1.00 0.00 N ATOM 721 CA GLU A 61 -1.358 -4.390 -2.100 1.00 0.00 C ATOM 722 C GLU A 61 -0.183 -5.080 -2.794 1.00 0.00 C ATOM 723 O GLU A 61 0.919 -5.216 -2.240 1.00 0.00 O ATOM 724 CB GLU A 61 -2.322 -5.452 -1.575 1.00 0.00 C ATOM 725 CG GLU A 61 -1.779 -6.296 -0.473 1.00 0.00 C ATOM 726 CD GLU A 61 -2.553 -7.565 -0.271 1.00 0.00 C ATOM 727 OE1 GLU A 61 -3.533 -7.568 0.476 1.00 0.00 O ATOM 728 OE2 GLU A 61 -2.156 -8.609 -0.846 1.00 0.00 O ATOM 0 H GLU A 61 -2.994 -3.909 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.001 -3.775 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.228 -4.959 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.612 -6.100 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.739 -6.542 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.785 -5.722 0.454 1.00 0.00 H new ATOM 735 N ALA A 62 -0.438 -5.511 -4.018 1.00 0.00 N ATOM 736 CA ALA A 62 0.564 -6.147 -4.836 1.00 0.00 C ATOM 737 C ALA A 62 1.675 -5.170 -5.193 1.00 0.00 C ATOM 738 O ALA A 62 2.842 -5.552 -5.222 1.00 0.00 O ATOM 739 CB ALA A 62 -0.054 -6.754 -6.086 1.00 0.00 C ATOM 0 H ALA A 62 -1.350 -5.426 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 62 1.005 -6.958 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.725 -7.227 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.795 -7.500 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.535 -5.970 -6.671 1.00 0.00 H new ATOM 745 N PHE A 63 1.320 -3.896 -5.435 1.00 0.00 N ATOM 746 CA PHE A 63 2.359 -2.881 -5.766 1.00 0.00 C ATOM 747 C PHE A 63 3.320 -2.741 -4.590 1.00 0.00 C ATOM 748 O PHE A 63 4.537 -2.654 -4.784 1.00 0.00 O ATOM 749 CB PHE A 63 1.792 -1.485 -6.100 1.00 0.00 C ATOM 750 CG PHE A 63 0.551 -1.467 -6.927 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.307 -2.429 -7.887 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.413 -0.523 -6.671 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.874 -2.439 -8.570 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.605 -0.544 -7.332 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.835 -1.498 -8.275 1.00 0.00 C ATOM 0 H PHE A 63 0.363 -3.545 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 63 2.861 -3.245 -6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.590 -0.963 -5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.562 -0.917 -6.622 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.056 -3.178 -8.099 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.224 0.246 -5.936 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.054 -3.179 -9.336 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.363 0.192 -7.109 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.780 -1.517 -8.797 1.00 0.00 H new ATOM 765 N ILE A 64 2.764 -2.731 -3.363 1.00 0.00 N ATOM 766 CA ILE A 64 3.585 -2.699 -2.142 1.00 0.00 C ATOM 767 C ILE A 64 4.530 -3.881 -2.108 1.00 0.00 C ATOM 768 O ILE A 64 5.731 -3.713 -1.924 1.00 0.00 O ATOM 769 CB ILE A 64 2.729 -2.671 -0.812 1.00 0.00 C ATOM 770 CG1 ILE A 64 2.214 -1.265 -0.498 1.00 0.00 C ATOM 771 CG2 ILE A 64 3.503 -3.227 0.399 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.313 -0.271 -0.144 1.00 0.00 C ATOM 0 H ILE A 64 1.758 -2.745 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 64 4.149 -1.767 -2.182 1.00 0.00 H new ATOM 0 HB ILE A 64 1.875 -3.324 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.662 -0.890 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.509 -1.323 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.870 -3.185 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.788 -4.261 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.399 -2.629 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.870 0.702 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.851 -0.622 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.006 -0.181 -0.981 1.00 0.00 H new ATOM 784 N GLU A 65 3.993 -5.054 -2.336 1.00 0.00 N ATOM 785 CA GLU A 65 4.749 -6.258 -2.227 1.00 0.00 C ATOM 786 C GLU A 65 5.856 -6.340 -3.288 1.00 0.00 C ATOM 787 O GLU A 65 6.992 -6.738 -2.982 1.00 0.00 O ATOM 788 CB GLU A 65 3.828 -7.459 -2.284 1.00 0.00 C ATOM 789 CG GLU A 65 4.507 -8.721 -1.860 1.00 0.00 C ATOM 790 CD GLU A 65 5.007 -8.627 -0.439 1.00 0.00 C ATOM 791 OE1 GLU A 65 6.058 -7.999 -0.192 1.00 0.00 O ATOM 792 OE2 GLU A 65 4.330 -9.133 0.470 1.00 0.00 O ATOM 0 H GLU A 65 3.018 -5.192 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 65 5.251 -6.256 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.965 -7.282 -1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.452 -7.576 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.813 -9.557 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.343 -8.929 -2.528 1.00 0.00 H new ATOM 799 N GLY A 66 5.541 -5.930 -4.507 1.00 0.00 N ATOM 800 CA GLY A 66 6.536 -5.911 -5.567 1.00 0.00 C ATOM 801 C GLY A 66 7.651 -4.938 -5.242 1.00 0.00 C ATOM 802 O GLY A 66 8.843 -5.226 -5.447 1.00 0.00 O ATOM 0 H GLY A 66 4.614 -5.609 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.948 -6.911 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.065 -5.630 -6.509 1.00 0.00 H new ATOM 806 N SER A 67 7.265 -3.816 -4.662 1.00 0.00 N ATOM 807 CA SER A 67 8.193 -2.796 -4.276 1.00 0.00 C ATOM 808 C SER A 67 9.043 -3.272 -3.107 1.00 0.00 C ATOM 809 O SER A 67 10.205 -2.902 -2.984 1.00 0.00 O ATOM 810 CB SER A 67 7.457 -1.511 -3.942 1.00 0.00 C ATOM 811 OG SER A 67 6.693 -1.061 -5.063 1.00 0.00 O ATOM 0 H SER A 67 6.292 -3.596 -4.449 1.00 0.00 H new ATOM 0 HA SER A 67 8.861 -2.588 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.799 -1.674 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.172 -0.742 -3.650 1.00 0.00 H new ATOM 0 HG SER A 67 5.801 -1.465 -5.034 1.00 0.00 H new ATOM 817 N ARG A 68 8.471 -4.114 -2.255 1.00 0.00 N ATOM 818 CA ARG A 68 9.234 -4.659 -1.157 1.00 0.00 C ATOM 819 C ARG A 68 10.302 -5.581 -1.667 1.00 0.00 C ATOM 820 O ARG A 68 11.435 -5.564 -1.181 1.00 0.00 O ATOM 821 CB ARG A 68 8.389 -5.302 -0.036 1.00 0.00 C ATOM 822 CG ARG A 68 7.450 -4.335 0.670 1.00 0.00 C ATOM 823 CD ARG A 68 6.894 -4.895 1.983 1.00 0.00 C ATOM 824 NE ARG A 68 6.016 -6.079 1.840 1.00 0.00 N ATOM 825 CZ ARG A 68 5.143 -6.480 2.792 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.123 -5.862 3.978 1.00 0.00 N ATOM 827 NH2 ARG A 68 4.349 -7.513 2.580 1.00 0.00 N ATOM 0 H ARG A 68 7.501 -4.425 -2.306 1.00 0.00 H new ATOM 0 HA ARG A 68 9.708 -3.807 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.802 -6.116 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.060 -5.743 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.980 -3.405 0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.621 -4.091 0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.730 -5.158 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.336 -4.107 2.488 1.00 0.00 H new ATOM 0 HE ARG A 68 6.073 -6.621 0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.765 -5.091 4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.466 -6.162 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.391 -8.015 1.693 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.693 -7.809 3.303 1.00 0.00 H new ATOM 841 N GLY A 69 9.962 -6.329 -2.689 1.00 0.00 N ATOM 842 CA GLY A 69 10.924 -7.168 -3.334 1.00 0.00 C ATOM 843 C GLY A 69 11.980 -6.336 -4.019 1.00 0.00 C ATOM 844 O GLY A 69 13.117 -6.733 -4.094 1.00 0.00 O ATOM 0 H GLY A 69 9.024 -6.369 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.391 -7.826 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.426 -7.807 -4.064 1.00 0.00 H new ATOM 848 N TYR A 70 11.604 -5.135 -4.434 1.00 0.00 N ATOM 849 CA TYR A 70 12.509 -4.233 -5.152 1.00 0.00 C ATOM 850 C TYR A 70 13.630 -3.849 -4.231 1.00 0.00 C ATOM 851 O TYR A 70 14.804 -3.926 -4.589 1.00 0.00 O ATOM 852 CB TYR A 70 11.749 -2.976 -5.634 1.00 0.00 C ATOM 853 CG TYR A 70 12.586 -1.922 -6.348 1.00 0.00 C ATOM 854 CD1 TYR A 70 13.218 -0.886 -5.642 1.00 0.00 C ATOM 855 CD2 TYR A 70 12.722 -1.942 -7.727 1.00 0.00 C ATOM 856 CE1 TYR A 70 13.950 0.076 -6.298 1.00 0.00 C ATOM 857 CE2 TYR A 70 13.461 -0.979 -8.385 1.00 0.00 C ATOM 858 CZ TYR A 70 14.069 0.026 -7.665 1.00 0.00 C ATOM 859 OH TYR A 70 14.807 0.988 -8.320 1.00 0.00 O ATOM 0 H TYR A 70 10.669 -4.755 -4.286 1.00 0.00 H new ATOM 0 HA TYR A 70 12.911 -4.737 -6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.951 -3.293 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.273 -2.510 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.128 -0.844 -4.567 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.242 -2.724 -8.297 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.429 0.867 -5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.562 -1.013 -9.460 1.00 0.00 H new ATOM 0 HH TYR A 70 14.794 0.810 -9.284 1.00 0.00 H new ATOM 869 N PHE A 71 13.260 -3.497 -3.025 1.00 0.00 N ATOM 870 CA PHE A 71 14.211 -3.109 -2.029 1.00 0.00 C ATOM 871 C PHE A 71 15.125 -4.265 -1.653 1.00 0.00 C ATOM 872 O PHE A 71 16.318 -4.071 -1.463 1.00 0.00 O ATOM 873 CB PHE A 71 13.555 -2.440 -0.828 1.00 0.00 C ATOM 874 CG PHE A 71 12.864 -1.149 -1.197 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.578 -0.116 -1.784 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.509 -0.980 -0.990 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.956 1.059 -2.149 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.880 0.192 -1.358 1.00 0.00 C ATOM 879 CZ PHE A 71 11.604 1.213 -1.938 1.00 0.00 C ATOM 0 H PHE A 71 12.290 -3.473 -2.712 1.00 0.00 H new ATOM 0 HA PHE A 71 14.850 -2.343 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.831 -3.123 -0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 71 14.311 -2.241 -0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.637 -0.233 -1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.935 -1.774 -0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.528 1.857 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.819 0.310 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.112 2.130 -2.226 1.00 0.00 H new ATOM 889 N GLN A 72 14.557 -5.468 -1.567 1.00 0.00 N ATOM 890 CA GLN A 72 15.343 -6.678 -1.308 1.00 0.00 C ATOM 891 C GLN A 72 16.463 -6.824 -2.349 1.00 0.00 C ATOM 892 O GLN A 72 17.602 -7.161 -2.004 1.00 0.00 O ATOM 893 CB GLN A 72 14.458 -7.932 -1.321 1.00 0.00 C ATOM 894 CG GLN A 72 13.370 -7.975 -0.250 1.00 0.00 C ATOM 895 CD GLN A 72 13.896 -8.081 1.179 1.00 0.00 C ATOM 896 OE1 GLN A 72 14.984 -7.598 1.509 1.00 0.00 O ATOM 897 NE2 GLN A 72 13.135 -8.726 2.024 1.00 0.00 N ATOM 0 H GLN A 72 13.556 -5.632 -1.673 1.00 0.00 H new ATOM 0 HA GLN A 72 15.784 -6.578 -0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.985 -8.012 -2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 72 15.096 -8.808 -1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.759 -7.076 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.716 -8.824 -0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.242 -9.111 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.434 -8.844 2.992 1.00 0.00 H new ATOM 906 N ARG A 73 16.136 -6.529 -3.613 1.00 0.00 N ATOM 907 CA ARG A 73 17.119 -6.571 -4.707 1.00 0.00 C ATOM 908 C ARG A 73 18.143 -5.467 -4.545 1.00 0.00 C ATOM 909 O ARG A 73 19.326 -5.657 -4.829 1.00 0.00 O ATOM 910 CB ARG A 73 16.465 -6.461 -6.100 1.00 0.00 C ATOM 911 CG ARG A 73 15.876 -7.749 -6.663 1.00 0.00 C ATOM 912 CD ARG A 73 14.785 -8.310 -5.803 1.00 0.00 C ATOM 913 NE ARG A 73 14.246 -9.569 -6.302 1.00 0.00 N ATOM 914 CZ ARG A 73 12.989 -9.753 -6.699 1.00 0.00 C ATOM 915 NH1 ARG A 73 12.185 -8.716 -6.868 1.00 0.00 N ATOM 916 NH2 ARG A 73 12.559 -10.968 -6.985 1.00 0.00 N ATOM 0 H ARG A 73 15.197 -6.258 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 73 17.607 -7.544 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.673 -5.714 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 73 17.211 -6.088 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.484 -7.558 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.668 -8.490 -6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 73 15.169 -8.462 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.978 -7.581 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 73 14.879 -10.368 -6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.528 -7.771 -6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.222 -8.861 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.190 -11.765 -6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.596 -11.110 -7.289 1.00 0.00 H new ATOM 930 N GLU A 74 17.692 -4.323 -4.081 1.00 0.00 N ATOM 931 CA GLU A 74 18.561 -3.175 -3.852 1.00 0.00 C ATOM 932 C GLU A 74 19.606 -3.447 -2.774 1.00 0.00 C ATOM 933 O GLU A 74 20.718 -2.934 -2.844 1.00 0.00 O ATOM 934 CB GLU A 74 17.766 -1.907 -3.566 1.00 0.00 C ATOM 935 CG GLU A 74 16.899 -1.464 -4.735 1.00 0.00 C ATOM 936 CD GLU A 74 17.707 -1.155 -5.979 1.00 0.00 C ATOM 937 OE1 GLU A 74 17.936 -2.067 -6.811 1.00 0.00 O ATOM 938 OE2 