USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 542 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 29 LYS NZ :NH3+ -158:sc= 1.24 (180deg=-0.0384) USER MOD Set 1.2: A 33 GLN : amide:sc= 0.829 K(o=2.1,f=-12!) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= 0.951 F(o=0.58,f=2.1) USER MOD Set 2.2: A 22 GLN :FLIP amide:sc= 1.11 F(o=0.58,f=2.1) USER MOD Set 3.1: A 13 TYR OH : rot -5:sc= 1.3 USER MOD Set 3.2: A 34 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 2 SER OG : rot -36:sc= 0.231 USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 1.3 (180deg=1.24) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0.0189 (180deg=0.0179) USER MOD Single : A 24 SER OG : rot 144:sc= 0.851 USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.21) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 58:sc= 1.25 USER MOD Single : A 45 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.18 (180deg=-0.803) USER MOD Single : A 56 ASN : amide:sc= 0.642 K(o=0.64,f=-0.37) USER MOD Single : A 62 SER OG : rot -61:sc= 0.631 USER MOD Single : A 67 GLN : amide:sc= -1.65 X(o=-1.6,f=-2) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc=-0.00674 (180deg=-0.318) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 0.249 (180deg=-0.0735!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.715 K(o=-0.71,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 2 -15.439 3.163 2.087 1.00 0.00 N ATOM 24 CA SER A 2 -15.209 2.423 3.321 1.00 0.00 C ATOM 25 C SER A 2 -13.827 1.758 3.347 1.00 0.00 C ATOM 26 O SER A 2 -13.258 1.490 2.288 1.00 0.00 O ATOM 27 CB SER A 2 -16.333 1.384 3.464 1.00 0.00 C ATOM 28 OG SER A 2 -16.534 0.630 2.281 1.00 0.00 O ATOM 0 HA SER A 2 -15.223 3.112 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.095 0.708 4.285 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.260 1.892 3.728 1.00 0.00 H new ATOM 0 HG SER A 2 -16.388 1.203 1.499 1.00 0.00 H new ATOM 34 N PRO A 3 -13.291 1.442 4.540 1.00 0.00 N ATOM 35 CA PRO A 3 -12.000 0.782 4.682 1.00 0.00 C ATOM 36 C PRO A 3 -11.922 -0.508 3.868 1.00 0.00 C ATOM 37 O PRO A 3 -10.867 -0.841 3.336 1.00 0.00 O ATOM 38 CB PRO A 3 -11.819 0.516 6.181 1.00 0.00 C ATOM 39 CG PRO A 3 -13.230 0.619 6.757 1.00 0.00 C ATOM 40 CD PRO A 3 -13.876 1.664 5.855 1.00 0.00 C ATOM 0 HA PRO A 3 -11.200 1.413 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.387 -0.469 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.149 1.246 6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.756 -0.335 6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.221 0.933 7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.959 1.548 5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.672 2.673 6.212 1.00 0.00 H new ATOM 48 N GLU A 4 -13.038 -1.229 3.753 1.00 0.00 N ATOM 49 CA GLU A 4 -13.183 -2.395 2.923 1.00 0.00 C ATOM 50 C GLU A 4 -12.667 -2.179 1.495 1.00 0.00 C ATOM 51 O GLU A 4 -12.073 -3.094 0.922 1.00 0.00 O ATOM 52 CB GLU A 4 -14.667 -2.740 2.921 1.00 0.00 C ATOM 53 CG GLU A 4 -15.191 -3.242 4.277 1.00 0.00 C ATOM 54 CD GLU A 4 -16.609 -3.772 4.160 1.00 0.00 C ATOM 55 OE1 GLU A 4 -17.171 -3.709 3.039 1.00 0.00 O ATOM 56 OE2 GLU A 4 -17.171 -4.187 5.200 1.00 0.00 O ATOM 0 H GLU A 4 -13.891 -0.996 4.261 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.580 -3.210 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.235 -1.857 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.852 -3.504 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.537 -4.028 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.163 -2.430 5.003 1.00 0.00 H new ATOM 63 N GLU A 5 -12.885 -0.989 0.915 1.00 0.00 N ATOM 64 CA GLU A 5 -12.359 -0.692 -0.413 1.00 0.00 C ATOM 65 C GLU A 5 -10.844 -0.848 -0.391 1.00 0.00 C ATOM 66 O GLU A 5 -10.251 -1.576 -1.181 1.00 0.00 O ATOM 67 CB GLU A 5 -12.700 0.738 -0.849 1.00 0.00 C ATOM 68 CG GLU A 5 -14.202 0.948 -1.043 1.00 0.00 C ATOM 69 CD GLU A 5 -14.692 0.492 -2.414 1.00 0.00 C ATOM 70 OE1 GLU A 5 -14.418 -0.674 -2.787 1.00 0.00 O ATOM 71 OE2 GLU A 5 -15.388 1.289 -3.092 1.00 0.00 O ATOM 0 H GLU A 5 -13.415 -0.230 1.343 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.814 -1.385 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.332 1.440 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.181 0.964 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.743 0.403 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.436 2.004 -0.912 1.00 0.00 H new ATOM 78 N LEU A 6 -10.221 -0.149 0.552 1.00 0.00 N ATOM 79 CA LEU A 6 -8.774 -0.112 0.697 1.00 0.00 C ATOM 80 C LEU A 6 -8.224 -1.491 1.071 1.00 0.00 C ATOM 81 O LEU A 6 -7.146 -1.869 0.617 1.00 0.00 O ATOM 82 CB LEU A 6 -8.364 0.979 1.693 1.00 0.00 C ATOM 83 CG LEU A 6 -8.580 2.395 1.121 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.562 3.417 2.261 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.500 2.774 0.099 1.00 0.00 C ATOM 0 H LEU A 6 -10.715 0.414 1.245 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.329 0.147 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.941 0.867 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.315 0.852 1.959 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.545 2.399 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.715 4.417 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.358 3.187 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.600 3.376 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.692 3.779 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.521 2.746 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.519 2.066 -0.730 1.00 0.00 H new ATOM 97 N LYS A 7 -8.972 -2.259 1.866 1.00 0.00 N ATOM 98 CA LYS A 7 -8.668 -3.656 2.143 1.00 0.00 C ATOM 99 C LYS A 7 -8.637 -4.444 0.829 1.00 0.00 C ATOM 100 O LYS A 7 -7.677 -5.165 0.556 1.00 0.00 O ATOM 101 CB LYS A 7 -9.703 -4.195 3.143 1.00 0.00 C ATOM 102 CG LYS A 7 -9.215 -5.432 3.915 1.00 0.00 C ATOM 103 CD LYS A 7 -10.333 -5.930 4.849 1.00 0.00 C ATOM 104 CE LYS A 7 -9.895 -7.034 5.829 1.00 0.00 C ATOM 105 NZ LYS A 7 -9.261 -8.184 5.156 1.00 0.00 N ATOM 0 H LYS A 7 -9.811 -1.922 2.337 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.683 -3.764 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.956 -3.408 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.618 -4.447 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.931 -6.220 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.326 -5.184 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.717 -5.085 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.157 -6.305 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.197 -6.614 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.764 -7.381 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.049 -8.923 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.908 -8.565 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.378 -7.876 4.700 1.00 0.00 H new ATOM 119 N GLY A 8 -9.665 -4.267 -0.006 1.00 0.00 N ATOM 120 CA GLY A 8 -9.745 -4.884 -1.320 1.00 0.00 C ATOM 121 C GLY A 8 -8.528 -4.520 -2.164 1.00 0.00 C ATOM 122 O GLY A 8 -7.856 -5.398 -2.699 1.00 0.00 O ATOM 0 H GLY A 8 -10.471 -3.684 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.810 -5.967 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.654 -4.558 -1.825 1.00 0.00 H new ATOM 126 N ILE A 9 -8.233 -3.222 -2.269 1.00 0.00 N ATOM 127 CA ILE A 9 -7.101 -2.692 -3.021 1.00 0.00 C ATOM 128 C ILE A 9 -5.792 -3.325 -2.530 1.00 0.00 C ATOM 129 O ILE A 9 -5.024 -3.863 -3.330 1.00 0.00 O ATOM 130 CB ILE A 9 -7.097 -1.156 -2.901 1.00 0.00 C ATOM 131 CG1 ILE A 9 -8.333 -0.525 -3.577 1.00 0.00 C ATOM 132 CG2 ILE A 9 -5.798 -0.535 -3.426 1.00 0.00 C ATOM 133 CD1 ILE A 9 -8.161 -0.251 -5.076 1.00 0.00 C ATOM 0 H ILE A 9 -8.791 -2.495 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.193 -2.948 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.152 -0.929 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.187 -1.187 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.570 0.412 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.844 0.549 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.954 -0.920 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.671 -0.791 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.075 0.192 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.329 0.437 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.957 -1.187 -5.596 1.00 0.00 H new ATOM 145 N PHE A 10 -5.535 -3.270 -1.217 1.00 0.00 N ATOM 146 CA PHE A 10 -4.383 -3.919 -0.608 1.00 0.00 C ATOM 147 C PHE A 10 -4.296 -5.376 -1.077 1.00 0.00 C ATOM 148 O PHE A 10 -3.269 -5.786 -1.613 1.00 0.00 O ATOM 149 CB PHE A 10 -4.472 -3.831 0.924 1.00 0.00 C ATOM 150 CG PHE A 10 -3.346 -4.547 1.645 1.00 0.00 C ATOM 151 CD1 PHE A 10 -2.089 -3.932 1.793 1.00 0.00 C ATOM 152 CD2 PHE A 10 -3.462 -5.935 1.871 1.00 0.00 C ATOM 153 CE1 PHE A 10 -0.951 -4.730 2.019 1.00 0.00 C ATOM 154 CE2 PHE A 10 -2.312 -6.734 1.850 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.048 -6.124 1.892 1.00 0.00 C ATOM 0 H PHE A 10 -6.126 -2.771 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.474 -3.406 -0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.470 -2.782 1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.424 -4.252 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.998 -2.857 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.429 -6.377 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.010 -4.272 2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.397 -7.810 1.802 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.154 -6.726 1.827 1.00 0.00 H new ATOM 165 N GLU A 11 -5.373 -6.152 -0.898 1.00 0.00 N ATOM 166 CA GLU A 11 -5.402 -7.555 -1.296 1.00 0.00 C ATOM 167 C GLU A 11 -5.106 -7.699 -2.795 1.00 0.00 C ATOM 168 O GLU A 11 -4.381 -8.606 -3.202 1.00 0.00 O ATOM 169 CB GLU A 11 -6.756 -8.184 -0.915 1.00 0.00 C ATOM 170 CG GLU A 11 -6.655 -9.681 -0.560 1.00 0.00 C ATOM 171 CD GLU A 11 -6.410 -10.598 -1.748 1.00 0.00 C ATOM 172 OE1 GLU A 11 -7.350 -10.741 -2.570 1.00 0.00 O ATOM 173 OE2 GLU A 11 -5.331 -11.211 -1.836 1.00 0.00 O ATOM 0 H GLU A 11 -6.241 -5.822 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.621 -8.094 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.173 -7.644 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.452 -8.061 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.848 -9.817 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.577 -9.987 -0.066 1.00 0.00 H new ATOM 180 N LYS A 12 -5.667 -6.805 -3.618 1.00 0.00 N ATOM 181 CA LYS A 12 -5.467 -6.794 -5.055 1.00 0.00 C ATOM 182 C LYS A 12 -3.982 -6.848 -5.360 1.00 0.00 C ATOM 183 O LYS A 12 -3.523 -7.765 -6.043 1.00 0.00 O ATOM 184 CB LYS A 12 -6.136 -5.569 -5.722 1.00 0.00 C ATOM 185 CG LYS A 12 -6.446 -5.857 -7.198 1.00 0.00 C ATOM 186 CD LYS A 12 -6.558 -4.622 -8.115 1.00 0.00 C ATOM 187 CE LYS A 12 -7.621 -3.594 -7.695 1.00 0.00 C ATOM 188 NZ LYS A 12 -7.943 -2.644 -8.788 1.00 0.00 N ATOM 0 H LYS A 12 -6.281 -6.060 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.948 -7.676 -5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.056 -5.319 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.479 -4.703 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.667 -6.509 -7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.383 -6.411 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.588 -4.125 -8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.781 -4.959 -9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.528 -4.116 -7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.265 -3.039 -6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.651 -1.959 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.080 -2.139 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.324 -3.167 -9.602 1.00 0.00 H new ATOM 202 N TYR A 13 -3.229 -5.874 -4.851 1.00 0.00 N ATOM 203 CA TYR A 13 -1.814 -5.811 -5.158 1.00 0.00 C ATOM 204 C TYR A 13 -1.008 -6.849 -4.369 1.00 0.00 C ATOM 205 O TYR A 13 -0.085 -7.414 -4.942 1.00 0.00 O ATOM 206 CB TYR A 13 -1.317 -4.365 -5.081 1.00 0.00 C ATOM 207 CG TYR A 13 -1.856 -3.535 -6.233 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.130 -2.948 -6.140 1.00 0.00 C ATOM 209 CD2 TYR A 13 -1.175 -3.521 -7.463 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.724 -2.366 -7.270 1.00 0.00 C ATOM 211 CE2 TYR A 13 -1.805 -3.009 -8.609 1.00 0.00 C ATOM 212 CZ TYR A 13 -3.089 -2.459 -8.519 1.00 0.00 C ATOM 213 OH TYR A 13 -3.727 -2.085 -9.665 1.00 0.00 O ATOM 0 H TYR A 13 -3.572 -5.135 -4.237 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.646 -6.109 -6.193 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.626 -3.922 -4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.227 -4.351 -5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.653 -2.945 -5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.167 -3.904 -7.527 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.667 -1.848 -7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.298 -3.040 -9.562 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.657 -1.854 -9.461 1.00 0.00 H new ATOM 223 N ALA A 14 -1.358 -7.182 -3.116 1.00 0.00 N ATOM 224 CA ALA A 14 -0.624 -8.185 -2.338 1.00 0.00 C ATOM 225 C ALA A 14 -0.398 -9.508 -3.070 1.00 0.00 C ATOM 226 O ALA A 14 0.570 -10.221 -2.760 1.00 0.00 O ATOM 227 CB ALA A 14 -1.343 -8.455 -1.018 1.00 0.00 C ATOM 0 H ALA A 14 -2.148 -6.768 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 14 0.363 -7.756 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.789 -9.201 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.405 -7.532 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.348 -8.825 -1.220 1.00 0.00 H new ATOM 233 N ALA A 15 -1.292 -9.856 -4.006 1.00 0.00 N ATOM 234 CA ALA A 15 -1.193 -11.095 -4.767 1.00 0.00 C ATOM 235 C ALA A 15 -0.138 -11.070 -5.890 1.00 0.00 C ATOM 236 O ALA A 15 0.316 -12.126 -6.325 1.00 0.00 O ATOM 237 CB ALA A 15 -2.576 -11.397 -5.347 1.00 0.00 C ATOM 0 H ALA A 15 -2.100 -9.284 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.858 -11.875 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.535 -12.321 -5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.295 -11.508 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.885 -10.578 -5.996 1.00 0.00 H new ATOM 243 N LYS A 16 0.187 -9.894 -6.436 1.00 0.00 N ATOM 244 CA LYS A 16 0.838 -9.763 -7.735 1.00 0.00 C ATOM 245 C LYS A 16 2.254 -10.341 -7.800 1.00 0.00 C ATOM 246 O LYS A 16 2.588 -11.049 -8.755 1.00 0.00 O ATOM 247 CB LYS A 16 0.814 -8.286 -8.170 1.00 0.00 C ATOM 248 CG LYS A 16 0.091 -7.990 -9.496 1.00 0.00 C ATOM 249 CD LYS A 16 -1.284 -8.647 -9.676 1.00 0.00 C ATOM 250 CE LYS A 16 -2.259 -8.389 -8.526 1.00 0.00 C ATOM 251 NZ LYS A 16 -3.564 -9.026 -8.785 1.00 0.00 N ATOM 0 H LYS A 16 0.002 -9.000 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 16 0.265 -10.371 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.340 -7.702 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.842 -7.934 -8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.030 -6.911 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.734 -8.309 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.729 -8.284 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.148 -9.723 -9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.840 -8.775 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.394 -7.316 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.173 -8.923 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.018 -8.569 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.423 -10.036 -8.988 1.00 0.00 H new ATOM 265 N GLU A 17 3.107 -10.001 -6.840 1.00 0.00 N ATOM 266 CA GLU A 17 4.497 -10.440 -6.791 1.00 0.00 C ATOM 267 C GLU A 17 4.698 -11.413 -5.622 1.00 0.00 C ATOM 268 O GLU A 17 4.143 -11.226 -4.532 1.00 0.00 O ATOM 269 CB GLU A 17 5.456 -9.245 -6.670 1.00 0.00 C ATOM 270 CG GLU A 17 5.334 -8.183 -7.790 1.00 0.00 C ATOM 271 CD GLU A 17 6.356 -8.276 -8.919 1.00 0.00 C ATOM 272 OE1 GLU A 17 7.222 -9.182 -8.879 1.00 0.00 O ATOM 273 OE2 GLU A 17 6.308 -7.417 -9.831 1.00 0.00 O ATOM 0 H GLU A 17 2.846 -9.400 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 17 4.726 -10.954 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.284 -8.758 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.479 -9.621 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.337 -8.255 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.414 -7.195 -7.336 1.00 0.00 H new ATOM 280 N GLY A 18 5.532 -12.422 -5.889 1.00 0.00 N ATOM 281 CA GLY A 18 6.048 -13.448 -4.992 1.00 0.00 C ATOM 282 C GLY A 18 5.019 -14.056 -4.053 1.00 0.00 C ATOM 283 O GLY A 18 4.478 -15.134 -4.307 1.00 0.00 O ATOM 0 H GLY A 18 5.896 -12.549 -6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.487 -14.246 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.852 -13.017 -4.396 1.00 0.00 H new ATOM 287 N ASP A 19 4.806 -13.398 -2.920 1.00 0.00 N ATOM 288 CA ASP A 19 3.988 -13.880 -1.834 1.00 0.00 C ATOM 289 C ASP A 19 2.499 -13.554 -2.038 1.00 0.00 C ATOM 290 O ASP A 19 2.187 -12.597 -2.755 1.00 0.00 O ATOM 291 CB ASP A 19 4.569 -13.273 -0.555 1.00 0.00 C ATOM 292 CG ASP A 19 3.603 -12.340 0.137 1.00 0.00 C ATOM 293 OD1 ASP A 19 3.195 -11.366 -0.544 1.00 0.00 O ATOM 294 OD2 ASP A 19 3.193 -12.623 1.272 1.00 0.00 O ATOM 0 H ASP A 19 5.216 -12.483 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 19 4.013 -14.968 -1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.847 -14.075 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.482 -12.730 -0.798 1.00 0.00 H new ATOM 299 N PRO A 20 1.606 -14.278 -1.345 1.00 0.00 N ATOM 300 CA PRO A 20 0.158 -14.127 -1.422 1.00 0.00 C ATOM 301 C PRO A 20 -0.422 -13.127 -0.409 1.00 0.00 C ATOM 302 O PRO A 20 -1.618 -12.817 -0.468 1.00 0.00 O ATOM 303 CB PRO A 20 -0.341 -15.538 -1.106 1.00 0.00 C ATOM 304 CG PRO A 20 0.624 -15.996 -0.020 1.00 0.00 C ATOM 305 CD PRO A 20 1.948 -15.440 -0.539 1.00 0.00 C ATOM 0 HA PRO A 20 -0.147 -13.731 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.373 -15.534 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.304 -16.187 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.364 -15.591 0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.645 -17.081 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 20 2.605 -15.163 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.478 -16.185 -1.133 1.00 0.00 H new ATOM 313 N ASN A 21 0.365 -12.692 0.587 1.00 0.00 N ATOM 314 CA ASN A 21 -0.142 -12.064 1.804 1.00 0.00 C ATOM 315 C ASN A 21 0.335 -10.611 1.954 1.00 0.00 C ATOM 316 O ASN A 21 -0.427 -9.765 2.425 1.00 0.00 O ATOM 317 CB ASN A 21 0.328 -12.918 2.990 1.00 0.00 C ATOM 318 CG ASN A 21 0.063 -12.224 4.317 1.00 0.00 C ATOM 319 OD1 ASN A 21 1.111 -11.719 4.967 1.00 0.00 O flip ATOM 320 ND2 ASN A 21 -1.085 -12.124 4.763 1.00 0.00 N flip ATOM 0 H ASN A 21 1.382 -12.770 0.564 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.230 -12.018 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.185 -13.880 2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.394 -13.123 2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.870 -12.520 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.248 -11.646 5.649 1.00 0.00 H new ATOM 327 N GLN A 22 1.595 -10.340 1.618 1.00 0.00 N ATOM 328 CA GLN A 22 2.240 -9.045 1.734 1.00 0.00 C ATOM 329 C GLN A 22 2.349 -8.329 0.384 1.00 0.00 C ATOM 330 O GLN A 22 2.216 -8.909 -0.701 1.00 0.00 O ATOM 331 CB GLN A 22 3.638 -9.233 2.342 1.00 0.00 C ATOM 332 CG GLN A 22 3.567 -9.448 3.855 1.00 0.00 C ATOM 333 CD GLN A 22 4.445 -10.596 4.317 1.00 0.00 C ATOM 334 OE1 GLN A 22 5.759 -10.490 4.102 1.00 0.00 O flip ATOM 335 NE2 GLN A 22 3.932 -11.553 4.903 1.00 0.00 N flip ATOM 0 H GLN A 22 2.218 -11.054 1.241 1.00 0.00 H new ATOM 0 HA GLN A 22 1.626 -8.419 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.127 -10.088 1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.251 -8.358 2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.871 -8.533 4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.534 -9.645 4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.922 -11.585 5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.518 -12.313 5.250 1.00 0.00 H new ATOM 344 N LEU A 23 2.601 -7.028 0.493 1.00 0.00 N ATOM 345 CA LEU A 23 3.059 -6.161 -0.565 1.00 0.00 C ATOM 346 C LEU A 23 4.582 -6.077 -0.476 1.00 0.00 C ATOM 347 O LEU A 23 5.095 -5.380 0.400 1.00 0.00 O ATOM 348 CB LEU A 23 2.450 -4.777 -0.336 1.00 0.00 C ATOM 349 CG LEU A 23 1.052 -4.597 -0.931 1.00 0.00 C ATOM 350 CD1 LEU A 23 0.522 -3.198 -0.602 1.00 0.00 C ATOM 351 CD2 LEU A 23 1.036 -4.735 -2.454 1.00 0.00 C ATOM 0 H LEU A 23 2.481 -6.531 1.376 1.00 0.00 H new ATOM 0 HA LEU A 23 2.766 -6.535 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.403 -4.587 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.114 -4.026 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 23 0.433 -5.381 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.474 -3.077 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.471 -3.073 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.191 -2.447 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.019 -4.598 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.686 -3.979 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.392 -5.727 -2.733 1.00 0.00 H new ATOM 363 N SER A 24 5.308 -6.745 -1.375 1.00 0.00 N ATOM 364 CA SER A 24 6.742 -6.517 -1.502 1.00 0.00 C ATOM 365 C SER A 24 7.000 -5.142 -2.114 1.00 0.00 C ATOM 366 O SER A 24 6.099 -4.533 -2.685 1.00 0.00 O ATOM 367 CB SER A 24 7.475 -7.689 -2.165 1.00 0.00 C ATOM 368 OG SER A 24 6.825 -8.208 -3.308 1.00 0.00 O ATOM 0 H SER A 24 4.928 -7.440 -2.018 1.00 0.00 H new ATOM 0 HA SER A 24 7.190 -6.490 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.476 -7.364 -2.447 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.594 -8.489 -1.434 1.00 0.00 H new ATOM 0 HG SER A 24 7.495 -8.478 -3.971 1.00 0.00 H new ATOM 374 N LYS A 25 8.199 -4.589 -1.935 1.00 0.00 N ATOM 375 CA LYS A 25 8.501 -3.232 -2.373 1.00 0.00 C ATOM 376 C LYS A 25 8.170 -3.067 -3.853 1.00 0.00 C ATOM 377 O LYS A 25 7.464 -2.140 -4.249 1.00 0.00 O ATOM 378 CB LYS A 25 9.961 -2.912 -2.024 1.00 0.00 C ATOM 379 CG LYS A 25 10.370 -1.507 -2.499 1.00 0.00 C ATOM 380 CD LYS A 25 11.831 -1.131 -2.204 1.00 0.00 C ATOM 381 CE LYS A 25 12.127 -0.757 -0.743 1.00 0.00 C ATOM 382 NZ LYS A 25 13.457 -0.115 -0.621 1.00 0.00 N ATOM 0 H LYS A 25 8.981 -5.066 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 25 7.878 -2.506 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.101 -2.986 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.615 -3.654 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.201 -1.438 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.717 -0.774 -2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.469 -1.969 -2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.109 -0.291 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.357 -0.080 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.092 -1.651 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.614 0.175 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.196 -0.790 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.497 0.722 -1.238 1.00 0.00 H new ATOM 396 N GLU A 26 8.627 -4.012 -4.667 1.00 0.00 N ATOM 397 CA GLU A 26 8.360 -4.027 -6.081 1.00 0.00 C ATOM 398 C GLU A 26 6.881 -4.245 -6.440 1.00 0.00 C ATOM 399 O GLU A 26 6.513 -4.111 -7.609 1.00 0.00 O ATOM 400 CB GLU A 26 9.257 -5.110 -6.658 