USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0776) USER MOD Set 1.2: A 75 GLN : amide:sc= 0.387 X(o=0.39,f=-0.078) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.962 K(o=2.9,f=1.5) USER MOD Set 2.2: A 22 GLN : amide:sc= 1.95 K(o=2.9,f=1.5) USER MOD Set 3.1: A 13 TYR OH : rot 158:sc= 0.164 USER MOD Set 3.2: A 34 THR OG1 : rot 68:sc= 1.88 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0.939 (180deg=0.889) USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= 0.333 (180deg=0) USER MOD Single : A 24 SER OG : rot -153:sc= 1.75 USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= 0.216 (180deg=-0.682) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.932 K(o=0.93,f=-0.087) USER MOD Single : A 45 THR OG1 : rot 100:sc= 0.581 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.12 K(o=1.1,f=-0.16) USER MOD Single : A 62 SER OG : rot -76:sc= 0.184 USER MOD Single : A 67 GLN : amide:sc= 2 K(o=2,f=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0434) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -11.956 1.719 -6.241 1.00 0.00 N ATOM 37 CA PRO A 3 -10.646 2.158 -5.772 1.00 0.00 C ATOM 38 C PRO A 3 -10.716 2.955 -4.467 1.00 0.00 C ATOM 39 O PRO A 3 -9.831 2.834 -3.627 1.00 0.00 O ATOM 40 CB PRO A 3 -10.043 2.985 -6.910 1.00 0.00 C ATOM 41 CG PRO A 3 -10.687 2.357 -8.144 1.00 0.00 C ATOM 42 CD PRO A 3 -12.101 2.062 -7.647 1.00 0.00 C ATOM 0 HA PRO A 3 -10.023 1.297 -5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.287 4.043 -6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.956 2.910 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.687 3.038 -8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.168 1.452 -8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.750 2.928 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.550 1.242 -8.207 1.00 0.00 H new ATOM 50 N GLU A 4 -11.772 3.755 -4.278 1.00 0.00 N ATOM 51 CA GLU A 4 -11.998 4.543 -3.092 1.00 0.00 C ATOM 52 C GLU A 4 -12.061 3.652 -1.845 1.00 0.00 C ATOM 53 O GLU A 4 -11.670 4.058 -0.754 1.00 0.00 O ATOM 54 CB GLU A 4 -13.294 5.318 -3.331 1.00 0.00 C ATOM 55 CG GLU A 4 -13.214 6.286 -4.524 1.00 0.00 C ATOM 56 CD GLU A 4 -12.024 7.240 -4.421 1.00 0.00 C ATOM 57 OE1 GLU A 4 -12.118 8.182 -3.604 1.00 0.00 O ATOM 58 OE2 GLU A 4 -11.034 6.998 -5.145 1.00 0.00 O ATOM 0 H GLU A 4 -12.507 3.865 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.179 5.238 -2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.106 4.611 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.544 5.881 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.138 5.714 -5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.136 6.864 -4.582 1.00 0.00 H new ATOM 65 N GLU A 5 -12.529 2.415 -2.001 1.00 0.00 N ATOM 66 CA GLU A 5 -12.570 1.455 -0.914 1.00 0.00 C ATOM 67 C GLU A 5 -11.131 1.174 -0.471 1.00 0.00 C ATOM 68 O GLU A 5 -10.824 1.226 0.716 1.00 0.00 O ATOM 69 CB GLU A 5 -13.416 0.236 -1.332 1.00 0.00 C ATOM 70 CG GLU A 5 -12.667 -1.092 -1.505 1.00 0.00 C ATOM 71 CD GLU A 5 -13.573 -2.156 -2.115 1.00 0.00 C ATOM 72 OE1 GLU A 5 -13.790 -2.075 -3.346 1.00 0.00 O ATOM 73 OE2 GLU A 5 -14.054 -3.012 -1.344 1.00 0.00 O ATOM 0 H GLU A 5 -12.889 2.056 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.078 1.834 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.198 0.092 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.913 0.472 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.796 -0.942 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.298 -1.434 -0.538 1.00 0.00 H new ATOM 80 N LEU A 6 -10.238 0.918 -1.431 1.00 0.00 N ATOM 81 CA LEU A 6 -8.835 0.629 -1.165 1.00 0.00 C ATOM 82 C LEU A 6 -8.174 1.883 -0.594 1.00 0.00 C ATOM 83 O LEU A 6 -7.421 1.806 0.373 1.00 0.00 O ATOM 84 CB LEU A 6 -8.136 0.103 -2.426 1.00 0.00 C ATOM 85 CG LEU A 6 -8.837 -1.115 -3.054 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.112 -1.519 -4.339 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.885 -2.317 -2.102 1.00 0.00 C ATOM 0 H LEU A 6 -10.476 0.907 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.747 -0.166 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.085 0.903 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.110 -0.167 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.864 -0.822 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.610 -2.382 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.130 -0.688 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.078 -1.776 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.389 -3.150 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.870 -2.613 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.430 -2.044 -1.199 1.00 0.00 H new ATOM 99 N LYS A 7 -8.479 3.047 -1.172 1.00 0.00 N ATOM 100 CA LYS A 7 -8.031 4.348 -0.694 1.00 0.00 C ATOM 101 C LYS A 7 -8.357 4.493 0.796 1.00 0.00 C ATOM 102 O LYS A 7 -7.580 5.071 1.552 1.00 0.00 O ATOM 103 CB LYS A 7 -8.758 5.437 -1.488 1.00 0.00 C ATOM 104 CG LYS A 7 -8.216 6.848 -1.244 1.00 0.00 C ATOM 105 CD LYS A 7 -9.103 7.847 -1.997 1.00 0.00 C ATOM 106 CE LYS A 7 -8.616 9.283 -1.793 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.460 10.234 -2.537 1.00 0.00 N ATOM 0 H LYS A 7 -9.060 3.107 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.954 4.443 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.684 5.209 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.817 5.415 -1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.213 7.073 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.185 6.922 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.103 7.608 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.132 7.757 -1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.632 9.530 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.582 9.371 -2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.111 11.202 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.424 10.010 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.442 10.163 -2.201 1.00 0.00 H new ATOM 121 N GLY A 8 -9.505 3.961 1.226 1.00 0.00 N ATOM 122 CA GLY A 8 -9.925 4.029 2.614 1.00 0.00 C ATOM 123 C GLY A 8 -8.906 3.299 3.478 1.00 0.00 C ATOM 124 O GLY A 8 -8.473 3.801 4.510 1.00 0.00 O ATOM 0 H GLY A 8 -10.163 3.474 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.011 5.068 2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.910 3.578 2.732 1.00 0.00 H new ATOM 128 N ILE A 9 -8.507 2.107 3.035 1.00 0.00 N ATOM 129 CA ILE A 9 -7.541 1.273 3.733 1.00 0.00 C ATOM 130 C ILE A 9 -6.179 1.970 3.725 1.00 0.00 C ATOM 131 O ILE A 9 -5.527 2.064 4.764 1.00 0.00 O ATOM 132 CB ILE A 9 -7.482 -0.129 3.110 1.00 0.00 C ATOM 133 CG1 ILE A 9 -8.879 -0.691 2.789 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.707 -1.066 4.041 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.846 -0.743 3.978 1.00 0.00 C ATOM 0 H ILE A 9 -8.853 1.692 2.170 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.849 1.138 4.770 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.961 -0.054 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.327 -0.083 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.766 -1.698 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.664 -2.062 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.695 -0.686 4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.210 -1.118 5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.802 -1.153 3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.427 -1.376 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.997 0.263 4.368 1.00 0.00 H new ATOM 147 N PHE A 10 -5.760 2.471 2.557 1.00 0.00 N ATOM 148 CA PHE A 10 -4.521 3.220 2.408 1.00 0.00 C ATOM 149 C PHE A 10 -4.488 4.303 3.484 1.00 0.00 C ATOM 150 O PHE A 10 -3.544 4.374 4.260 1.00 0.00 O ATOM 151 CB PHE A 10 -4.447 3.865 1.014 1.00 0.00 C ATOM 152 CG PHE A 10 -3.329 4.877 0.855 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.495 6.175 1.381 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.039 4.438 0.522 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.396 6.827 1.955 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.927 