GLU A 74 18.115 0.001 -6.152 1.00 0.00 O ATOM 0 H GLU A 74 16.713 -4.155 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 74 19.106 -3.007 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.132 -2.073 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.457 -1.104 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.175 -2.247 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.332 -0.579 -4.446 1.00 0.00 H new ATOM 945 N LEU A 75 19.277 -4.288 -1.804 1.00 0.00 N ATOM 946 CA LEU A 75 20.269 -4.697 -0.807 1.00 0.00 C ATOM 947 C LEU A 75 21.339 -5.597 -1.429 1.00 0.00 C ATOM 948 O LEU A 75 22.415 -5.759 -0.886 1.00 0.00 O ATOM 949 CB LEU A 75 19.637 -5.370 0.433 1.00 0.00 C ATOM 950 CG LEU A 75 19.125 -4.442 1.562 1.00 0.00 C ATOM 951 CD1 LEU A 75 17.992 -3.544 1.111 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.708 -5.258 2.778 1.00 0.00 C ATOM 0 H LEU A 75 18.350 -4.697 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 75 20.745 -3.781 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 75 18.801 -5.982 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 75 20.375 -6.047 0.862 1.00 0.00 H new ATOM 0 HG LEU A 75 19.955 -3.791 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 75 17.673 -2.916 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 75 18.332 -2.914 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.154 -4.156 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 75 18.351 -4.588 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.911 -5.947 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 75 19.563 -5.824 3.147 1.00 0.00 H new ATOM 964 N LYS A 76 21.048 -6.128 -2.596 1.00 0.00 N ATOM 965 CA LYS A 76 21.959 -7.014 -3.309 1.00 0.00 C ATOM 966 C LYS A 76 22.662 -6.239 -4.432 1.00 0.00 C ATOM 967 O LYS A 76 23.558 -6.754 -5.103 1.00 0.00 O ATOM 968 CB LYS A 76 21.182 -8.192 -3.900 1.00 0.00 C ATOM 969 CG LYS A 76 20.427 -9.026 -2.872 1.00 0.00 C ATOM 970 CD LYS A 76 19.569 -10.078 -3.552 1.00 0.00 C ATOM 971 CE LYS A 76 18.776 -10.917 -2.552 1.00 0.00 C ATOM 972 NZ LYS A 76 19.640 -11.742 -1.694 1.00 0.00 N ATOM 0 H LYS A 76 20.169 -5.960 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 76 22.707 -7.394 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.472 -7.812 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 76 21.877 -8.839 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.135 -9.508 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.798 -8.377 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.879 -9.591 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.205 -10.733 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.174 -10.257 -1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.085 -11.563 -3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.051 -12.353 -1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.257 -12.332 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.224 -11.125 -1.093 1.00 0.00 H new ATOM 986 N ARG A 77 22.221 -5.000 -4.626 1.00 0.00 N ATOM 987 CA ARG A 77 22.693 -4.118 -5.698 1.00 0.00 C ATOM 988 C ARG A 77 24.156 -3.759 -5.528 1.00 0.00 C ATOM 989 O ARG A 77 24.859 -3.530 -6.506 1.00 0.00 O ATOM 990 CB ARG A 77 21.869 -2.828 -5.679 1.00 0.00 C ATOM 991 CG ARG A 77 22.192 -1.828 -6.768 1.00 0.00 C ATOM 992 CD ARG A 77 21.292 -0.612 -6.659 1.00 0.00 C ATOM 993 NE ARG A 77 21.693 0.466 -7.566 1.00 0.00 N ATOM 994 CZ ARG A 77 21.016 1.616 -7.720 1.00 0.00 C ATOM 995 NH1 ARG A 77 19.776 1.729 -7.257 1.00 0.00 N ATOM 996 NH2 ARG A 77 21.562 2.628 -8.387 1.00 0.00 N ATOM 0 H ARG A 77 21.512 -4.569 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 77 22.577 -4.647 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 77 20.814 -3.091 -5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.009 -2.343 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.236 -1.523 -6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 77 22.067 -2.293 -7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.265 -0.903 -6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.307 -0.244 -5.633 1.00 0.00 H new ATOM 0 HE ARG A 77 22.542 0.335 -8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.335 0.941 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.265 2.604 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.497 2.532 -8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.046 3.500 -8.503 1.00 0.00 H new ATOM 1010 N THR A 78 24.585 -3.666 -4.277 1.00 0.00 N ATOM 1011 CA THR A 78 25.939 -3.242 -3.901 1.00 0.00 C ATOM 1012 C THR A 78 26.070 -1.700 -3.978 1.00 0.00 C ATOM 1013 O THR A 78 26.846 -1.102 -3.244 1.00 0.00 O ATOM 1014 CB THR A 78 27.048 -3.976 -4.726 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.819 -5.395 -4.652 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.447 -3.675 -4.195 1.00 0.00 C ATOM 0 H THR A 78 23.995 -3.886 -3.475 1.00 0.00 H new ATOM 0 HA THR A 78 26.100 -3.537 -2.864 1.00 0.00 H new ATOM 0 HB THR A 78 26.994 -3.621 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.508 -5.865 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 78 29.186 -4.204 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.634 -2.603 -4.251 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.521 -4.003 -3.158 1.00 0.00 H new ATOM 1024 N ASP A 79 25.253 -1.065 -4.822 1.00 0.00 N ATOM 1025 CA ASP A 79 25.216 0.399 -4.922 1.00 0.00 C ATOM 1026 C ASP A 79 24.331 0.977 -3.825 1.00 0.00 C ATOM 1027 O ASP A 79 23.296 1.587 -4.096 1.00 0.00 O ATOM 1028 CB ASP A 79 24.703 0.907 -6.291 1.00 0.00 C ATOM 1029 CG ASP A 79 25.532 0.489 -7.474 1.00 0.00 C ATOM 1030 OD1 ASP A 79 26.502 1.179 -7.810 1.00 0.00 O ATOM 1031 OD2 ASP A 79 25.218 -0.538 -8.098 1.00 0.00 O ATOM 0 H ASP A 79 24.605 -1.543 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 79 26.247 0.736 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 79 23.684 0.549 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 79 24.658 1.996 -6.264 1.00 0.00 H new ATOM 1036 N LEU A 80 24.693 0.692 -2.609 1.00 0.00 N ATOM 1037 CA LEU A 80 24.042 1.214 -1.433 1.00 0.00 C ATOM 1038 C LEU A 80 25.028 1.154 -0.299 1.00 0.00 C ATOM 1039 O LEU A 80 25.928 0.310 -0.272 1.00 0.00 O ATOM 1040 CB LEU A 80 22.783 0.386 -1.037 1.00 0.00 C ATOM 1041 CG LEU A 80 23.023 -0.986 -0.359 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.731 -1.526 0.210 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.615 -2.008 -1.320 1.00 0.00 C ATOM 0 H LEU A 80 25.474 