1.00 0.00 C ATOM 401 CG GLU A 26 8.771 -6.549 -6.438 1.00 0.00 C ATOM 402 CD GLU A 26 9.233 -7.196 -5.140 1.00 0.00 C ATOM 403 OE1 GLU A 26 9.836 -6.527 -4.274 1.00 0.00 O ATOM 404 OE2 GLU A 26 8.993 -8.429 -5.017 1.00 0.00 O ATOM 0 H GLU A 26 9.199 -4.794 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 26 8.576 -3.048 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.362 -4.939 -7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.250 -5.008 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.681 -6.555 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.111 -7.162 -7.272 1.00 0.00 H new ATOM 411 N GLU A 27 6.056 -4.614 -5.457 1.00 0.00 N ATOM 412 CA GLU A 27 4.636 -4.914 -5.573 1.00 0.00 C ATOM 413 C GLU A 27 3.829 -3.683 -5.166 1.00 0.00 C ATOM 414 O GLU A 27 2.827 -3.355 -5.797 1.00 0.00 O ATOM 415 CB GLU A 27 4.349 -6.086 -4.638 1.00 0.00 C ATOM 416 CG GLU A 27 3.116 -6.901 -5.003 1.00 0.00 C ATOM 417 CD GLU A 27 3.015 -8.109 -4.095 1.00 0.00 C ATOM 418 OE1 GLU A 27 3.655 -8.159 -3.028 1.00 0.00 O ATOM 419 OE2 GLU A 27 2.352 -9.109 -4.424 1.00 0.00 O ATOM 0 H GLU A 27 6.389 -4.716 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 27 4.360 -5.174 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.216 -6.747 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.229 -5.704 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.221 -6.287 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.174 -7.220 -6.044 1.00 0.00 H new ATOM 426 N LEU A 28 4.290 -2.961 -4.139 1.00 0.00 N ATOM 427 CA LEU A 28 3.709 -1.674 -3.790 1.00 0.00 C ATOM 428 C LEU A 28 3.747 -0.769 -5.020 1.00 0.00 C ATOM 429 O LEU A 28 2.775 -0.070 -5.297 1.00 0.00 O ATOM 430 CB LEU A 28 4.497 -1.065 -2.622 1.00 0.00 C ATOM 431 CG LEU A 28 3.933 0.290 -2.154 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.481 0.198 -1.663 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.789 0.849 -1.014 1.00 0.00 C ATOM 0 H LEU A 28 5.063 -3.251 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 28 2.672 -1.789 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.491 -1.763 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.537 -0.935 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 28 3.956 0.947 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.141 1.184 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.846 -0.163 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.425 -0.492 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.383 1.807 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.782 0.150 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.813 0.988 -1.362 1.00 0.00 H new ATOM 445 N LYS A 29 4.857 -0.819 -5.767 1.00 0.00 N ATOM 446 CA LYS A 29 5.052 -0.062 -6.999 1.00 0.00 C ATOM 447 C LYS A 29 3.780 -0.012 -7.854 1.00 0.00 C ATOM 448 O LYS A 29 3.219 1.055 -8.089 1.00 0.00 O ATOM 449 CB LYS A 29 6.232 -0.669 -7.763 1.00 0.00 C ATOM 450 CG LYS A 29 6.277 -0.154 -9.201 1.00 0.00 C ATOM 451 CD LYS A 29 7.644 -0.397 -9.833 1.00 0.00 C ATOM 452 CE LYS A 29 7.656 0.130 -11.272 1.00 0.00 C ATOM 453 NZ LYS A 29 6.828 -0.681 -12.198 1.00 0.00 N ATOM 0 H LYS A 29 5.658 -1.401 -5.522 1.00 0.00 H new ATOM 0 HA LYS A 29 5.278 0.975 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.164 -0.422 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.148 -1.756 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.507 -0.650 -9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.052 0.912 -9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.418 0.100 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.874 -1.463 -9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.295 1.159 -11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.683 0.150 -11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.150 -0.529 -13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.921 -1.688 -11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.832 -0.395 -12.114 1.00 0.00 H new ATOM 467 N LEU A 30 3.341 -1.170 -8.349 1.00 0.00 N ATOM 468 CA LEU A 30 2.232 -1.260 -9.280 1.00 0.00 C ATOM 469 C LEU A 30 0.969 -0.594 -8.724 1.00 0.00 C ATOM 470 O LEU A 30 0.236 0.066 -9.464 1.00 0.00 O ATOM 471 CB LEU A 30 1.978 -2.711 -9.716 1.00 0.00 C ATOM 472 CG LEU A 30 2.901 -3.833 -9.209 1.00 0.00 C ATOM 473 CD1 LEU A 30 2.239 -5.184 -9.487 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.267 -3.817 -9.899 1.00 0.00 C ATOM 0 H LEU A 30 3.752 -2.073 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 30 2.512 -0.704 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.961 -2.967 -9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.007 -2.733 -10.805 1.00 0.00 H new ATOM 0 HG LEU A 30 3.056 -3.674 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.886 -5.986 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.281 -5.233 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.078 -5.296 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.882 -4.627 -9.507 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.134 -3.949 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.759 -2.863 -9.709 1.00 0.00 H new ATOM 486 N LEU A 31 0.728 -0.750 -7.419 1.00 0.00 N ATOM 487 CA LEU A 31 -0.364 -0.084 -6.714 1.00 0.00 C ATOM 488 C LEU A 31 -0.350 1.412 -7.028 1.00 0.00 C ATOM 489 O LEU A 31 -1.354 1.980 -7.476 1.00 0.00 O ATOM 490 CB LEU A 31 -0.221 -0.294 -5.193 1.00 0.00 C ATOM 491 CG LEU A 31 -1.545 -0.406 -4.415 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.351 -0.058 -2.934 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.664 0.488 -4.959 1.00 0.00 C ATOM 0 H LEU A 31 1.294 -1.350 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.309 -0.514 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.360 -1.200 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.354 0.535 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.847 -1.446 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.304 -0.146 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.629 -0.744 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.982 0.964 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.563 0.352 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.351 1.531 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.875 0.218 -5.994 1.00 0.00 H new ATOM 505 N LEU A 32 0.817 2.029 -6.785 1.00 0.00 N ATOM 506 CA LEU A 32 1.024 3.460 -6.948 1.00 0.00 C ATOM 507 C LEU A 32 0.602 3.846 -8.357 1.00 0.00 C ATOM 508 O LEU A 32 -0.233 4.722 -8.559 1.00 0.00 O ATOM 509 CB LEU A 32 2.506 3.843 -6.769 1.00 0.00 C ATOM 510 CG LEU A 32 3.211 3.303 -5.521 1.00 0.00 C ATOM 511 CD1 LEU A 32 4.599 3.941 -5.395 1.00 0.00 C ATOM 512 CD2 LEU A 32 2.399 3.561 -4.247 1.00 0.00 C ATOM 0 H LEU A 32 1.649 1.533 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 32 0.437 3.981 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.055 3.498 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.577 4.931 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 32 3.308 2.223 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.098 3.555 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.192 3.700 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.496 5.023 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.936 3.162 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.254 4.634 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.429 3.071 -4.329 1.00 0.00 H new ATOM 524 N GLN A 33 1.204 3.164 -9.326 1.00 0.00 N ATOM 525 CA GLN A 33 1.124 3.491 -10.716 1.00 0.00 C ATOM 526 C GLN A 33 -0.317 3.410 -11.189 1.00 0.00 C ATOM 527 O GLN A 33 -0.815 4.336 -11.835 1.00 0.00 O ATOM 528 CB GLN A 33 1.999 2.478 -11.440 1.00 0.00 C ATOM 529 CG GLN A 33 3.476 2.663 -11.094 1.00 0.00 C ATOM 530 CD GLN A 33 4.333 1.745 -11.945 1.00 0.00 C ATOM 531 OE1 GLN A 33 4.546 0.579 -11.619 1.00 0.00 O ATOM 532 NE2 GLN A 33 4.827 