5.221 0.877 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.105 6.348 1.698 1.00 0.00 C ATOM 0 H PHE A 10 -6.280 2.364 1.686 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.668 2.550 2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.319 3.080 0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.398 4.354 0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.459 6.661 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.901 3.505 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.542 7.689 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.058 4.958 0.521 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.248 6.844 2.130 1.00 0.00 H new ATOM 167 N GLU A 11 -5.526 5.144 3.519 1.00 0.00 N ATOM 168 CA GLU A 11 -5.642 6.238 4.468 1.00 0.00 C ATOM 169 C GLU A 11 -5.604 5.710 5.903 1.00 0.00 C ATOM 170 O GLU A 11 -4.854 6.218 6.730 1.00 0.00 O ATOM 171 CB GLU A 11 -6.923 7.028 4.169 1.00 0.00 C ATOM 172 CG GLU A 11 -6.985 8.333 4.973 1.00 0.00 C ATOM 173 CD GLU A 11 -8.226 9.139 4.609 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.197 9.768 3.530 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.186 9.100 5.410 1.00 0.00 O ATOM 0 H GLU A 11 -6.316 5.077 2.877 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.794 6.915 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.971 7.254 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.792 6.414 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.993 8.108 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.092 8.927 4.779 1.00 0.00 H new ATOM 182 N LYS A 12 -6.413 4.688 6.196 1.00 0.00 N ATOM 183 CA LYS A 12 -6.500 4.076 7.512 1.00 0.00 C ATOM 184 C LYS A 12 -5.108 3.708 8.018 1.00 0.00 C ATOM 185 O LYS A 12 -4.734 4.106 9.117 1.00 0.00 O ATOM 186 CB LYS A 12 -7.436 2.860 7.463 1.00 0.00 C ATOM 187 CG LYS A 12 -7.726 2.291 8.859 1.00 0.00 C ATOM 188 CD LYS A 12 -8.775 1.170 8.813 1.00 0.00 C ATOM 189 CE LYS A 12 -8.235 -0.094 8.130 1.00 0.00 C ATOM 190 NZ LYS A 12 -9.233 -1.177 8.128 1.00 0.00 N ATOM 0 H LYS A 12 -7.034 4.260 5.509 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.923 4.790 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.374 3.146 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.988 2.084 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.803 1.907 9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.077 3.091 9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.091 0.927 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.658 1.521 8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.949 0.140 7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.334 -0.429 8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.889 -1.965 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.387 -1.509 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.129 -0.822 7.737 1.00 0.00 H new ATOM 204 N TYR A 13 -4.332 2.952 7.236 1.00 0.00 N ATOM 205 CA TYR A 13 -2.993 2.580 7.664 1.00 0.00 C ATOM 206 C TYR A 13 -2.061 3.791 7.651 1.00 0.00 C ATOM 207 O TYR A 13 -1.319 3.991 8.611 1.00 0.00 O ATOM 208 CB TYR A 13 -2.471 1.387 6.864 1.00 0.00 C ATOM 209 CG TYR A 13 -2.989 0.069 7.401 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.319 -0.302 7.135 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.168 -0.775 8.177 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.831 -1.500 7.650 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.720 -1.920 8.777 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.050 -2.281 8.514 1.00 0.00 C ATOM 215 OH TYR A 13 -4.584 -3.400 9.072 1.00 0.00 O ATOM 0 H TYR A 13 -4.606 2.594 6.321 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.031 2.244 8.700 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.767 1.494 5.820 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.381 1.384 6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.947 0.338 6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.122 -0.543 8.309 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.826 -1.822 7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.119 -2.523 9.442 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.863 -4.006 9.343 1.00 0.00 H new ATOM 225 N ALA A 14 -2.082 4.620 6.601 1.00 0.00 N ATOM 226 CA ALA A 14 -1.225 5.797 6.553 1.00 0.00 C ATOM 227 C ALA A 14 -1.386 6.652 7.811 1.00 0.00 C ATOM 228 O ALA A 14 -0.405 7.168 8.332 1.00 0.00 O ATOM 229 CB ALA A 14 -1.524 6.600 5.291 1.00 0.00 C ATOM 0 H ALA A 14 -2.679 4.495 5.783 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.185 5.473 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.881 7.480 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.337 5.981 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.568 6.914 5.298 1.00 0.00 H new ATOM 235 N ALA A 15 -2.616 6.788 8.315 1.00 0.00 N ATOM 236 CA ALA A 15 -2.925 7.558 9.514 1.00 0.00 C ATOM 237 C ALA A 15 -2.124 7.124 10.747 1.00 0.00 C ATOM 238 O ALA A 15 -1.935 7.936 11.649 1.00 0.00 O ATOM 239 CB ALA A 15 -4.429 7.511 9.793 1.00 0.00 C ATOM 0 H ALA A 15 -3.437 6.357 7.890 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.622 8.586 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.651 8.089 10.690 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.970 7.934 8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.739 6.477 9.941 1.00 0.00 H new ATOM 245 N LYS A 16 -1.651 5.875 10.818 1.00 0.00 N ATOM 246 CA LYS A 16 -0.852 5.429 11.949 1.00 0.00 C ATOM 247 C LYS A 16 0.537 6.066 11.849 1.00 0.00 C ATOM 248 O LYS A 16 1.111 6.494 12.848 1.00 0.00 O ATOM 249 CB LYS A 16 -0.752 3.896 11.939 1.00 0.00 C ATOM 250 CG LYS A 16 -1.515 3.243 13.099 1.00 0.00 C ATOM 251 CD LYS A 16 -3.038 3.431 13.017 1.00 0.00 C ATOM 252 CE LYS A 16 -3.637 2.662 11.835 1.00 0.00 C ATOM 253 NZ LYS A 16 -5.102 2.799 11.794 1.00 0.00 N ATOM 0 H LYS A 16 -1.810 5.163 10.106 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.319 5.733 12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.142 3.517 10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.297 3.604 11.990 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.289 2.177 13.117 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.156 3.660 14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.498 3.090 13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.270 4.491 12.917 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.209 3.032 10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.370 1.608 11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.541 1.859 11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.417 3.395 12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.384 3.239 10.895 1.00 0.00 H new ATOM 267 N GLU A 17 1.072 6.115 10.630 1.00 0.00 N ATOM 268 CA GLU A 17 2.373 6.680 10.334 1.00 0.00 C ATOM 269 C GLU A 17 2.297 8.210 10.320 1.00 0.00 C ATOM 270 O GLU A 17 1.228 8.812 10.259 1.00 0.00 O ATOM 271 CB GLU A 17 2.835 6.106 8.983 1.00 0.00 C ATOM 272 CG GLU A 17 4.235 6.527 8.519 1.00 0.00 C ATOM 273 CD GLU A 17 5.307 6.219 9.560 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.697 5.035 9.650 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.706 7.176 10.259 1.00 0.00 O ATOM 0 H GLU A 17 0.595 5.752 9.805 1.00 0.00 H new ATOM 0 HA GLU A 17 3.100 6.415 11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.805 5.018 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.116 6.403 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.477 6.013 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.238 7.595 8.303 1.00 0.00 H new ATOM 282 N GLY A 18 3.464 8.851 10.366 1.00 0.00 N ATOM 283 CA GLY A 18 3.571 10.294 10.290 1.00 0.00 C ATOM 284 C GLY A 18 3.063 10.725 8.916 1.00 0.00 C ATOM 285 O GLY A 18 3.574 10.251 7.905 1.00 0.00 O ATOM 0 H GLY A 18 4.362 8.375 10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.984 10.763 11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.605 10.609 10.432 1.00 0.00 H new ATOM 289 N ASP A 19 2.065 11.614 8.896 1.00 0.00 N ATOM 290 CA ASP A 19 1.394 12.150 7.719 1.00 0.00 C ATOM 291 C ASP A 19 0.419 