0.071 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 80 23.716 2.233 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.177 0.993 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.191 0.219 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 80 23.742 -0.821 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.917 -2.490 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.340 -0.828 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.004 -1.649 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.765 -2.953 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.932 -2.159 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.572 -1.644 -1.694 1.00 0.00 H new ATOM 1055 N ASP A 81 24.872 2.041 0.588 1.00 0.00 N ATOM 1056 CA ASP A 81 25.611 2.073 1.811 1.00 0.00 C ATOM 1057 C ASP A 81 24.542 2.184 2.872 1.00 0.00 C ATOM 1058 O ASP A 81 23.346 2.056 2.527 1.00 0.00 O ATOM 1059 CB ASP A 81 26.604 3.268 1.835 1.00 0.00 C ATOM 1060 CG ASP A 81 27.548 3.265 3.036 1.00 0.00 C ATOM 1061 OD1 ASP A 81 28.599 2.589 3.001 1.00 0.00 O ATOM 1062 OD2 ASP A 81 27.243 3.933 4.041 1.00 0.00 O ATOM 0 H ASP A 81 24.203 2.805 0.497 1.00 0.00 H new ATOM 0 HA ASP A 81 26.239 1.194 1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 81 27.196 3.254 0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 81 26.037 4.199 1.833 1.00 0.00 H new ATOM 1067 N LEU A 82 24.898 2.475 4.097 1.00 0.00 N ATOM 1068 CA LEU A 82 23.945 2.521 5.195 1.00 0.00 C ATOM 1069 C LEU A 82 22.849 3.527 4.932 1.00 0.00 C ATOM 1070 O LEU A 82 21.740 3.325 5.330 1.00 0.00 O ATOM 1071 CB LEU A 82 24.636 2.834 6.520 1.00 0.00 C ATOM 1072 CG LEU A 82 25.741 1.872 6.963 1.00 0.00 C ATOM 1073 CD1 LEU A 82 26.395 2.371 8.239 1.00 0.00 C ATOM 1074 CD2 LEU A 82 25.179 0.477 7.172 1.00 0.00 C ATOM 0 H LEU A 82 25.857 2.688 4.370 1.00 0.00 H new ATOM 0 HA LEU A 82 23.494 1.531 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.063 3.835 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 82 23.877 2.863 7.301 1.00 0.00 H new ATOM 0 HG LEU A 82 26.495 1.828 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 82 27.179 1.677 8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 82 26.830 3.355 8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.647 2.440 9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 82 25.978 -0.194 7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 82 24.407 0.507 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 82 24.748 0.115 6.239 1.00 0.00 H new ATOM 1086 N LEU A 83 23.172 4.578 4.220 1.00 0.00 N ATOM 1087 CA LEU A 83 22.215 5.636 3.912 1.00 0.00 C ATOM 1088 C LEU A 83 21.107 5.157 3.030 1.00 0.00 C ATOM 1089 O LEU A 83 19.926 5.340 3.322 1.00 0.00 O ATOM 1090 CB LEU A 83 22.920 6.652 3.094 1.00 0.00 C ATOM 1091 CG LEU A 83 24.071 7.359 3.725 1.00 0.00 C ATOM 1092 CD1 LEU A 83 24.683 8.208 2.680 1.00 0.00 C ATOM 1093 CD2 LEU A 83 23.604 8.205 4.894 1.00 0.00 C ATOM 0 H LEU A 83 24.103 4.733 3.833 1.00 0.00 H new ATOM 0 HA LEU A 83 21.818 6.002 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 83 23.279 6.165 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 83 22.191 7.402 2.786 1.00 0.00 H new ATOM 0 HG LEU A 83 24.795 6.644 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 83 25.533 8.746 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 83 25.022 7.582 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 83 23.946 8.923 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 83 24.459 8.712 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 83 22.885 8.946 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 83 23.131 7.566 5.640 1.00 0.00 H new ATOM 1105 N GLU A 84 21.494 4.512 1.975 1.00 0.00 N ATOM 1106 CA GLU A 84 20.566 4.081 0.998 1.00 0.00 C ATOM 1107 C GLU A 84 19.763 2.946 1.546 1.00 0.00 C ATOM 1108 O GLU A 84 18.548 2.913 1.411 1.00 0.00 O ATOM 1109 CB GLU A 84 21.280 3.790 -0.316 1.00 0.00 C ATOM 1110 CG GLU A 84 22.079 5.008 -0.775 1.00 0.00 C ATOM 1111 CD GLU A 84 22.684 4.894 -2.147 1.00 0.00 C ATOM 1112 OE1 GLU A 84 23.822 4.378 -2.281 1.00 0.00 O ATOM 1113 OE2 GLU A 84 22.051 5.382 -3.115 1.00 0.00 O ATOM 0 H GLU A 84 22.465 4.273 1.774 1.00 0.00 H new ATOM 0 HA GLU A 84 19.850 4.868 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.947 2.936 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.551 3.518 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.426 5.880 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 84 22.878 5.191 -0.057 1.00 0.00 H new ATOM 1120 N LYS A 85 20.446 2.077 2.282 1.00 0.00 N ATOM 1121 CA LYS A 85 19.828 0.962 2.934 1.00 0.00 C ATOM 1122 C LYS A 85 18.850 1.488 3.967 1.00 0.00 C ATOM 1123 O LYS A 85 17.762 0.945 4.125 1.00 0.00 O ATOM 1124 CB LYS A 85 20.898 0.021 3.550 1.00 0.00 C ATOM 1125 CG LYS A 85 20.389 -1.375 3.977 1.00 0.00 C ATOM 1126 CD LYS A 85 19.629 -1.384 5.305 1.00 0.00 C ATOM 1127 CE LYS A 85 20.551 -1.158 6.504 1.00 0.00 C ATOM 1128 NZ LYS A 85 21.512 -2.274 6.690 1.00 0.00 N ATOM 0 H LYS A 85 21.452 2.140 2.435 1.00 0.00 H new ATOM 0 HA LYS A 85 19.276 0.360 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.702 -0.110 2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.331 0.513 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.738 -1.767 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.240 -2.052 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.863 -0.609 5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.115 -2.338 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.100 -0.227 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.950 -1.044 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.937 -2.212 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.013 -3.181 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.260 -2.211 5.970 1.00 0.00 H new ATOM 1142 N PHE A 86 19.216 2.593 4.620 1.00 0.00 N ATOM 1143 CA PHE A 86 18.368 3.174 5.651 1.00 0.00 C ATOM 1144 C PHE A 86 17.063 3.678 5.038 1.00 0.00 C ATOM 1145 O PHE A 86 16.014 3.623 5.651 1.00 0.00 O ATOM 1146 CB PHE A 86 19.103 4.314 6.385 1.00 0.00 C ATOM 1147 CG PHE A 86 18.332 4.966 7.499 1.00 0.00 C ATOM 1148 CD1 PHE A 86 18.254 4.369 8.745 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.690 6.182 7.300 1.00 0.00 C ATOM 1150 CE1 PHE A 86 17.553 4.964 9.772 1.00 0.00 C ATOM 1151 CE2 PHE A 86 16.989 6.782 8.324 1.00 0.00 C ATOM 1152 CZ PHE A 86 16.921 6.173 9.562 1.00 0.00 C ATOM 0 H PHE A 86 20.087 3.096 4.452 1.00 