2.257 -13.058 1.00 0.00 N ATOM 0 H GLN A 33 1.778 2.341 -9.142 1.00 0.00 H new ATOM 0 HA GLN A 33 1.465 4.507 -10.914 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.686 1.469 -11.173 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.861 2.580 -12.516 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.768 3.700 -11.258 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.639 2.449 -10.038 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.633 3.228 -13.303 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.402 1.681 -13.673 1.00 0.00 H new ATOM 541 N THR A 34 -0.971 2.290 -10.879 1.00 0.00 N ATOM 542 CA THR A 34 -2.306 2.046 -11.373 1.00 0.00 C ATOM 543 C THR A 34 -3.285 2.990 -10.673 1.00 0.00 C ATOM 544 O THR A 34 -3.900 3.836 -11.330 1.00 0.00 O ATOM 545 CB THR A 34 -2.667 0.560 -11.214 1.00 0.00 C ATOM 546 OG1 THR A 34 -1.548 -0.247 -11.518 1.00 0.00 O ATOM 547 CG2 THR A 34 -3.810 0.176 -12.161 1.00 0.00 C ATOM 0 H THR A 34 -0.592 1.548 -10.291 1.00 0.00 H new ATOM 0 HA THR A 34 -2.365 2.259 -12.440 1.00 0.00 H new ATOM 0 HB THR A 34 -2.977 0.400 -10.181 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.954 -0.290 -10.739 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.050 -0.879 -12.033 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.689 0.778 -11.933 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.504 0.356 -13.192 1.00 0.00 H new ATOM 555 N GLU A 35 -3.453 2.837 -9.356 1.00 0.00 N ATOM 556 CA GLU A 35 -4.616 3.372 -8.666 1.00 0.00 C ATOM 557 C GLU A 35 -4.333 4.693 -7.952 1.00 0.00 C ATOM 558 O GLU A 35 -5.281 5.445 -7.693 1.00 0.00 O ATOM 559 CB GLU A 35 -5.170 2.339 -7.667 1.00 0.00 C ATOM 560 CG GLU A 35 -5.101 0.842 -8.048 1.00 0.00 C ATOM 561 CD GLU A 35 -5.966 0.412 -9.238 1.00 0.00 C ATOM 562 OE1 GLU A 35 -6.513 1.276 -9.963 1.00 0.00 O ATOM 563 OE2 GLU A 35 -6.038 -0.824 -9.450 1.00 0.00 O ATOM 0 H GLU A 35 -2.794 2.346 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.363 3.580 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.636 2.468 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.215 2.586 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.064 0.591 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.394 0.252 -7.179 1.00 0.00 H new ATOM 570 N PHE A 36 -3.068 4.964 -7.603 1.00 0.00 N ATOM 571 CA PHE A 36 -2.708 6.003 -6.642 1.00 0.00 C ATOM 572 C PHE A 36 -1.621 6.968 -7.165 1.00 0.00 C ATOM 573 O PHE A 36 -0.749 7.373 -6.394 1.00 0.00 O ATOM 574 CB PHE A 36 -2.265 5.279 -5.354 1.00 0.00 C ATOM 575 CG PHE A 36 -3.320 5.173 -4.271 1.00 0.00 C ATOM 576 CD1 PHE A 36 -3.430 6.224 -3.346 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.969 3.950 -4.010 1.00 0.00 C ATOM 578 CE1 PHE A 36 -4.034 6.005 -2.099 1.00 0.00 C ATOM 579 CE2 PHE A 36 -4.589 3.735 -2.769 1.00 0.00 C ATOM 580 CZ PHE A 36 -4.562 4.740 -1.790 1.00 0.00 C ATOM 0 H PHE A 36 -2.265 4.463 -7.984 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.568 6.646 -6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.937 4.273 -5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.399 5.800 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.049 7.203 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.990 3.178 -4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.093 6.807 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.086 2.797 -2.568 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.946 4.541 -0.800 1.00 0.00 H new ATOM 590 N PRO A 37 -1.628 7.388 -8.439 1.00 0.00 N ATOM 591 CA PRO A 37 -0.521 8.143 -9.003 1.00 0.00 C ATOM 592 C PRO A 37 -0.311 9.518 -8.357 1.00 0.00 C ATOM 593 O PRO A 37 0.808 10.033 -8.417 1.00 0.00 O ATOM 594 CB PRO A 37 -0.825 8.274 -10.499 1.00 0.00 C ATOM 595 CG PRO A 37 -2.348 8.159 -10.555 1.00 0.00 C ATOM 596 CD PRO A 37 -2.635 7.142 -9.456 1.00 0.00 C ATOM 0 HA PRO A 37 0.415 7.617 -8.813 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.478 9.227 -10.899 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.340 7.489 -11.079 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.836 9.115 -10.363 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.695 7.814 -11.529 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.640 7.269 -9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.570 6.122 -9.836 1.00 0.00 H new ATOM 604 N SER A 38 -1.353 10.127 -7.775 1.00 0.00 N ATOM 605 CA SER A 38 -1.293 11.513 -7.324 1.00 0.00 C ATOM 606 C SER A 38 -1.183 11.642 -5.807 1.00 0.00 C ATOM 607 O SER A 38 -1.335 12.744 -5.281 1.00 0.00 O ATOM 608 CB SER A 38 -2.493 12.295 -7.863 1.00 0.00 C ATOM 609 OG SER A 38 -3.676 11.909 -7.186 1.00 0.00 O ATOM 0 H SER A 38 -2.251 9.673 -7.607 1.00 0.00 H new ATOM 0 HA SER A 38 -0.377 11.944 -7.728 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.326 13.365 -7.736 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.603 12.115 -8.932 1.00 0.00 H new ATOM 0 HG SER A 38 -4.436 12.418 -7.539 1.00 0.00 H new ATOM 689 N SER A 44 7.584 10.718 -1.798 1.00 0.00 N ATOM 690 CA SER A 44 7.991 10.989 -3.166 1.00 0.00 C ATOM 691 C SER A 44 8.572 9.759 -3.864 1.00 0.00 C ATOM 692 O SER A 44 8.403 9.590 -5.072 1.00 0.00 O ATOM 693 CB SER A 44 9.018 12.128 -3.087 1.00 0.00 C ATOM 694 OG SER A 44 9.622 12.170 -1.796 1.00 0.00 O ATOM 0 HA SER A 44 7.127 11.269 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.785 11.987 -3.849 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.530 13.080 -3.298 1.00 0.00 H new ATOM 0 HG SER A 44 10.048 11.308 -1.606 1.00 0.00 H new ATOM 700 N THR A 45 9.293 8.928 -3.112 1.00 0.00 N ATOM 701 CA THR A 45 10.002 7.778 -3.644 1.00 0.00 C ATOM 702 C THR A 45 9.433 6.491 -3.054 1.00 0.00 C ATOM 703 O THR A 45 8.966 6.461 -1.916 1.00 0.00 O ATOM 704 CB THR A 45 11.513 7.905 -3.395 1.00 0.00 C ATOM 705 OG1 THR A 45 11.889 9.239 -3.086 1.00 0.00 O ATOM 706 CG2 THR A 45 12.290 7.463 -4.624 1.00 0.00 C ATOM 0 H THR A 45 9.399 9.041 -2.104 1.00 0.00 H new ATOM 0 HA THR A 45 9.858 7.741 -4.724 1.00 0.00 H new ATOM 0 HB THR A 45 11.747 7.265 -2.544 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.623 9.449 -2.167 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.359 7.559 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.053 6.423 -4.850 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.016 8.090 -5.473 1.00 0.00 H new ATOM 714 N LEU A 46 9.498 5.421 -3.844 1.00 0.00 N ATOM 715 CA LEU A 46 8.991 4.099 -3.496 1.00 0.00 C ATOM 716 C LEU A 46 9.606 3.622 -2.180 1.00 0.00 C ATOM 717 O LEU A 46 8.925 3.077 -1.317 1.00 0.00 O ATOM 718 CB LEU A 46 9.337 3.136 -4.639 1.00 0.00 C ATOM 719 CG LEU A 46 8.901 1.680 -4.407 1.00 0.00 C ATOM 720 CD1 LEU A 46 7.382 1.552 -4.291 1.00 0.00 C ATOM 721 CD2 LEU A 46 9.399 0.822 -5.576 1.00 0.00 C ATOM 0 H LEU A 46 9.919 5.453 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 46 7.910 4.136 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.871 3.499 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.415 3.157 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 46 9.334 1.339 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.116 0.508 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.029 2.152 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.916 1.905 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.096 -0.214 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.970 1.192 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.486 0.877 -5.631 1.00 0.00 H new ATOM 733 N ASP A 47 10.910 3.844 -2.058 1.00 0.00 N ATOM 734 CA ASP A 47 11.754 3.480 -0.949 1.00 0.00 C ATOM 735 C ASP A 47 11.276 4.251 0.274 1.00 0.00 C ATOM 736 O ASP A 47 10.885 3.642 1.264 1.00 0.00 O ATOM 737 CB ASP A 47 13.218 3.790 -1.312 1.00 0.00 C ATOM 738 CG ASP A 47 13.713 3.022 -2.535 1.00 0.00 C ATOM 739 OD1 ASP A 47 13.654 1.775 -2.482 1.00 0.00 O ATOM 740 OD2 ASP A 47 14.130 3.655 -3.539 1.00 0.00 O ATOM 