11.118 7.127 1.00 0.00 C ATOM 292 O ASP A 19 0.862 10.145 6.517 1.00 0.00 O ATOM 293 CB ASP A 19 2.396 12.663 6.675 1.00 0.00 C ATOM 294 CG ASP A 19 1.728 13.504 5.591 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.517 13.293 5.357 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.443 14.355 5.020 1.00 0.00 O ATOM 0 H ASP A 19 1.684 12.000 9.760 1.00 0.00 H new ATOM 0 HA ASP A 19 0.807 13.013 8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.162 13.258 7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.901 11.815 6.213 1.00 0.00 H new ATOM 301 N PRO A 20 -0.909 11.315 7.262 1.00 0.00 N ATOM 302 CA PRO A 20 -1.907 10.381 6.750 1.00 0.00 C ATOM 303 C PRO A 20 -1.869 10.204 5.229 1.00 0.00 C ATOM 304 O PRO A 20 -2.584 9.361 4.698 1.00 0.00 O ATOM 305 CB PRO A 20 -3.265 10.896 7.240 1.00 0.00 C ATOM 306 CG PRO A 20 -3.024 12.388 7.442 1.00 0.00 C ATOM 307 CD PRO A 20 -1.569 12.442 7.907 1.00 0.00 C ATOM 0 HA PRO A 20 -1.700 9.379 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.052 10.711 6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.569 10.409 8.166 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.174 12.949 6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.701 12.809 8.185 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.102 13.385 7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.501 12.367 8.992 1.00 0.00 H new ATOM 315 N ASN A 21 -1.050 10.970 4.506 1.00 0.00 N ATOM 316 CA ASN A 21 -0.903 10.816 3.075 1.00 0.00 C ATOM 317 C ASN A 21 0.119 9.723 2.751 1.00 0.00 C ATOM 318 O ASN A 21 0.121 9.252 1.616 1.00 0.00 O ATOM 319 CB ASN A 21 -0.470 12.157 2.483 1.00 0.00 C ATOM 320 CG ASN A 21 -0.103 12.046 1.010 1.00 0.00 C ATOM 321 OD1 ASN A 21 -0.953 11.892 0.144 1.00 0.00 O ATOM 322 ND2 ASN A 21 1.180 12.119 0.696 1.00 0.00 N ATOM 0 H ASN A 21 -0.474 11.712 4.905 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.855 10.514 2.638 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.276 12.881 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.385 12.539 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.471 12.047 -0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.878 12.248 1.429 1.00 0.00 H new ATOM 329 N GLN A 22 0.983 9.310 3.699 1.00 0.00 N ATOM 330 CA GLN A 22 2.021 8.319 3.424 1.00 0.00 C ATOM 331 C GLN A 22 1.950 7.003 4.212 1.00 0.00 C ATOM 332 O GLN A 22 1.637 6.974 5.396 1.00 0.00 O ATOM 333 CB GLN A 22 3.421 8.902 3.647 1.00 0.00 C ATOM 334 CG GLN A 22 3.924 9.881 2.581 1.00 0.00 C ATOM 335 CD GLN A 22 3.917 11.299 3.123 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.043 12.097 2.809 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.895 11.635 3.949 1.00 0.00 N ATOM 0 H GLN A 22 0.976 9.652 4.660 1.00 0.00 H new ATOM 0 HA GLN A 22 1.828 8.071 2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.431 9.411 4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.129 8.076 3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.933 9.607 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.293 9.820 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.612 10.952 4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.932 12.577 4.339 1.00 0.00 H new ATOM 346 N LEU A 23 2.308 5.913 3.525 1.00 0.00 N ATOM 347 CA LEU A 23 2.446 4.556 4.040 1.00 0.00 C ATOM 348 C LEU A 23 3.933 4.228 4.130 1.00 0.00 C ATOM 349 O LEU A 23 4.558 3.990 3.103 1.00 0.00 O ATOM 350 CB LEU A 23 1.856 3.561 3.034 1.00 0.00 C ATOM 351 CG LEU A 23 0.369 3.275 3.205 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.052 2.306 2.094 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.016 2.639 4.551 1.00 0.00 C ATOM 0 H LEU A 23 2.522 5.964 2.529 1.00 0.00 H new ATOM 0 HA LEU A 23 1.943 4.488 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.023 3.944 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.402 2.621 3.113 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.154 4.230 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.114 2.082 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.136 2.763 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.523 1.384 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.059 2.465 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.543 1.690 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.312 3.308 5.359 1.00 0.00 H new ATOM 365 N SER A 24 4.536 4.181 5.314 1.00 0.00 N ATOM 366 CA SER A 24 5.949 3.824 5.381 1.00 0.00 C ATOM 367 C SER A 24 6.119 2.369 4.952 1.00 0.00 C ATOM 368 O SER A 24 5.155 1.610 4.916 1.00 0.00 O ATOM 369 CB SER A 24 6.509 4.025 6.790 1.00 0.00 C ATOM 370 OG SER A 24 5.817 3.200 7.708 1.00 0.00 O ATOM 0 H SER A 24 4.089 4.378 6.209 1.00 0.00 H new ATOM 0 HA SER A 24 6.505 4.477 4.708 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.573 3.787 6.805 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.412 5.070 7.083 1.00 0.00 H new ATOM 0 HG SER A 24 5.853 3.602 8.601 1.00 0.00 H new ATOM 376 N LYS A 25 7.350 1.967 4.647 1.00 0.00 N ATOM 377 CA LYS A 25 7.678 0.584 4.330 1.00 0.00 C ATOM 378 C LYS A 25 7.117 -0.304 5.446 1.00 0.00 C ATOM 379 O LYS A 25 6.369 -1.252 5.211 1.00 0.00 O ATOM 380 CB LYS A 25 9.202 0.519 4.138 1.00 0.00 C ATOM 381 CG LYS A 25 9.827 -0.827 4.497 1.00 0.00 C ATOM 382 CD LYS A 25 11.282 -0.962 4.039 1.00 0.00 C ATOM 383 CE LYS A 25 12.208 0.179 4.484 1.00 0.00 C ATOM 384 NZ LYS A 25 12.197 1.308 3.533 1.00 0.00 N ATOM 0 H LYS A 25 8.151 2.597 4.613 1.00 0.00 H new ATOM 0 HA LYS A 25 7.229 0.216 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.435 0.748 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.666 1.295 4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.779 -0.965 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.236 -1.625 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.681 -1.903 4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.301 -1.023 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.900 0.532 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.225 -0.199 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.150 1.438 3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.527 1.107 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.906 2.175 4.027 1.00 0.00 H new ATOM 398 N GLU A 26 7.474 0.052 6.677 1.00 0.00 N ATOM 399 CA GLU A 26 6.971 -0.590 7.882 1.00 0.00 C ATOM 400 C GLU A 26 5.431 -0.629 7.865 1.00 0.00 C ATOM 401 O GLU A 26 4.839 -1.687 8.056 1.00 0.00 O ATOM 402 CB GLU A 26 7.512 0.153 9.111 1.00 0.00 C ATOM 403 CG GLU A 26 7.125 -0.546 10.419 1.00 0.00 C ATOM 404 CD GLU A 26 7.738 0.166 11.620 1.00 0.00 C ATOM 405 OE1 GLU A 26 7.093 1.121 12.102 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.846 -0.250 12.023 1.00 0.00 O ATOM 0 H GLU A 26 8.132 0.808 6.865 1.00 0.00 H new ATOM 0 HA GLU A 26 7.317 -1.623 7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.598 0.222 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.127 1.173 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.040 -0.565 10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.462 -1.582 10.395 1.00 0.00 H new ATOM 413 N GLU A 27 4.765 0.507 7.639 1.00 0.00 N ATOM 414 CA GLU A 27 3.306 0.558 7.614 1.00 0.00 C ATOM 415 C GLU A 27 2.720 -0.387 6.556 1.00 0.00 C ATOM 416 O GLU A 27 1.732 -1.079 6.804 1.00 0.00 O ATOM 417 CB GLU A 27 2.845 2.006 7.398 1.00 0.00 C ATOM 418 CG GLU A 27 1.373 2.236 7.755 1.00 0.00 C ATOM 419 CD GLU A 27 1.075 2.069 9.243 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.856 2.623 10.046 1.00 0.00 O ATOM 421 OE2 GLU A 27 0.072 1.389 9.549 1.00 0.00 O ATOM 0 H GLU A 27 5.218 1.405 7.470 1.00 0.00 H new ATOM 0 HA GLU A 27 2.930 0.211 8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.465 2.670 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.005 2.279 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.085 3.240 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.756 1.538 7.188 1.00 0.00 H new ATOM 428 N LEU A 28 3.323 -0.425 5.366 1.00 0.00 N ATOM 429 CA LEU A 28 2.862 -1.292 4.297 1.00 0.00 C ATOM 430 C LEU A 28 2.853 -2.747 4.767 1.00 0.00 C ATOM 431 O LEU A 28 1.921 -3.482 