0.00 H new ATOM 0 HA PHE A 86 18.132 2.401 6.382 1.00 0.00 H new ATOM 0 HB2 PHE A 86 20.034 3.920 6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 86 19.372 5.079 5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.749 3.424 8.915 1.00 0.00 H new ATOM 0 HD2 PHE A 86 17.741 6.662 6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 86 17.498 4.485 10.739 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.493 7.727 8.159 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.373 6.643 10.366 1.00 0.00 H new ATOM 1162 N ASN A 87 17.160 4.148 3.828 1.00 0.00 N ATOM 1163 CA ASN A 87 16.058 4.678 3.084 1.00 0.00 C ATOM 1164 C ASN A 87 15.163 3.562 2.572 1.00 0.00 C ATOM 1165 O ASN A 87 13.954 3.715 2.503 1.00 0.00 O ATOM 1166 CB ASN A 87 16.558 5.580 1.953 1.00 0.00 C ATOM 1167 CG ASN A 87 15.436 6.223 1.172 1.00 0.00 C ATOM 1168 OD1 ASN A 87 15.003 5.714 0.147 1.00 0.00 O ATOM 1169 ND2 ASN A 87 14.936 7.314 1.668 1.00 0.00 N ATOM 0 H ASN A 87 18.041 4.173 3.315 1.00 0.00 H new ATOM 0 HA ASN A 87 15.452 5.294 3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.195 6.359 2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 87 17.176 4.993 1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.156 7.776 1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.323 7.709 2.525 1.00 0.00 H new ATOM 1176 N PHE A 88 15.758 2.422 2.233 1.00 0.00 N ATOM 1177 CA PHE A 88 14.975 1.265 1.791 1.00 0.00 C ATOM 1178 C PHE A 88 14.269 0.716 2.976 1.00 0.00 C ATOM 1179 O PHE A 88 13.131 0.349 2.893 1.00 0.00 O ATOM 1180 CB PHE A 88 15.828 0.151 1.180 1.00 0.00 C ATOM 1181 CG PHE A 88 16.790 0.606 0.153 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.474 1.632 -0.726 1.00 0.00 C ATOM 1183 CD2 PHE A 88 18.043 0.047 0.102 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.396 2.075 -1.628 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.966 0.497 -0.788 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.643 1.505 -1.649 1.00 0.00 C ATOM 0 H PHE A 88 16.767 2.272 2.254 1.00 0.00 H new ATOM 0 HA PHE A 88 14.291 1.607 1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.378 -0.347 1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.167 -0.593 0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.493 2.082 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.297 -0.758 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 88 17.147 2.867 -2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.952 0.058 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.379 1.858 -2.356 1.00 0.00 H new ATOM 1196 N GLU A 89 14.966 0.717 4.098 1.00 0.00 N ATOM 1197 CA GLU A 89 14.433 0.291 5.362 1.00 0.00 C ATOM 1198 C GLU A 89 13.338 1.261 5.754 1.00 0.00 C ATOM 1199 O GLU A 89 12.316 0.879 6.341 1.00 0.00 O ATOM 1200 CB GLU A 89 15.568 0.288 6.399 1.00 0.00 C ATOM 1201 CG GLU A 89 15.182 -0.128 7.805 1.00 0.00 C ATOM 1202 CD GLU A 89 14.625 -1.527 7.877 1.00 0.00 C ATOM 1203 OE1 GLU A 89 15.370 -2.491 7.610 1.00 0.00 O ATOM 1204 OE2 GLU A 89 13.443 -1.703 8.226 1.00 0.00 O ATOM 0 H GLU A 89 15.938 1.022 4.148 1.00 0.00 H new ATOM 0 HA GLU A 89 14.017 -0.715 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.354 -0.380 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.997 1.289 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.057 -0.058 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.442 0.572 8.194 1.00 0.00 H new ATOM 1211 N ALA A 90 13.525 2.523 5.375 1.00 0.00 N ATOM 1212 CA ALA A 90 12.517 3.518 5.678 1.00 0.00 C ATOM 1213 C ALA A 90 11.275 3.289 4.820 1.00 0.00 C ATOM 1214 O ALA A 90 10.137 3.297 5.312 1.00 0.00 O ATOM 1215 CB ALA A 90 13.053 4.929 5.488 1.00 0.00 C ATOM 0 H ALA A 90 14.343 2.868 4.872 1.00 0.00 H new ATOM 0 HA ALA A 90 12.242 3.412 6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.271 5.650 5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.904 5.087 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.369 5.062 4.453 1.00 0.00 H new ATOM 1221 N ALA A 91 11.504 3.038 3.554 1.00 0.00 N ATOM 1222 CA ALA A 91 10.452 2.799 2.600 1.00 0.00 C ATOM 1223 C ALA A 91 9.716 1.505 2.910 1.00 0.00 C ATOM 1224 O ALA A 91 8.491 1.466 2.891 1.00 0.00 O ATOM 1225 CB ALA A 91 11.017 2.803 1.195 1.00 0.00 C ATOM 0 H ALA A 91 12.441 2.994 3.153 1.00 0.00 H new ATOM 0 HA ALA A 91 9.721 3.604 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.215 2.622 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.474 3.771 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.769 2.019 1.103 1.00 0.00 H new ATOM 1231 N LEU A 92 10.458 0.473 3.254 1.00 0.00 N ATOM 1232 CA LEU A 92 9.889 -0.816 3.613 1.00 0.00 C ATOM 1233 C LEU A 92 8.967 -0.688 4.796 1.00 0.00 C ATOM 1234 O LEU A 92 7.879 -1.248 4.793 1.00 0.00 O ATOM 1235 CB LEU A 92 10.979 -1.864 3.883 1.00 0.00 C ATOM 1236 CG LEU A 92 11.735 -2.384 2.657 1.00 0.00 C ATOM 1237 CD1 LEU A 92 12.899 -3.259 3.077 1.00 0.00 C ATOM 1238 CD2 LEU A 92 10.799 -3.173 1.770 1.00 0.00 C ATOM 0 H LEU A 92 11.477 0.501 3.294 1.00 0.00 H new ATOM 0 HA LEU A 92 9.306 -1.161 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.703 -1.435 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.520 -2.714 4.388 1.00 0.00 H new ATOM 0 HG LEU A 92 12.123 -1.529 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.423 -3.618 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.586 -2.680 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.527 -4.110 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.344 -3.539 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.395 -4.018 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.981 -2.531 1.442 1.00 0.00 H new ATOM 1250 N ALA A 93 9.364 0.113 5.767 1.00 0.00 N ATOM 1251 CA ALA A 93 8.549 0.329 6.942 1.00 0.00 C ATOM 1252 C ALA A 93 7.334 1.167 6.590 1.00 0.00 C ATOM 1253 O ALA A 93 6.279 1.013 7.179 1.00 0.00 O ATOM 1254 CB ALA A 93 9.354 0.969 8.061 1.00 0.00 C ATOM 0 H ALA A 93 10.247 0.624 5.763 1.00 0.00 H new ATOM 0 HA ALA A 93 8.205 -0.640 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.714 1.119 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.185 0.317 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.742 1.931 7.726 1.00 0.00 H new ATOM 1260 N THR A 94 7.475 2.000 5.577 1.00 0.00 N ATOM 1261 CA THR A 94 6.404 2.840 5.144 1.00 0.00 C ATOM 1262 C THR A 94 5.336 1.965 4.490 1.00 0.00 C ATOM 1263 O THR A 94 4.153 2.005 4.861 1.00 0.00 O ATOM 1264 CB THR A 94 6.927 3.912 4.151 