0 H ASP A 47 11.434 4.319 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 47 11.698 2.415 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.320 4.859 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.855 3.552 -0.460 1.00 0.00 H new ATOM 745 N GLU A 48 11.254 5.587 0.180 1.00 0.00 N ATOM 746 CA GLU A 48 10.763 6.448 1.247 1.00 0.00 C ATOM 747 C GLU A 48 9.385 6.004 1.735 1.00 0.00 C ATOM 748 O GLU A 48 9.161 5.913 2.942 1.00 0.00 O ATOM 749 CB GLU A 48 10.696 7.907 0.789 1.00 0.00 C ATOM 750 CG GLU A 48 12.073 8.516 0.506 1.00 0.00 C ATOM 751 CD GLU A 48 11.924 9.999 0.220 1.00 0.00 C ATOM 752 OE1 GLU A 48 11.262 10.340 -0.785 1.00 0.00 O ATOM 753 OE2 GLU A 48 12.433 10.812 1.027 1.00 0.00 O ATOM 0 H GLU A 48 11.578 6.096 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 48 11.469 6.365 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.086 7.970 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.195 8.499 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.732 8.365 1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.535 8.016 -0.345 1.00 0.00 H new ATOM 760 N LEU A 49 8.480 5.756 0.788 1.00 0.00 N ATOM 761 CA LEU A 49 7.102 5.392 1.048 1.00 0.00 C ATOM 762 C LEU A 49 7.025 4.038 1.754 1.00 0.00 C ATOM 763 O LEU A 49 6.540 3.972 2.882 1.00 0.00 O ATOM 764 CB LEU A 49 6.326 5.449 -0.275 1.00 0.00 C ATOM 765 CG LEU A 49 4.888 4.935 -0.161 1.00 0.00 C ATOM 766 CD1 LEU A 49 4.074 5.692 0.896 1.00 0.00 C ATOM 767 CD2 LEU A 49 4.202 5.065 -1.523 1.00 0.00 C ATOM 0 H LEU A 49 8.700 5.806 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 49 6.634 6.099 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.308 6.478 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.856 4.860 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 49 4.933 3.892 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.063 5.287 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.548 5.578 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.032 6.749 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.177 4.701 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.195 6.111 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.745 4.475 -2.262 1.00 0.00 H new ATOM 779 N PHE A 50 7.523 2.966 1.124 1.00 0.00 N ATOM 780 CA PHE A 50 7.717 1.673 1.757 1.00 0.00 C ATOM 781 C PHE A 50 8.299 1.825 3.161 1.00 0.00 C ATOM 782 O PHE A 50 7.861 1.146 4.082 1.00 0.00 O ATOM 783 CB PHE A 50 8.666 0.851 0.887 1.00 0.00 C ATOM 784 CG PHE A 50 8.690 -0.620 1.218 1.00 0.00 C ATOM 785 CD1 PHE A 50 7.709 -1.448 0.645 1.00 0.00 C ATOM 786 CD2 PHE A 50 9.697 -1.172 2.027 1.00 0.00 C ATOM 787 CE1 PHE A 50 7.812 -2.841 0.785 1.00 0.00 C ATOM 788 CE2 PHE A 50 9.839 -2.575 2.106 1.00 0.00 C ATOM 789 CZ PHE A 50 8.952 -3.397 1.402 1.00 0.00 C ATOM 0 H PHE A 50 7.804 2.982 0.144 1.00 0.00 H new ATOM 0 HA PHE A 50 6.754 1.172 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.380 0.972 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.674 1.252 0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.882 -1.016 0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.359 -0.527 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.023 -3.483 0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.626 -3.010 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.140 -4.458 1.331 1.00 0.00 H new ATOM 799 N GLU A 51 9.272 2.718 3.349 1.00 0.00 N ATOM 800 CA GLU A 51 9.856 2.907 4.677 1.00 0.00 C ATOM 801 C GLU A 51 8.968 3.686 5.655 1.00 0.00 C ATOM 802 O GLU A 51 9.091 3.493 6.866 1.00 0.00 O ATOM 803 CB GLU A 51 11.178 3.651 4.539 1.00 0.00 C ATOM 804 CG GLU A 51 12.292 2.845 3.878 1.00 0.00 C ATOM 805 CD GLU A 51 13.396 3.757 3.392 1.00 0.00 C ATOM 806 OE1 GLU A 51 13.271 5.007 3.507 1.00 0.00 O ATOM 807 OE2 GLU A 51 14.437 3.197 2.973 1.00 0.00 O ATOM 0 H GLU A 51 9.665 3.309 2.617 1.00 0.00 H new ATOM 0 HA GLU A 51 9.983 1.907 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.011 4.559 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.510 3.962 5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.696 2.123 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.888 2.276 3.040 1.00 0.00 H new ATOM 814 N GLU A 52 8.104 4.589 5.189 1.00 0.00 N ATOM 815 CA GLU A 52 7.059 5.109 6.063 1.00 0.00 C ATOM 816 C GLU A 52 6.196 3.927 6.516 1.00 0.00 C ATOM 817 O GLU A 52 5.901 3.755 7.705 1.00 0.00 O ATOM 818 CB GLU A 52 6.251 6.192 5.341 1.00 0.00 C ATOM 819 CG GLU A 52 5.038 6.605 6.177 1.00 0.00 C ATOM 820 CD GLU A 52 4.552 7.997 5.809 1.00 0.00 C ATOM 821 OE1 GLU A 52 3.709 8.142 4.905 1.00 0.00 O ATOM 822 OE2 GLU A 52 5.004 8.975 6.448 1.00 0.00 O ATOM 0 H GLU A 52 8.106 4.965 4.241 1.00 0.00 H new ATOM 0 HA GLU A 52 7.485 5.588 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.883 7.060 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.922 5.821 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.232 5.887 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.298 6.578 7.235 1.00 0.00 H new ATOM 829 N LEU A 53 5.823 3.119 5.525 1.00 0.00 N ATOM 830 CA LEU A 53 4.865 2.041 5.614 1.00 0.00 C ATOM 831 C LEU A 53 5.302 0.891 6.526 1.00 0.00 C ATOM 832 O LEU A 53 4.591 0.562 7.473 1.00 0.00 O ATOM 833 CB LEU A 53 4.603 1.513 4.190 1.00 0.00 C ATOM 834 CG LEU A 53 3.372 2.136 3.528 1.00 0.00 C ATOM 835 CD1 LEU A 53 3.422 1.881 2.023 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.114 1.477 4.110 1.00 0.00 C ATOM 0 H LEU A 53 6.210 3.213 4.586 1.00 0.00 H new ATOM 0 HA LEU A 53 3.960 2.445 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.478 1.710 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.477 0.431 4.229 1.00 0.00 H new ATOM 0 HG LEU A 53 3.353 3.210 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.546 2.324 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.325 2.329 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.431 0.807 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.228 1.912 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.139 0.406 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.080 1.645 5.186 1.00 0.00 H new ATOM 848 N ASP A 54 6.404 0.211 6.197 1.00 0.00 N ATOM 849 CA ASP A 54 6.669 -1.123 6.667 1.00 0.00 C ATOM 850 C ASP A 54 7.355 -1.009 8.005 1.00 0.00 C ATOM 851 O ASP A 54 8.332 -0.272 8.142 1.00 0.00 O ATOM 852 CB ASP A 54 7.562 -1.918 5.718 1.00 0.00 C ATOM 853 CG ASP A 54 7.484 -3.370 6.149 1.00 0.00 C ATOM 854 OD1 ASP A 54 7.952 -3.734 7.252 1.00 0.00 O ATOM 855 OD2 ASP A 54 6.818 -4.180 5.503 1.00 0.00 O ATOM 0 H ASP A 54 7.134 0.587 5.592 1.00 0.00 H new ATOM 0 HA ASP A 54 5.721 -1.657 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.228 -1.803 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.590 -1.557 5.762 1.00 0.00 H new ATOM 860 N LYS A 55 6.845 -1.740 8.985 1.00 0.00 N ATOM 861 CA LYS A 55 7.415 -1.695 10.326 1.00 0.00 C ATOM 862 C LYS A 55 8.898 -2.106 10.399 1.00 0.00 C ATOM 863 O LYS A 55 9.542 -1.798 11.405 1.00 0.00 O ATOM 864 CB LYS A 55 6.555 -2.443 11.348 1.00 0.00 C ATOM 865 CG LYS A 55 5.067 -2.083 11.298 1.00 0.00 C ATOM 866 CD LYS A 55 4.723 -0.583 11.248 1.00 0.00 C ATOM 867 CE LYS A 55 5.104 0.230 12.500 1.00 0.00 C ATOM 868 NZ LYS A 55 6.393 0.947 12.371 1.00 0.00 N ATOM 0 H LYS A 55 6.046 -2.366 8.881 1.00 0.00 H new ATOM 0 HA LYS A 55 7.402 -0.640 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.664 -3.515 11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.935 -2.234 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.630 -2.562 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.582 -2.515 12.173 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.223 -0.143 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.651 -0.480 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.315 0.953 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.155 -0.441 