4.455 1.00 0.00 O ATOM 432 CB LEU A 28 3.751 -1.118 3.058 1.00 0.00 C ATOM 433 CG LEU A 28 3.164 -1.799 1.809 1.00 0.00 C ATOM 434 CD1 LEU A 28 1.947 -1.047 1.258 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.235 -1.906 0.720 1.00 0.00 C ATOM 0 H LEU A 28 4.136 0.141 5.124 1.00 0.00 H new ATOM 0 HA LEU A 28 1.843 -1.016 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.886 -0.055 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.738 -1.532 3.263 1.00 0.00 H new ATOM 0 HG LEU A 28 2.833 -2.794 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.567 -1.565 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.168 -1.008 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.239 -0.033 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.812 -2.389 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.584 -0.908 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.073 -2.497 1.090 1.00 0.00 H new ATOM 447 N LYS A 29 3.876 -3.167 5.520 1.00 0.00 N ATOM 448 CA LYS A 29 3.964 -4.538 6.014 1.00 0.00 C ATOM 449 C LYS A 29 2.659 -4.928 6.709 1.00 0.00 C ATOM 450 O LYS A 29 1.947 -5.821 6.247 1.00 0.00 O ATOM 451 CB LYS A 29 5.171 -4.706 6.951 1.00 0.00 C ATOM 452 CG LYS A 29 5.284 -6.109 7.564 1.00 0.00 C ATOM 453 CD LYS A 29 5.816 -7.125 6.549 1.00 0.00 C ATOM 454 CE LYS A 29 5.787 -8.545 7.119 1.00 0.00 C ATOM 455 NZ LYS A 29 6.264 -9.529 6.133 1.00 0.00 N ATOM 0 H LYS A 29 4.655 -2.571 5.799 1.00 0.00 H new ATOM 0 HA LYS A 29 4.114 -5.208 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.084 -4.486 6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.101 -3.972 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.946 -6.077 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.306 -6.430 7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.216 -7.083 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.837 -6.863 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.409 -8.593 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.771 -8.796 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.232 -10.481 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.655 -9.499 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.242 -9.302 5.862 1.00 0.00 H new ATOM 469 N LEU A 30 2.352 -4.264 7.824 1.00 0.00 N ATOM 470 CA LEU A 30 1.135 -4.513 8.581 1.00 0.00 C ATOM 471 C LEU A 30 -0.098 -4.461 7.668 1.00 0.00 C ATOM 472 O LEU A 30 -0.958 -5.335 7.748 1.00 0.00 O ATOM 473 CB LEU A 30 0.975 -3.586 9.800 1.00 0.00 C ATOM 474 CG LEU A 30 1.936 -2.401 9.974 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.297 -1.363 10.905 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.268 -2.832 10.591 1.00 0.00 C ATOM 0 H LEU A 30 2.945 -3.537 8.225 1.00 0.00 H new ATOM 0 HA LEU A 30 1.223 -5.521 8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.038 -3.185 9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.052 -4.204 10.694 1.00 0.00 H new ATOM 0 HG LEU A 30 2.126 -1.985 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.976 -0.520 11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.361 -1.013 10.471 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.099 -1.818 11.876 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.918 -1.963 10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.089 -3.273 11.572 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.747 -3.567 9.945 1.00 0.00 H new ATOM 488 N LEU A 31 -0.189 -3.448 6.803 1.00 0.00 N ATOM 489 CA LEU A 31 -1.298 -3.298 5.863 1.00 0.00 C ATOM 490 C LEU A 31 -1.530 -4.592 5.077 1.00 0.00 C ATOM 491 O LEU A 31 -2.621 -5.169 5.090 1.00 0.00 O ATOM 492 CB LEU A 31 -0.991 -2.141 4.895 1.00 0.00 C ATOM 493 CG LEU A 31 -2.225 -1.443 4.308 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.809 -0.532 3.155 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.307 -2.384 3.796 1.00 0.00 C ATOM 0 H LEU A 31 0.508 -2.707 6.736 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.206 -3.078 6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.387 -1.400 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.384 -2.525 4.075 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.654 -0.884 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.690 -0.040 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.110 0.221 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.329 -1.126 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.139 -1.801 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.897 -3.014 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.661 -3.011 4.614 1.00 0.00 H new ATOM 507 N LEU A 32 -0.478 -5.038 4.391 1.00 0.00 N ATOM 508 CA LEU A 32 -0.517 -6.212 3.537 1.00 0.00 C ATOM 509 C LEU A 32 -0.918 -7.424 4.356 1.00 0.00 C ATOM 510 O LEU A 32 -1.795 -8.192 3.975 1.00 0.00 O ATOM 511 CB LEU A 32 0.851 -6.464 2.892 1.00 0.00 C ATOM 512 CG LEU A 32 1.274 -5.386 1.894 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.759 -5.567 1.565 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.457 -5.441 0.598 1.00 0.00 C ATOM 0 H LEU A 32 0.435 -4.584 4.417 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.248 -6.039 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.604 -6.534 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.830 -7.428 2.383 1.00 0.00 H new ATOM 0 HG LEU A 32 1.093 -4.415 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.070 -4.802 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.348 -5.474 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.918 -6.554 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.795 -4.656 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.593 -6.413 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.598 -5.294 0.827 1.00 0.00 H new ATOM 526 N GLN A 33 -0.260 -7.579 5.495 1.00 0.00 N ATOM 527 CA GLN A 33 -0.469 -8.683 6.397 1.00 0.00 C ATOM 528 C GLN A 33 -1.926 -8.747 6.856 1.00 0.00 C ATOM 529 O GLN A 33 -2.508 -9.826 6.898 1.00 0.00 O ATOM 530 CB GLN A 33 0.487 -8.462 7.570 1.00 0.00 C ATOM 531 CG GLN A 33 1.872 -9.114 7.437 1.00 0.00 C ATOM 532 CD GLN A 33 2.373 -9.358 6.014 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.508 -10.492 5.577 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.676 -8.319 5.258 1.00 0.00 N ATOM 0 H GLN A 33 0.449 -6.921 5.818 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.268 -9.638 5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.623 -7.389 7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.014 -8.841 8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.597 -8.484 7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.852 -10.070 7.961 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.563 -7.373 5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.023 -8.462 4.309 1.00 0.00 H new ATOM 543 N THR A 34 -2.515 -7.603 7.208 1.00 0.00 N ATOM 544 CA THR A 34 -3.881 -7.581 7.705 1.00 0.00 C ATOM 545 C THR A 34 -4.916 -7.870 6.616 1.00 0.00 C ATOM 546 O THR A 34 -5.726 -8.779 6.777 1.00 0.00 O ATOM 547 CB THR A 34 -4.220 -6.243 8.387 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.199 -5.793 9.260 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.507 -6.401 9.211 1.00 0.00 C ATOM 0 H THR A 34 -2.067 -6.688 7.157 1.00 0.00 H new ATOM 0 HA THR A 34 -3.933 -8.383 8.441 1.00 0.00 H new ATOM 0 HB THR A 34 -4.336 -5.508 7.590 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.407 -5.546 8.738 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.748 -5.454 9.694 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.326 -6.692 8.554 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.361 -7.169 9.970 1.00 0.00 H new ATOM 557 N GLU A 35 -4.929 -7.077 5.536 1.00 0.00 N ATOM 558 CA GLU A 35 -5.988 -7.165 4.529 1.00 0.00 C ATOM 559 C GLU A 35 -5.607 -7.801 3.194 1.00 0.00 C ATOM 560 O GLU A 35 -6.488 -7.980 2.357 1.00 0.00 O ATOM 561 CB GLU A 35 -6.603 -5.772 4.336 1.00 0.00 C ATOM 562 CG GLU A 35 -7.238 -5.280 5.648 1.00 0.00 C ATOM 563 CD GLU A 35 -8.020 -3.983 5.479 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.620 -3.807 4.398 1.00 0.00 O ATOM 565 OE2 GLU A 35 -8.014 -3.191 6.448 