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.921 4.724 4.802 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.808 4.802 3.631 1.00 0.00 C ATOM 0 H THR A 94 8.336 2.104 5.041 1.00 0.00 H new ATOM 0 HA THR A 94 5.972 3.364 5.996 1.00 0.00 H new ATOM 0 HB THR A 94 7.361 3.391 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.658 4.156 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.219 5.537 2.940 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.068 4.191 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.334 5.316 4.467 1.00 0.00 H new ATOM 1274 N GLY A 95 5.792 1.124 3.581 1.00 0.00 N ATOM 1275 CA GLY A 95 4.936 0.246 2.860 1.00 0.00 C ATOM 1276 C GLY A 95 4.318 -0.813 3.721 1.00 0.00 C ATOM 1277 O GLY A 95 3.145 -1.073 3.609 1.00 0.00 O ATOM 0 H GLY A 95 6.778 1.042 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.145 0.828 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.504 -0.230 2.061 1.00 0.00 H new ATOM 1281 N ASP A 96 5.103 -1.399 4.601 1.00 0.00 N ATOM 1282 CA ASP A 96 4.629 -2.479 5.466 1.00 0.00 C ATOM 1283 C ASP A 96 3.563 -2.001 6.437 1.00 0.00 C ATOM 1284 O ASP A 96 2.553 -2.669 6.630 1.00 0.00 O ATOM 1285 CB ASP A 96 5.798 -3.141 6.202 1.00 0.00 C ATOM 1286 CG ASP A 96 5.376 -4.246 7.140 1.00 0.00 C ATOM 1287 OD1 ASP A 96 4.900 -5.298 6.673 1.00 0.00 O ATOM 1288 OD2 ASP A 96 5.545 -4.086 8.366 1.00 0.00 O ATOM 0 H ASP A 96 6.082 -1.148 4.743 1.00 0.00 H new ATOM 0 HA ASP A 96 4.163 -3.230 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.495 -3.546 5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.336 -2.381 6.769 1.00 0.00 H new ATOM 1293 N LEU A 97 3.754 -0.823 6.997 1.00 0.00 N ATOM 1294 CA LEU A 97 2.782 -0.278 7.934 1.00 0.00 C ATOM 1295 C LEU A 97 1.477 0.085 7.246 1.00 0.00 C ATOM 1296 O LEU A 97 0.403 -0.240 7.744 1.00 0.00 O ATOM 1297 CB LEU A 97 3.342 0.902 8.730 1.00 0.00 C ATOM 1298 CG LEU A 97 4.505 0.578 9.672 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.952 1.822 10.421 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.115 -0.527 10.641 1.00 0.00 C ATOM 0 H LEU A 97 4.564 -0.227 6.824 1.00 0.00 H new ATOM 0 HA LEU A 97 2.564 -1.070 8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.671 1.667 8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.533 1.336 9.318 1.00 0.00 H new ATOM 0 HG LEU A 97 5.344 0.225 9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.779 1.570 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.277 2.579 9.707 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.121 2.211 11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.954 -0.744 11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.259 -0.205 11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.852 -1.425 10.082 1.00 0.00 H new ATOM 1312 N LEU A 98 1.556 0.721 6.088 1.00 0.00 N ATOM 1313 CA LEU A 98 0.343 1.057 5.358 1.00 0.00 C ATOM 1314 C LEU A 98 -0.296 -0.209 4.794 1.00 0.00 C ATOM 1315 O LEU A 98 -1.468 -0.241 4.568 1.00 0.00 O ATOM 1316 CB LEU A 98 0.582 2.116 4.264 1.00 0.00 C ATOM 1317 CG LEU A 98 1.376 1.663 3.050 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.482 1.027 1.992 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.212 2.778 2.467 1.00 0.00 C ATOM 0 H LEU A 98 2.426 1.010 5.641 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.353 1.513 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.387 2.480 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.100 2.963 4.715 1.00 0.00 H new ATOM 0 HG LEU A 98 2.066 0.895 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.089 0.717 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.020 0.157 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.263 1.751 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.761 2.407 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.562 3.598 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.916 3.135 3.218 1.00 0.00 H new ATOM 1331 N LEU A 99 0.520 -1.241 4.541 1.00 0.00 N ATOM 1332 CA LEU A 99 0.046 -2.531 4.028 1.00 0.00 C ATOM 1333 C LEU A 99 -0.852 -3.132 5.078 1.00 0.00 C ATOM 1334 O LEU A 99 -1.933 -3.653 4.796 1.00 0.00 O ATOM 1335 CB LEU A 99 1.272 -3.450 3.727 1.00 0.00 C ATOM 1336 CG LEU A 99 1.059 -4.802 2.997 1.00 0.00 C ATOM 1337 CD1 LEU A 99 0.396 -5.852 3.874 1.00 0.00 C ATOM 1338 CD2 LEU A 99 0.266 -4.596 1.725 1.00 0.00 C ATOM 0 H LEU A 99 1.529 -1.204 4.687 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.511 -2.413 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.978 -2.868 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.758 -3.667 4.678 1.00 0.00 H new ATOM 0 HG LEU A 99 2.049 -5.184 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.274 -6.775 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.019 -6.042 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.581 -5.492 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.125 -5.554 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.706 -4.167 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.807 -3.918 1.065 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.419 -2.991 6.289 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.143 -3.436 7.418 1.00 0.00 C ATOM 1352 C LYS A 100 -2.362 -2.568 7.623 1.00 0.00 C ATOM 1353 O LYS A 100 -3.405 -3.041 8.085 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.226 -3.513 8.633 1.00 0.00 C ATOM 1355 CG LYS A 100 0.754 -4.661 8.499 1.00 0.00 C ATOM 1356 CD LYS A 100 1.942 -4.556 9.427 1.00 0.00 C ATOM 1357 CE LYS A 100 2.800 -5.800 9.287 1.00 0.00 C ATOM 1358 NZ LYS A 100 4.108 -5.670 9.942 1.00 0.00 N ATOM 0 H LYS A 100 0.472 -2.551 6.518 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.513 -4.448 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.319 -2.575 8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.822 -3.642 9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.232 -5.598 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.111 -4.705 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.527 -3.668 9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.604 -4.447 10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.269 -6.651 9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.949 -6.015 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.505 -6.615 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.752 -5.131 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.995 -5.171 10.848 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.249 -1.299 7.258 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.388 -0.394 7.381 1.00 0.00 C ATOM 1374 C ASP A 101 -4.420 -0.693 6.284 1.00 0.00 C ATOM 1375 O ASP A 101 -5.630 -0.596 6.496 1.00 0.00 O ATOM 1376 CB ASP A 101 -2.947 1.061 7.335 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.100 2.015 7.507 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.569 2.204 8.661 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.548 2.590 6.519 1.00 0.00 O ATOM 0 H ASP A 101 -1.400 -0.877 6.882 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.854 -0.560 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.211 1.240 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.454 1.259 6.383 1.00 0.00 H new ATOM 1384 N LEU A 102 -3.909 -1.097 5.142 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.671 -1.513 3.979 1.00 0.00 C ATOM 1386 C LEU A 102 -5.535 -2.709 4.340 1.00 0.00 C ATOM 1387 O LEU A 102 -6.749 -2.709 4.119 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.666 -1.810 2.814 1.00 0.00 C ATOM 1389 CG LEU A 102 -4.179 -2.405 1.482 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -3.175 -2.102 0.379 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.314 -3.922 1.584 1.00 0.00 C ATOM 0 H LEU A 102 -2.902 -1.148 4.989 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.350 -0.729 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.159 -0.875 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.910 -2.492 3.204 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.151 -1.964 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.532 -2.519 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.061 -1.023 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.212 -2.547 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.676 -4.320 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -3.342 -4.359 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.020 -4.172 2.376 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.919 -3.696 4.955 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.629 -4.882 5.379 1.00 0.00 C ATOM 1405 C LYS A 103 -6.583 -4.569 6.535 1.00 0.00 C ATOM 1406 O LYS A 103 -7.622 -5.201 6.677 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.653 -6.001 5.752 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.784 -6.463 4.583 1.00 0.00 C ATOM 1409 CD LYS A 103 -2.799 -7.559 4.980 1.00 0.00 C ATOM 1410 CE LYS A 103 -3.498 -8.839 5.414 1.00 0.00 C ATOM 1411 NZ LYS A 103 -2.530 -9.911 5.733 1.00 0.00 N ATOM 0 H LYS A 103 -3.923 -3.699 5.173 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.230 -5.232 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.008 -5.656 6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.217 -6.852 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.425 -6.829 3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.233 -5.611 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.142 -7.775 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.168 -7.199 5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.118 -8.637 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.165 -9.176 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.044 -10.767 6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.955 -10.121 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.909 -9.599 6.507 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.247 -3.562 7.326 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.070 -3.155 8.448 1.00 0.00 C ATOM 1427 C ALA A 104 -8.328 -2.485 7.964 1.00 0.00 C ATOM 1428 O ALA A 104 -9.423 -2.732 8.483 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.306 -2.232 9.363 1.00 0.00 C ATOM 0 H ALA A 104 -5.399 -3.007 7.207 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.344 -4.048 9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.942 -1.939 10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.423 -2.745 9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.000 -1.344 8.811 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.185 -1.648 6.945 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.317 -0.968 6.395 1.00 0.00 C ATOM 1437 C LEU A 105 -10.153 -2.000 5.679 1.00 0.00 C ATOM 1438 O LEU A 105 -11.342 -1.925 5.675 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.924 0.221 5.473 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.699 -0.079 3.985 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.985 0.132 3.180 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.563 0.742 3.419 1.00 0.00 C ATOM 0 H LEU A 105 -7.295 -1.434 6.494 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.892 -0.505 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.705 0.978 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.010 0.665 5.868 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.418 -1.129 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.797 -0.088 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.763 -0.533 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.312 1.167 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.432 0.503 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.792 1.802 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.644 0.513 3.959 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.483 -2.980 5.090 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.131 -4.084 4.424 1.00 0.00 C ATOM 1456 C GLN A 106 -11.022 -4.841 5.369 1.00 0.00 C ATOM 1457 O GLN A 106 -12.125 -5.144 5.019 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.104 -5.012 3.802 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.670 -6.316 3.287 1.00 0.00 C ATOM 1460 CD GLN A 106 -8.593 -7.240 2.819 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -8.306 -7.196 1.566 1.00 0.00 O flip ATOM 1462 NE2 GLN A 106 -8.046 -8.028 3.594 1.00 0.00 N flip ATOM 0 H GLN A 106 -8.464 -3.025 5.065 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.754 -3.675 3.629 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.614 -4.492 2.978 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.335 -5.231 4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.246 -6.799 4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.359 -6.115 2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.301 -8.032 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.338 -8.676 3.247 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.552 -5.118 6.564 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.375 -5.835 7.538 1.00 0.00 C ATOM 1473 C LYS A 107 -12.543 -4.961 7.950 1.00 0.00 C ATOM 1474 O LYS A 107 -13.639 -5.443 8.142 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.572 -6.254 8.782 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.321 -7.075 8.497 1.00 0.00 C ATOM 1477 CD LYS A 107 -9.626 -8.350 7.731 1.00 0.00 C ATOM 1478 CE LYS A 107 -8.352 -9.123 7.440 1.00 0.00 C ATOM 1479 NZ LYS A 107 -8.608 -10.345 6.660 1.00 0.00 N ATOM 0 H LYS A 107 -9.619 -4.866 6.891 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.735 -6.747 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.282 -5.356 9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.224 -6.830 9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.616 -6.471 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.834 -7.328 9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.310 -8.972 8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.130 -8.106 6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.658 -8.484 6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.868 -9.389 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.710 -10.840 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.249 -10.968 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.046 -10.092 5.751 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.299 -3.672 8.005 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.289 -2.695 8.375 1.00 0.00 C ATOM 1495 C ARG A 108 -14.360 -2.630 7.302 1.00 0.00 C ATOM 1496 O ARG A 108 -15.539 -2.632 7.593 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.601 -1.338 8.561 1.00 0.00 C ATOM 1498 CG ARG A 108 -13.512 -0.175 8.894 1.00 0.00 C ATOM 1499 CD ARG A 108 -12.691 1.080 9.106 1.00 0.00 C ATOM 1500 NE ARG A 108 -13.519 2.249 9.383 1.00 0.00 N ATOM 1501 CZ ARG A 108 -13.054 3.470 9.663 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -11.747 3.687 9.785 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -13.897 4.472 9.820 1.00 0.00 N ATOM 0 H ARG A 108 -11.388 -3.268 7.789 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.769 -2.973 9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.861 -1.434 9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.058 -1.099 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.227 -0.020 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -14.088 -0.399 9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.001 0.923 9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.086 1.269 8.219 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.531 2.125 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.089 2.917 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.403 4.623 9.999 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.900 4.314 9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.546 5.405 10.034 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.927 -2.581 6.070 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.809 -2.532 4.937 1.00 0.00 C ATOM 1519 C VAL A 109 -15.534 -3.895 4.698 1.00 0.00 C ATOM 1520 O VAL A 109 -16.721 -3.927 4.304 1.00 0.00 O ATOM 1521 CB VAL A 109 -14.093 -1.985 3.677 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -15.036 -1.879 2.511 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.514 -0.613 3.968 1.00 0.00 C ATOM 0 H VAL A 109 -12.937 -2.574 5.823 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.599 -1.817 5.167 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.297 -2.684 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.501 -1.492 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.439 -2.865 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.853 -1.203 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.012 -0.234 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.317 0.068 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.797 -0.687 4.786 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.803 -5.005 4.901 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.360 -6.364 4.822 1.00 0.00 C ATOM 1535 C GLN A 110 -16.463 -6.511 5.817 1.00 0.00 C ATOM 1536 O GLN A 110 -17.539 -7.064 5.530 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.309 -7.434 5.159 1.00 0.00 C ATOM 1538 CG GLN A 110 -13.412 -7.889 4.020 1.00 0.00 C ATOM 1539 CD GLN A 110 -14.154 -8.635 2.907 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -15.226 -9.307 3.241 1.00 0.00 O flip ATOM 1541 NE2 GLN A 110 -13.733 -8.620 1.747 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.808 -4.983 5.125 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.712 -6.505 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.676 -7.050 5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.827 -8.308 5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.915 -7.019 3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.632 -8.536 4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.895 -8.087 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -14.223 -9.140 1.020 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.185 -6.019 6.996 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.100 -6.086 8.084 1.00 0.00 C ATOM 1552 C ASP A 111 -18.252 -5.126 7.831 1.00 0.00 C ATOM 1553 O ASP A 111 -19.412 -5.455 8.056 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.378 -5.790 9.379 1.00 0.00 C ATOM 1555 CG ASP A 111 -17.209 -6.006 10.591 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -17.538 -7.182 10.902 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -17.471 -5.043 11.297 1.00 0.00 O ATOM 0 H ASP A 111 -15.304 -5.557 7.221 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.517 -7.090 8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.490 -6.420 9.441 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.035 -4.756 9.365 1.00 0.00 H new ATOM 1562 N SER A 112 -17.897 -3.932 7.375 1.00 0.00 N ATOM 1563 CA SER A 112 -18.804 -2.914 6.851 1.00 0.00 C ATOM 1564 C SER A 112 -19.619 -2.165 7.927 1.00 0.00 C ATOM 1565 O SER A 112 -20.017 -1.022 7.710 1.00 0.00 O ATOM 1566 CB SER A 112 -19.695 -3.517 5.746 1.00 0.00 C ATOM 1567 OG SER A 112 -20.464 -2.541 5.066 1.00 0.00 O ATOM 0 H SER A 112 -16.923 -3.631 7.359 1.00 0.00 H new ATOM 0 HA SER A 112 -18.178 -2.136 6.413 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.068 -4.044 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 112 -20.363 -4.256 6.188 1.00 0.00 H new ATOM 0 HG SER A 112 -21.220 -2.974 4.618 1.00 0.00 H new