13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.433 1.718 13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.177 0.285 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.476 1.343 11.413 1.00 0.00 H new ATOM 882 N ASN A 56 9.470 -2.732 9.357 1.00 0.00 N ATOM 883 CA ASN A 56 10.932 -2.825 9.207 1.00 0.00 C ATOM 884 C ASN A 56 11.360 -2.909 7.733 1.00 0.00 C ATOM 885 O ASN A 56 12.449 -2.451 7.391 1.00 0.00 O ATOM 886 CB ASN A 56 11.499 -3.992 10.030 1.00 0.00 C ATOM 887 CG ASN A 56 13.024 -4.126 9.933 1.00 0.00 C ATOM 888 OD1 ASN A 56 13.764 -3.145 9.837 1.00 0.00 O ATOM 889 ND2 ASN A 56 13.528 -5.351 9.960 1.00 0.00 N ATOM 0 H ASN A 56 8.943 -3.180 8.607 1.00 0.00 H new ATOM 0 HA ASN A 56 11.356 -1.902 9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.220 -3.858 11.075 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.039 -4.921 9.693 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.537 -5.489 9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.907 -6.156 10.040 1.00 0.00 H new ATOM 896 N GLY A 57 10.541 -3.504 6.863 1.00 0.00 N ATOM 897 CA GLY A 57 10.859 -3.657 5.462 1.00 0.00 C ATOM 898 C GLY A 57 11.903 -4.748 5.387 1.00 0.00 C ATOM 899 O GLY A 57 13.104 -4.459 5.362 1.00 0.00 O ATOM 0 H GLY A 57 9.635 -3.892 7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.972 -3.926 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.239 -2.725 5.044 1.00 0.00 H new ATOM 903 N ASP A 58 11.430 -5.997 5.416 1.00 0.00 N ATOM 904 CA ASP A 58 12.243 -7.159 5.787 1.00 0.00 C ATOM 905 C ASP A 58 11.432 -8.446 5.653 1.00 0.00 C ATOM 906 O ASP A 58 11.718 -9.456 6.295 1.00 0.00 O ATOM 907 CB ASP A 58 12.735 -7.026 7.241 1.00 0.00 C ATOM 908 CG ASP A 58 11.688 -7.272 8.328 1.00 0.00 C ATOM 909 OD1 ASP A 58 10.469 -7.131 8.074 1.00 0.00 O ATOM 910 OD2 ASP A 58 12.129 -7.584 9.462 1.00 0.00 O ATOM 0 H ASP A 58 10.466 -6.232 5.181 1.00 0.00 H new ATOM 0 HA ASP A 58 13.099 -7.199 5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.557 -7.726 7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.141 -6.024 7.376 1.00 0.00 H new ATOM 915 N GLY A 59 10.344 -8.379 4.899 1.00 0.00 N ATOM 916 CA GLY A 59 9.143 -9.088 5.282 1.00 0.00 C ATOM 917 C GLY A 59 8.087 -8.010 5.179 1.00 0.00 C ATOM 918 O GLY A 59 7.841 -7.228 6.096 1.00 0.00 O ATOM 0 H GLY A 59 10.273 -7.847 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.935 -9.926 4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.214 -9.493 6.292 1.00 0.00 H new ATOM 922 N GLU A 60 7.599 -7.862 3.965 1.00 0.00 N ATOM 923 CA GLU A 60 7.219 -6.577 3.441 1.00 0.00 C ATOM 924 C GLU A 60 5.840 -6.148 3.922 1.00 0.00 C ATOM 925 O GLU A 60 5.445 -6.537 5.021 1.00 0.00 O ATOM 926 CB GLU A 60 7.378 -6.677 1.930 1.00 0.00 C ATOM 927 CG GLU A 60 8.804 -7.135 1.563 1.00 0.00 C ATOM 928 CD GLU A 60 8.943 -8.578 1.104 1.00 0.00 C ATOM 929 OE1 GLU A 60 8.326 -9.463 1.741 1.00 0.00 O ATOM 930 OE2 GLU A 60 9.659 -8.782 0.099 1.00 0.00 O ATOM 0 H GLU A 60 7.456 -8.635 3.316 1.00 0.00 H new ATOM 0 HA GLU A 60 7.856 -5.774 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.649 -7.381 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.172 -5.709 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.181 -6.485 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.446 -6.987 2.431 1.00 0.00 H new ATOM 937 N VAL A 61 5.165 -5.244 3.211 1.00 0.00 N ATOM 938 CA VAL A 61 4.064 -4.501 3.801 1.00 0.00 C ATOM 939 C VAL A 61 2.889 -5.459 3.908 1.00 0.00 C ATOM 940 O VAL A 61 2.807 -6.431 3.167 1.00 0.00 O ATOM 941 CB VAL A 61 3.765 -3.223 2.990 1.00 0.00 C ATOM 942 CG1 VAL A 61 2.523 -2.469 3.487 1.00 0.00 C ATOM 943 CG2 VAL A 61 4.956 -2.266 3.066 1.00 0.00 C ATOM 0 H VAL A 61 5.362 -5.014 2.237 1.00 0.00 H new ATOM 0 HA VAL A 61 4.307 -4.138 4.800 1.00 0.00 H new ATOM 0 HB VAL A 61 3.579 -3.551 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.368 -1.580 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.650 -3.117 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.669 -2.173 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.737 -1.366 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.140 -1.996 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.841 -2.753 2.655 1.00 0.00 H new ATOM 953 N SER A 62 1.956 -5.198 4.808 1.00 0.00 N ATOM 954 CA SER A 62 0.742 -5.978 4.926 1.00 0.00 C ATOM 955 C SER A 62 -0.342 -5.018 5.397 1.00 0.00 C ATOM 956 O SER A 62 -0.013 -3.919 5.851 1.00 0.00 O ATOM 957 CB SER A 62 0.984 -7.212 5.804 1.00 0.00 C ATOM 958 OG SER A 62 1.490 -6.879 7.087 1.00 0.00 O ATOM 0 H SER A 62 2.023 -4.434 5.480 1.00 0.00 H new ATOM 0 HA SER A 62 0.407 -6.408 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.049 -7.761 5.918 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.686 -7.878 5.302 1.00 0.00 H new ATOM 0 HG SER A 62 2.352 -6.423 6.990 1.00 0.00 H new ATOM 964 N PHE A 63 -1.621 -5.371 5.236 1.00 0.00 N ATOM 965 CA PHE A 63 -2.729 -4.481 5.578 1.00 0.00 C ATOM 966 C PHE A 63 -2.519 -3.863 6.968 1.00 0.00 C ATOM 967 O PHE A 63 -2.667 -2.653 7.140 1.00 0.00 O ATOM 968 CB PHE A 63 -4.074 -5.181 5.385 1.00 0.00 C ATOM 969 CG PHE A 63 -5.279 -4.328 5.736 1.00 0.00 C ATOM 970 CD1 PHE A 63 -5.757 -4.266 7.058 1.00 0.00 C ATOM 971 CD2 PHE A 63 -5.841 -3.493 4.754 1.00 0.00 C ATOM 972 CE1 PHE A 63 -6.828 -3.413 7.380 1.00 0.00 C ATOM 973 CE2 PHE A 63 -6.988 -2.733 5.049 1.00 0.00 C ATOM 974 CZ PHE A 63 -7.505 -2.725 6.355 1.00 0.00 C ATOM 0 H PHE A 63 -1.914 -6.276 4.867 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.748 -3.638 4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.159 -5.499 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.092 -6.083 5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.301 -4.874 7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.392 -3.435 3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.130 -3.286 8.409 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.470 -2.157 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.419 -2.193 6.572 1.00 0.00 H new ATOM 984 N GLU A 64 -2.066 -4.694 7.912 1.00 0.00 N ATOM 985 CA GLU A 64 -1.527 -4.358 9.225 1.00 0.00 C ATOM 986 C GLU A 64 -0.869 -2.977 9.295 1.00 0.00 C ATOM 987 O GLU A 64 -1.302 -2.119 10.067 1.00 0.00 O ATOM 988 CB GLU A 64 -0.497 -5.447 9.598 1.00 0.00 C ATOM 989 CG GLU A 64 0.104 -5.345 11.010 1.00 0.00 C ATOM 990 CD GLU A 64 -0.877 -5.111 12.149 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.045 -5.547 12.072 1.00 0.00 O ATOM 992 OE2 GLU A 64 -0.434 -4.482 13.147 1.00 0.00 O ATOM 0 H GLU A 64 -2.069 -5.703 7.760 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.360 -4.320 9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.974 -6.422 9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.317 -5.414 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.652 -6.265 11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.831 -4.533 11.014 1.00 0.00 H new ATOM 999 N GLU A 65 0.200 -2.821 8.515 1.00 0.00 N ATOM 1000 CA GLU A 65 1.142 -1.704 8.488 1.00 0.00 C ATOM 1001 C GLU A 65 0.563 -0.658 7.554 1.00 0.00 C ATOM 1002 O GLU A 65 0.604 0.539 7.829 1.00 0.00 O ATOM 1003 CB GLU A 65 2.544 -2.174 8.024 1.00 0.00 C ATOM 1004 CG GLU A 65 2.656 -3.699 8.045 1.00 0.00 C ATOM 1005 CD GLU A 65 4.016 -4.316 7.770 1.00 0.00 C ATOM 1006 OE1 GLU A 65 5.091 -3.802 8.138 1.00 0.00 O ATOM 1007 OE2 GLU A 65 4.026 -5.411 7.172 1.00 0.00 O ATOM 0 H GLU A 65 0.450 -3.533 7.828 1.00 0.00 H new ATOM 0 HA GLU A 65 1.277 -1.284 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.737 -1.807 7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.307 -1.743 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.324 -4.045 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.954 -4.096 7.311 1.00 0.00 H new ATOM 1014 N PHE A 66 -0.055 -1.143 6.473 1.00 0.00 N ATOM 1015 CA PHE A 66 -0.788 -0.301 5.533 1.00 0.00 C ATOM 