1.00 0.00 O ATOM 0 H GLU A 35 -4.220 -6.371 5.340 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.719 -7.869 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.835 -5.070 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.357 -5.806 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.903 -6.052 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.455 -5.132 6.392 1.00 0.00 H new ATOM 572 N PHE A 36 -4.341 -8.155 2.967 1.00 0.00 N ATOM 573 CA PHE A 36 -3.916 -8.763 1.714 1.00 0.00 C ATOM 574 C PHE A 36 -2.994 -9.966 1.957 1.00 0.00 C ATOM 575 O PHE A 36 -2.015 -10.097 1.228 1.00 0.00 O ATOM 576 CB PHE A 36 -3.199 -7.687 0.875 1.00 0.00 C ATOM 577 CG PHE A 36 -3.999 -6.421 0.614 1.00 0.00 C ATOM 578 CD1 PHE A 36 -4.060 -5.404 1.586 1.00 0.00 C ATOM 579 CD2 PHE A 36 -4.724 -6.276 -0.584 1.00 0.00 C ATOM 580 CE1 PHE A 36 -4.854 -4.266 1.366 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.491 -5.120 -0.814 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.531 -4.099 0.150 1.00 0.00 C ATOM 0 H PHE A 36 -3.589 -8.028 3.644 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.789 -9.137 1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.273 -7.413 1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.921 -8.124 -0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.496 -5.499 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.691 -7.056 -1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.943 -3.516 2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.050 -5.017 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.081 -3.190 -0.045 1.00 0.00 H new ATOM 592 N PRO A 37 -3.261 -10.857 2.934 1.00 0.00 N ATOM 593 CA PRO A 37 -2.387 -11.986 3.234 1.00 0.00 C ATOM 594 C PRO A 37 -2.197 -12.909 2.028 1.00 0.00 C ATOM 595 O PRO A 37 -1.121 -13.463 1.831 1.00 0.00 O ATOM 596 CB PRO A 37 -3.019 -12.705 4.431 1.00 0.00 C ATOM 597 CG PRO A 37 -4.487 -12.290 4.371 1.00 0.00 C ATOM 598 CD PRO A 37 -4.406 -10.865 3.829 1.00 0.00 C ATOM 0 HA PRO A 37 -1.380 -11.647 3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.905 -13.786 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.556 -12.402 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.066 -12.941 3.716 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.959 -12.324 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.320 -10.593 3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.278 -10.144 4.637 1.00 0.00 H new ATOM 702 N THR A 45 9.653 -9.462 -2.383 1.00 0.00 N ATOM 703 CA THR A 45 9.969 -9.279 -0.975 1.00 0.00 C ATOM 704 C THR A 45 9.246 -8.010 -0.536 1.00 0.00 C ATOM 705 O THR A 45 8.876 -7.196 -1.378 1.00 0.00 O ATOM 706 CB THR A 45 11.485 -9.163 -0.733 1.00 0.00 C ATOM 707 OG1 THR A 45 11.966 -7.882 -1.094 1.00 0.00 O ATOM 708 CG2 THR A 45 12.281 -10.239 -1.479 1.00 0.00 C ATOM 0 HA THR A 45 9.644 -10.144 -0.396 1.00 0.00 H new ATOM 0 HB THR A 45 11.634 -9.315 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.066 -7.332 -0.289 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.344 -10.112 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.962 -11.226 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.104 -10.145 -2.550 1.00 0.00 H new ATOM 716 N LEU A 46 9.047 -7.825 0.769 1.00 0.00 N ATOM 717 CA LEU A 46 8.393 -6.632 1.290 1.00 0.00 C ATOM 718 C LEU A 46 9.101 -5.384 0.768 1.00 0.00 C ATOM 719 O LEU A 46 8.461 -4.460 0.282 1.00 0.00 O ATOM 720 CB LEU A 46 8.415 -6.681 2.824 1.00 0.00 C ATOM 721 CG LEU A 46 7.760 -5.494 3.554 1.00 0.00 C ATOM 722 CD1 LEU A 46 8.597 -4.211 3.601 1.00 0.00 C ATOM 723 CD2 LEU A 46 6.343 -5.191 3.056 1.00 0.00 C ATOM 0 H LEU A 46 9.332 -8.492 1.486 1.00 0.00 H new ATOM 0 HA LEU A 46 7.357 -6.595 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.917 -7.596 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.453 -6.752 3.149 1.00 0.00 H new ATOM 0 HG LEU A 46 7.697 -5.848 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.047 -3.437 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.538 -4.409 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.803 -3.873 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.936 -4.345 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.375 -4.949 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.709 -6.064 3.210 1.00 0.00 H new ATOM 735 N ASP A 47 10.429 -5.371 0.870 1.00 0.00 N ATOM 736 CA ASP A 47 11.269 -4.266 0.468 1.00 0.00 C ATOM 737 C ASP A 47 11.179 -4.061 -1.033 1.00 0.00 C ATOM 738 O ASP A 47 10.950 -2.942 -1.455 1.00 0.00 O ATOM 739 CB ASP A 47 12.717 -4.487 0.910 1.00 0.00 C ATOM 740 CG ASP A 47 13.568 -3.282 0.520 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.412 -2.240 1.194 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.344 -3.423 -0.448 1.00 0.00 O ATOM 0 H ASP A 47 10.957 -6.158 1.247 1.00 0.00 H new ATOM 0 HA ASP A 47 10.912 -3.362 0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.758 -4.639 1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.114 -5.390 0.446 1.00 0.00 H new ATOM 747 N GLU A 48 11.343 -5.108 -1.843 1.00 0.00 N ATOM 748 CA GLU A 48 11.264 -4.959 -3.293 1.00 0.00 C ATOM 749 C GLU A 48 9.886 -4.425 -3.693 1.00 0.00 C ATOM 750 O GLU A 48 9.774 -3.506 -4.502 1.00 0.00 O ATOM 751 CB GLU A 48 11.591 -6.295 -3.968 1.00 0.00 C ATOM 752 CG GLU A 48 13.069 -6.666 -3.777 1.00 0.00 C ATOM 753 CD GLU A 48 13.992 -5.790 -4.618 1.00 0.00 C ATOM 754 OE1 GLU A 48 13.986 -5.982 -5.853 1.00 0.00 O ATOM 755 OE2 GLU A 48 14.683 -4.942 -4.011 1.00 0.00 O ATOM 0 H GLU A 48 11.529 -6.058 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 48 12.001 -4.231 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.959 -7.080 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.363 -6.233 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.335 -6.566 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.218 -7.712 -4.046 1.00 0.00 H new ATOM 762 N LEU A 49 8.829 -4.989 -3.112 1.00 0.00 N ATOM 763 CA LEU A 49 7.459 -4.576 -3.362 1.00 0.00 C ATOM 764 C LEU A 49 7.283 -3.103 -2.991 1.00 0.00 C ATOM 765 O LEU A 49 6.907 -2.286 -3.828 1.00 0.00 O ATOM 766 CB LEU A 49 6.518 -5.512 -2.589 1.00 0.00 C ATOM 767 CG LEU A 49 5.061 -5.042 -2.550 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.468 -4.891 -3.958 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.225 -6.050 -1.754 1.00 0.00 C ATOM 0 H LEU A 49 8.907 -5.757 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 49 7.211 -4.656 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.557 -6.503 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.883 -5.614 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 49 5.039 -4.063 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.433 -4.556 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.047 -4.158 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.502 -5.852 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.187 -5.719 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.280 -7.027 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.612 -6.122 -0.738 1.00 0.00 H new ATOM 781 N PHE A 50 7.569 -2.751 -1.740 1.00 0.00 N ATOM 782 CA PHE A 50 7.496 -1.392 -1.249 1.00 0.00 C ATOM 783 C PHE A 50 8.368 -0.497 -2.127 1.00 0.00 C ATOM 784 O PHE A 50 7.983 0.631 -2.387 1.00 0.00 O ATOM 785 CB PHE A 50 7.963 -1.367 0.209 1.00 0.00 C ATOM 786 CG PHE A 50 8.450 -0.012 0.653 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.543 0.990 1.032 1.00 0.00 C ATOM 788 CD2 PHE A 50 9.807 0.296 0.471 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.019 2.274 1.340 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.268 1.604 0.698 1.00 0.00 C ATOM 791 CZ PHE A 50 9.377 2.587 1.159 1.00 0.00 C ATOM 0 H PHE A 50 7.863 -3.422 -1.031 1.00 0.00 H new ATOM 0 HA PHE A 50 6.472 -1.020 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.141 -1.679 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.764 -2.095 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.486 0.774 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.497 -0.473 0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.339 3.024 1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.304 1.852 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.735 3.583 1.374 1.00 0.00 H new ATOM 801 N GLU A 51 9.527 -0.972 -2.586 1.00 0.00 N ATOM 802 CA GLU A 51 10.395 -0.160 -3.435 1.00 0.00 C ATOM 803 C GLU A 51 9.716 0.118 -4.773 1.00 0.00 C ATOM 804 O GLU A 51 9.736 1.254 -5.237 1.00 0.00 O ATOM 805 CB GLU A 51 11.774 -0.806 -3.635 1.00 0.00 C ATOM 806 CG GLU A 51 12.714 -0.589 -2.441 1.00 0.00 C ATOM 807 CD GLU A 51 13.243 0.841 -2.382 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.067 1.176 -3.261 1.00 0.00 O ATOM 809 OE2 GLU A 51 12.819 1.572 -1.462 1.00 0.00 O ATOM 0 H GLU A 51 9.883 -1.907 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 51 10.564 0.789 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.648 -1.876 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.235 -0.396 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.184 -0.818 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.552 -1.283 -2.508 1.00 0.00 H new ATOM 816 N GLU A 52 9.100 -0.895 -5.390 1.00 0.00 N ATOM 817 CA GLU A 52 8.378 -0.701 -6.641 1.00 0.00 C ATOM 818 C GLU A 52 7.305 0.356 -6.390 1.00 0.00 C ATOM 819 O GLU A 52 7.099 1.273 -7.177 1.00 0.00 O ATOM 820 CB GLU A 52 7.743 -2.030 -7.089 1.00 0.00 C ATOM 821 CG GLU A 52 6.659 -1.825 -8.160 1.00 0.00 C ATOM 822 CD GLU A 52 6.050 -3.147 -8.615 1.00 0.00 C ATOM 823 OE1 GLU A 52 5.489 -3.846 -7.744 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.134 -3.426 -9.831 1.00 0.00 O ATOM 0 H GLU A 52 9.089 -1.853 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 52 9.049 -0.371 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.519 -2.687 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.307 -2.532 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.874 -1.182 -7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.090 -1.310 -9.018 1.00 0.00 H new ATOM 831 N LEU A 53 6.612 0.187 -5.271 1.00 0.00 N ATOM 832 CA LEU A 53 5.542 1.055 -4.840 1.00 0.00 C ATOM 833 C LEU A 53 6.008 2.480 -4.535 1.00 0.00 C ATOM 834 O LEU A 53 5.319 3.425 -4.905 1.00 0.00 O ATOM 835 CB LEU A 53 4.867 0.394 -3.633 1.00 0.00 C ATOM 836 CG LEU A 53 3.725 -0.506 -4.106 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.456 -1.572 -3.047 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.470 0.336 -4.352 1.00 0.00 C ATOM 0 H LEU A 53 6.790 -0.582 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 53 4.826 1.175 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.596 -0.192 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.484 1.157 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 53 4.001 -0.994 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.642 -2.217 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.355 -2.170 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.178 -1.091 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.659 -0.310 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.178 0.833 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.678 1.085 -5.116 1.00 0.00 H new ATOM 850 N ASP A 54 7.148 2.674 -3.870 1.00 0.00 N ATOM 851 CA ASP A 54 7.647 3.991 -3.502 1.00 0.00 C ATOM 852 C ASP A 54 8.299 4.619 -4.733 1.00 0.00 C ATOM 853 O ASP A 54 9.505 4.847 -4.762 1.00 0.00 O ATOM 854 CB ASP A 54 8.598 3.904 -2.290 1.00 0.00 C ATOM 855 CG ASP A 54 9.029 5.289 -1.784 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.586 6.293 -2.386 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.814 5.345 -0.810 1.00 0.00 O ATOM 0 H ASP A 54 7.754 1.910 -3.571 1.00 0.00 H new ATOM 0 HA ASP A 54 6.828 4.635 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.105 3.362 -1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.482 3.329 -2.566 1.00 0.00 H new ATOM 862 N LYS A 55 7.482 4.916 -5.746 1.00 0.00 N ATOM 863 CA LYS A 55 7.918 5.516 -7.000 1.00 0.00 C ATOM 864 C LYS A 55 8.664 6.825 -6.735 1.00 0.00 C ATOM 865 O LYS A 55 9.604 7.165 -7.447 1.00 0.00 O ATOM 866 CB LYS A 55 6.703 5.764 -7.907 1.00 0.00 C ATOM 867 CG LYS A 55 6.003 4.474 -8.370 1.00 0.00 C ATOM 868 CD LYS A 55 6.872 3.558 -9.245 1.00 0.00 C ATOM 869 CE LYS A 55 7.368 4.242 -10.525 1.00 0.00 C ATOM 870 NZ LYS A 55 8.062 3.284 -11.402 1.00 0.00 N ATOM 0 H LYS A 55 6.478 4.741 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 55 8.600 4.830 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.984 6.386 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.024 6.327 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.679 3.916 -7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.105 4.742 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.731 3.219 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.298 2.671 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.524 4.682 -11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.042 5.058 -10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.387 3.772 -12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.880 2.884 -10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.409 2.519 -11.665 1.00 0.00 H new ATOM 884 N ASN A 56 8.240 7.557 -5.704 1.00 0.00 N ATOM 885 CA ASN A 56 8.850 8.819 -5.323 1.00 0.00 C ATOM 886 C ASN A 56 10.218 8.607 -4.662 1.00 0.00 C ATOM 887 O ASN A 56 11.051 9.504 -4.695 1.00 0.00 O ATOM 888 CB ASN A 56 7.891 9.572 -4.396 1.00 0.00 C ATOM 889 CG ASN A 56 8.354 11.003 -4.142 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.691 11.739 -5.058 1.00 0.00 O ATOM 891 ND2 ASN A 56 8.362 11.441 -2.895 1.00 0.00 N ATOM 0 H ASN A 56 7.458 7.284 -5.109 1.00 0.00 H new ATOM 0 HA ASN A 56 9.028 9.415 -6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.895 9.586 -4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.812 9.042 -3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.650 12.398 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.080 10.822 -2.135 1.00 0.00 H new ATOM 898 N GLY A 57 10.459 7.434 -4.063 1.00 0.00 N ATOM 899 CA GLY A 57 11.714 7.091 -3.409 1.00 0.00 C ATOM 900 C GLY A 57 12.004 8.074 -2.282 1.00 0.00 C ATOM 901 O GLY A 57 12.981 8.814 -2.351 1.00 0.00 O ATOM 0 H GLY A 57 9.768 6.685 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.661 6.077 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.527 7.108 -4.134 1.00 0.00 H new ATOM 905 N ASP A 58 11.156 8.085 -1.245 1.00 0.00 N ATOM 906 CA ASP A 58 11.299 9.029 -0.135 1.00 0.00 C ATOM 907 C ASP A 58 11.364 8.359 1.230 1.00 0.00 C ATOM 908 O ASP A 58 11.796 8.992 2.188 1.00 0.00 O ATOM 909 CB ASP A 58 10.180 10.081 -0.176 1.00 0.00 C ATOM 910 CG ASP A 58 8.783 9.513 0.067 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.538 9.040 1.198 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.971 9.589 -0.880 1.00 0.00 O ATOM 0 H ASP A 58 10.364 7.449 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 58 12.262 9.521 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.386 10.845 0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.196 10.576 -1.147 1.00 0.00 H new ATOM 917 N GLY A 59 10.934 7.102 1.333 1.00 0.00 N ATOM 918 CA GLY A 59 10.903 6.390 2.603 1.00 0.00 C ATOM 919 C GLY A 59 9.511 5.822 2.823 1.00 0.00 C ATOM 920 O GLY A 59 9.364 4.800 3.495 1.00 0.00 O ATOM 0 H GLY A 59 10.600 6.554 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.640 5.587 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.167 7.064 3.418 1.00 0.00 H new ATOM 924 N GLU A 60 8.484 6.463 2.254 1.00 0.00 N ATOM 925 CA GLU A 60 7.126 5.991 2.320 1.00 0.00 C ATOM 926 C GLU A 60 6.495 5.999 0.928 1.00 0.00 C ATOM 927 O GLU A 60 7.003 6.606 -0.005 1.00 0.00 O ATOM 928 CB GLU A 60 6.314 6.895 3.246 1.00 0.00 C ATOM 929 CG GLU A 60 6.978 7.315 4.566 1.00 0.00 C ATOM 930 CD GLU A 60 7.678 8.666 4.439 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.942 9.675 4.342 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.928 8.664 4.447 1.00 0.00 O ATOM 0 H GLU A 60 8.590 7.333 1.732 1.00 0.00 H new ATOM 0 HA GLU A 60 7.127 4.972 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.054 7.799 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.380 6.386 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.225 7.368 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.701 6.557 4.867 1.00 0.00 H new ATOM 939 N VAL A 61 5.354 5.330 0.841 1.00 0.00 N ATOM 940 CA VAL A 61 4.455 5.196 -0.289 1.00 0.00 C ATOM 941 C VAL A 61 3.348 6.214 0.003 1.00 0.00 C ATOM 942 O VAL A 61 3.321 6.787 1.086 1.00 0.00 O ATOM 943 CB VAL A 61 3.942 3.735 -0.319 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.769 3.482 -1.276 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.092 2.826 -0.759 1.00 0.00 C ATOM 0 H VAL A 61 5.001 4.815 1.648 1.00 0.00 H new ATOM 0 HA VAL A 61 4.901 5.387 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 61 3.582 3.526 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.480 2.432 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.923 4.105 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.070 3.729 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.749 1.792 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.430 3.122 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.917 2.916 -0.053 1.00 0.00 H new ATOM 955 N SER A 62 2.416 6.447 -0.913 1.00 0.00 N ATOM 956 CA SER A 62 1.280 7.341 -0.734 1.00 0.00 C ATOM 957 C SER A 62 0.191 6.819 -1.662 1.00 0.00 C ATOM 958 O SER A 62 0.509 6.027 -2.553 1.00 0.00 O ATOM 959 CB SER A 62 1.637 8.799 -1.032 1.00 0.00 C ATOM 960 OG SER A 62 2.069 8.942 -2.366 1.00 0.00 O ATOM 0 H SER A 62 2.431 6.004 -1.831 1.00 0.00 H new ATOM 0 HA SER A 62 0.946 7.345 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.770 9.435 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.421 9.133 -0.352 1.00 0.00 H new ATOM 0 HG SER A 62 2.983 8.599 -2.452 1.00 0.00 H new ATOM 966 N PHE A 63 -1.072 7.226 -1.483 1.00 0.00 N ATOM 967 CA PHE A 63 -2.147 6.741 -2.348 1.00 0.00 C ATOM 968 C PHE A 63 -1.761 6.903 -3.825 1.00 0.00 C ATOM 969 O PHE A 63 -2.014 6.021 -4.640 1.00 0.00 O ATOM 970 CB PHE A 63 -3.515 7.329 -1.984 1.00 0.00 C ATOM 971 CG PHE A 63 -4.662 6.895 -2.887 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.963 5.524 -3.043 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.446 7.854 -3.555 1.00 0.00 C ATOM 974 CE1 PHE A 63 -5.998 5.119 -3.909 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.556 7.452 -4.322 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.845 6.084 -4.481 1.00 0.00 C ATOM 0 H PHE A 63 -1.369 7.880 -0.758 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.269 5.672 -2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.753 7.048 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.445 8.416 -2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.398 4.783 -2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.195 8.902 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.140 4.072 -4.132 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.186 8.194 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.716 5.776 -5.041 1.00 0.00 H new ATOM 986 N GLU A 64 -1.106 8.020 -4.144 1.00 0.00 N ATOM 987 CA GLU A 64 -0.592 8.369 -5.461 1.00 0.00 C ATOM 988 C GLU A 64 0.120 7.205 -6.155 1.00 0.00 C ATOM 989 O GLU A 64 -0.078 6.955 -7.339 1.00 0.00 O ATOM 990 CB GLU A 64 0.445 9.495 -5.268 1.00 0.00 C ATOM 991 CG GLU A 64 0.846 10.149 -6.597 1.00 0.00 C ATOM 992 CD GLU A 64 -0.325 10.850 -7.281 1.00 0.00 C ATOM 993 OE1 GLU A 64 -1.034 11.596 -6.571 1.00 0.00 O ATOM 994 OE2 GLU A 64 -0.492 10.624 -8.499 1.00 0.00 O ATOM 0 H GLU A 64 -0.911 8.742 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.438 8.661 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.035 10.253 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.333 9.090 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.642 10.871 -6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.250 9.388 -7.265 1.00 0.00 H new ATOM 1001 N GLU A 65 0.979 6.522 -5.405 1.00 0.00 N ATOM 1002 CA GLU A 65 1.834 5.444 -5.888 1.00 0.00 C ATOM 1003 C GLU A 65 1.127 4.113 -5.656 1.00 0.00 C ATOM 1004 O GLU A 65 1.214 3.194 -6.464 1.00 0.00 O ATOM 1005 CB GLU A 65 3.213 5.486 -5.197 1.00 0.00 C ATOM 1006 CG GLU A 65 3.411 6.770 -4.387 1.00 0.00 C ATOM 1007 CD GLU A 65 4.809 7.047 -3.857 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.782 6.782 -4.590 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.861 7.571 -2.722 1.00 0.00 O ATOM 0 H GLU A 65 1.103 6.711 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 65 2.013 5.566 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.315 4.623 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.998 5.408 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.113 7.613 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.727 6.744 -3.539 1.00 0.00 H new ATOM 1016 N PHE A 66 0.410 4.031 -4.534 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.380 2.870 -4.123 1.00 0.00 C ATOM 1018 C PHE A 66 -1.270 2.344 -5.250 1.00 0.00 C ATOM 1019 O PHE A 66 -1.567 1.153 -5.281 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.240 3.241 -2.918 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.151 2.149 -2.406 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.702 1.238 -1.433 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.452 2.034 -2.933 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.564 0.234 -0.961 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.289 0.991 -2.501 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.856 0.105 -1.501 1.00 0.00 C ATOM 0 H PHE A 66 0.362 4.798 -3.863 1.00 0.00 H new ATOM 0 HA PHE A 66 0.316 2.074 -3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.582 3.551 -2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.850 4.105 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.695 1.310 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.805 2.744 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.234 -0.439 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.269 0.870 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.515 -0.674 -1.147 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.697 3.203 -6.183 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.498 2.756 -7.321 1.00 0.00 C ATOM 1038 C GLN A 67 -1.804 1.573 -8.028 1.00 0.00 C ATOM 1039 O GLN A 67 -2.460 0.699 -8.590 1.00 0.00 O ATOM 1040 CB GLN A 67 -2.877 3.865 -8.322 1.00 0.00 C ATOM 1041 CG GLN A 67 -2.781 5.344 -7.917 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.126 5.902 -7.491 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.029 6.095 -8.292 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.285 6.172 -6.215 1.00 0.00 N ATOM 0 H GLN A 67 -1.501 4.204 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.450 2.428 -6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.250 3.731 -9.204 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.906 3.682 -8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.068 5.451 -7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.395 5.926 -8.754 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.522 6.005 -5.559 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.172 6.548 -5.880 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.469 1.508 -7.982 1.00 0.00 N ATOM 1054 CA VAL A 68 0.280 0.386 -8.528 1.00 0.00 C ATOM 1055 C VAL A 68 -0.214 -0.896 -7.841 1.00 0.00 C ATOM 1056 O VAL A 68 -0.466 -1.898 -8.503 1.00 0.00 O ATOM 1057 CB VAL A 68 1.790 0.620 -8.343 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.607 -0.611 -8.752 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.259 1.808 -9.196 1.00 0.00 C ATOM 0 H VAL A 68 0.115 2.233 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 68 0.115 0.285 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 68 1.950 0.824 -7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.668 -0.408 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.314 -1.463 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.421 -0.839 -9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.329 1.959 -9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.059 1.602 -10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.722 2.707 -8.894 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.398 -0.886 -6.517 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.901 -2.060 -5.820 1.00 0.00 C ATOM 1071 C LEU A 69 -2.348 -2.315 -6.239 1.00 0.00 C ATOM 1072 O LEU A 69 -2.733 -3.470 -6.388 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.766 -1.947 -4.300 1.00 0.00 C ATOM 1074 CG LEU A 69 -1.128 -3.299 -3.655 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.034 -3.821 -2.814 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -2.412 -3.179 -2.835 1.00 0.00 C ATOM 0 H LEU A 69 -0.207 -0.084 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.287 -2.914 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.253 -1.665 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.423 -1.163 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.313 -4.025 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.241 -4.776 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.910 -3.956 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.263 -3.104 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.650 -4.144 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.273 -2.439 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.231 -2.868 -3.484 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.146 -1.259 -6.459 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.515 -1.422 -6.961 1.00 0.00 C ATOM 1090 C VAL A 70 -4.473 -2.284 -8.232 1.00 0.00 C ATOM 1091 O VAL A 70 -5.397 -3.047 -8.497 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.235 -0.077 -7.171 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.649 -0.283 -7.729 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.328 0.690 -5.848 1.00 0.00 C ATOM 0 H VAL A 70 -2.868 -0.291 -6.298 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.112 -1.935 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.652 0.497 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.131 0.685 -7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.590 -0.798 -8.688 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.232 -0.883 -7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.839 1.638 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.886 0.098 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.325 0.880 -5.466 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.388 -2.198 -9.008 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.197 -3.074 -10.148 1.00 0.00 C ATOM 1106 C LYS A 71 -2.685 -4.441 -9.657 1.00 0.00 C ATOM 1107 O LYS A 71 -3.218 -5.471 -10.072 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.252 -2.436 -11.179 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.131 -3.301 -12.440 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.200 -2.629 -13.458 1.00 0.00 C ATOM 1111 CE LYS A 71 -1.046 -3.473 -14.730 1.00 0.00 C ATOM 1112 NZ LYS A 71 -0.370 -4.757 -14.467 1.00 0.00 N ATOM 0 H LYS A 71 -2.634 -1.528 -8.860 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.150 -3.228 -10.655 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.621 -1.446 -11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.266 -2.298 -10.735 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.745 -4.286 -12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.116 -3.452 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.594 -1.647 -13.719 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.221 -2.470 -13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.030 -3.663 -15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.478 -2.910 -15.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.151 -5.225 -15.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.512 -4.584 -13.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.994 -5.368 -13.902 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.663 -4.495 -8.785 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.082 -5.744 -8.371 1.00 0.00 C ATOM 1128 C LYS A 72 -2.035 -6.694 -7.649 1.00 0.00 C ATOM 1129 O LYS A 72 -1.822 -7.905 -7.673 1.00 0.00 O ATOM 1130 CB LYS A 72 0.206 -5.537 -7.594 1.00 0.00 C ATOM 1131 CG LYS A 72 1.338 -4.771 -8.294 1.00 0.00 C ATOM 1132 CD LYS A 72 1.665 -5.373 -9.668 1.00 0.00 C ATOM 1133 CE LYS A 72 3.055 -4.963 -10.166 1.00 0.00 C ATOM 1134 NZ LYS A 72 3.180 -3.505 -10.317 1.00 0.00 N ATOM 0 H LYS A 72 -1.234 -3.672 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.842 -6.256 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.038 -5.009 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.589 -6.517 -7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.051 -3.726 -8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.230 -4.787 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.609 -6.460 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.914 -5.054 -10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.810 -5.321 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.253 -5.445 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.905 -3.291 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.268 -3.108 -10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.456 -3.084 -9.407 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.094 -6.186 -7.020 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.067 -7.066 -6.380 1.00 0.00 C ATOM 1150 C ILE A 73 -4.701 -7.985 -7.432 1.00 0.00 C ATOM 1151 O ILE A 73 -5.103 -9.099 -7.116 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.139 -6.270 -5.633 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.711 -5.146 -6.499 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.561 -5.688 -4.337 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.143 -4.794 -6.116 1.00 0.00 C ATOM 0 H ILE A 73 -3.297 -5.190 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.547 -7.675 -5.641 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.951 -6.956 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.083 -4.260 -6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.680 -5.446 -7.547 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.334 -5.124 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.210 -6.499 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.728 -5.027 -4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.505 -3.991 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.778 -5.671 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.172 -4.467 -5.077 1.00 0.00 H new ATOM 1167 N SER A 74 -4.751 -7.545 -8.696 1.00 0.00 N ATOM 1168 CA SER A 74 -5.252 -8.332 -9.810 1.00 0.00 C ATOM 1169 C SER A 74 -4.037 -8.911 -10.540 1.00 0.00 C ATOM 1170 O SER A 74 -4.061 -9.094 -11.752 1.00 0.00 O ATOM 1171 CB SER A 74 -6.076 -7.430 -10.735 1.00 0.00 C ATOM 1172 OG SER A 74 -7.118 -6.811 -10.004 1.00 0.00 O ATOM 0 H SER A 74 -4.437 -6.614 -8.969 1.00 0.00 H new ATOM 0 HA SER A 74 -5.899 -9.142 -9.472 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.434 -6.671 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.493 -8.018 -11.553 1.00 0.00 H new ATOM 0 HG SER A 74 -7.639 -6.235 -10.601 1.00 0.00 H new ATOM 1178 N GLN A 75 -2.949 -9.166 -9.806 1.00 0.00 N ATOM 1179 CA GLN A 75 -1.684 -9.668 -10.313 1.00 0.00 C ATOM 1180 C GLN A 75 -1.079 -10.624 -9.287 1.00 0.00 C ATOM 1181 O GLN A 75 -0.463 -11.625 -9.650 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.756 -8.466 -10.553 1.00 0.00 C ATOM 1183 CG GLN A 75 0.116 -8.642 -11.803 1.00 0.00 C ATOM 1184 CD GLN A 75 -0.554 -8.120 -13.078 1.00 0.00 C ATOM 1185 OE1 GLN A 75 0.121 -7.724 -14.017 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -1.877 -8.081 -13.159 1.00 0.00 N ATOM 0 H GLN A 75 -2.934 -9.019 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.823 -10.210 -11.248 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.356 -7.562 -10.656 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.115 -8.326 -9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.062 -8.120 -11.656 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.351 -9.699 -11.929 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.446 -8.410 -12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.326 -7.722 -14.002 1.00 0.00 H new