1016 C PHE A 66 -1.788 0.621 6.248 1.00 0.00 C ATOM 1017 O PHE A 66 -2.048 1.718 5.766 1.00 0.00 O ATOM 1018 CB PHE A 66 -1.454 -1.172 4.476 1.00 0.00 C ATOM 1019 CG PHE A 66 -2.073 -0.424 3.323 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -1.292 -0.043 2.214 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -3.449 -0.135 3.348 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -1.906 0.551 1.100 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -4.027 0.575 2.283 1.00 0.00 C ATOM 1024 CZ PHE A 66 -3.280 0.850 1.127 1.00 0.00 C ATOM 0 H PHE A 66 -0.059 -2.133 6.228 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.082 0.361 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.713 -1.867 4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.228 -1.771 4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.225 -0.207 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.057 -0.457 4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.322 0.779 0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.051 0.911 2.354 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.758 1.289 0.263 1.00 0.00 H new ATOM 1034 N GLN A 67 -2.324 0.253 7.418 1.00 0.00 N ATOM 1035 CA GLN A 67 -3.186 1.174 8.162 1.00 0.00 C ATOM 1036 C GLN A 67 -2.535 2.534 8.463 1.00 0.00 C ATOM 1037 O GLN A 67 -3.236 3.544 8.544 1.00 0.00 O ATOM 1038 CB GLN A 67 -3.857 0.521 9.383 1.00 0.00 C ATOM 1039 CG GLN A 67 -4.534 -0.808 9.054 1.00 0.00 C ATOM 1040 CD GLN A 67 -5.439 -0.646 7.842 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.550 -0.127 7.941 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -4.949 -1.058 6.682 1.00 0.00 N ATOM 0 H GLN A 67 -2.180 -0.655 7.861 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.002 1.413 7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.108 0.359 10.158 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.597 1.207 9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.780 -1.570 8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.116 -1.150 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.023 -1.484 6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.498 -0.949 5.829 1.00 0.00 H new ATOM 1051 N VAL A 68 -1.204 2.602 8.558 1.00 0.00 N ATOM 1052 CA VAL A 68 -0.498 3.879 8.618 1.00 0.00 C ATOM 1053 C VAL A 68 -0.781 4.697 7.352 1.00 0.00 C ATOM 1054 O VAL A 68 -1.082 5.890 7.410 1.00 0.00 O ATOM 1055 CB VAL A 68 1.013 3.637 8.814 1.00 0.00 C ATOM 1056 CG1 VAL A 68 1.793 4.958 8.853 1.00 0.00 C ATOM 1057 CG2 VAL A 68 1.297 2.867 10.114 1.00 0.00 C ATOM 0 H VAL A 68 -0.595 1.784 8.595 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.857 4.454 9.472 1.00 0.00 H new ATOM 0 HB VAL A 68 1.342 3.044 7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.854 4.750 8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.648 5.494 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.432 5.570 9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.371 2.714 10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.927 3.440 10.964 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.795 1.900 10.081 1.00 0.00 H new ATOM 1067 N LEU A 69 -0.702 4.049 6.190 1.00 0.00 N ATOM 1068 CA LEU A 69 -1.040 4.662 4.919 1.00 0.00 C ATOM 1069 C LEU A 69 -2.512 5.078 4.955 1.00 0.00 C ATOM 1070 O LEU A 69 -2.805 6.242 4.691 1.00 0.00 O ATOM 1071 CB LEU A 69 -0.623 3.712 3.780 1.00 0.00 C ATOM 1072 CG LEU A 69 -0.805 4.146 2.322 1.00 0.00 C ATOM 1073 CD1 LEU A 69 -2.276 4.159 1.902 1.00 0.00 C ATOM 1074 CD2 LEU A 69 -0.110 5.475 2.033 1.00 0.00 C ATOM 0 H LEU A 69 -0.399 3.078 6.111 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.490 5.583 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.433 3.479 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.175 2.782 3.914 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.315 3.393 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.354 4.473 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.695 3.159 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.829 4.855 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.264 5.746 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.527 6.251 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.958 5.377 2.229 1.00 0.00 H new ATOM 1086 N VAL A 70 -3.429 4.176 5.345 1.00 0.00 N ATOM 1087 CA VAL A 70 -4.857 4.501 5.486 1.00 0.00 C ATOM 1088 C VAL A 70 -5.072 5.752 6.350 1.00 0.00 C ATOM 1089 O VAL A 70 -5.928 6.582 6.044 1.00 0.00 O ATOM 1090 CB VAL A 70 -5.686 3.318 6.018 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -7.178 3.678 6.083 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -5.545 2.095 5.108 1.00 0.00 C ATOM 0 H VAL A 70 -3.202 3.207 5.570 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.218 4.717 4.481 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.308 3.092 7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.742 2.826 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.318 4.530 6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.534 3.934 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.141 1.274 5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.896 2.344 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.498 1.795 5.062 1.00 0.00 H new ATOM 1102 N LYS A 71 -4.311 5.906 7.436 1.00 0.00 N ATOM 1103 CA LYS A 71 -4.347 7.126 8.223 1.00 0.00 C ATOM 1104 C LYS A 71 -3.944 8.313 7.331 1.00 0.00 C ATOM 1105 O LYS A 71 -4.724 9.248 7.144 1.00 0.00 O ATOM 1106 CB LYS A 71 -3.453 6.951 9.465 1.00 0.00 C ATOM 1107 CG LYS A 71 -3.640 8.060 10.508 1.00 0.00 C ATOM 1108 CD LYS A 71 -2.674 7.896 11.697 1.00 0.00 C ATOM 1109 CE LYS A 71 -3.207 7.074 12.889 1.00 0.00 C ATOM 1110 NZ LYS A 71 -3.378 5.640 12.584 1.00 0.00 N ATOM 0 H LYS A 71 -3.665 5.198 7.785 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.352 7.337 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.669 5.987 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.409 6.928 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.478 9.031 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.668 8.048 10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.760 7.425 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.400 8.888 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.521 7.180 13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.165 7.487 13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.523 5.112 13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.204 5.513 11.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.527 5.283 12.103 1.00 0.00 H new ATOM 1124 N LYS A 72 -2.729 8.281 6.770 1.00 0.00 N ATOM 1125 CA LYS A 72 -2.096 9.471 6.197 1.00 0.00 C ATOM 1126 C LYS A 72 -2.567 9.862 4.802 1.00 0.00 C ATOM 1127 O LYS A 72 -2.418 11.018 4.413 1.00 0.00 O ATOM 1128 CB LYS A 72 -0.579 9.439 6.425 1.00 0.00 C ATOM 1129 CG LYS A 72 0.381 10.488 5.821 1.00 0.00 C ATOM 1130 CD LYS A 72 1.007 10.084 4.480 1.00 0.00 C ATOM 1131 CE LYS A 72 2.187 10.995 4.074 1.00 0.00 C ATOM 1132 NZ LYS A 72 3.401 10.805 4.905 1.00 0.00 N ATOM 0 H LYS A 72 -2.162 7.436 6.702 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.465 10.330 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.427 9.464 7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.233 8.466 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.162 11.423 5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.180 10.684 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.354 9.053 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.244 10.117 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.439 10.805 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.871 12.036 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.060 11.593 4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.133 10.779 5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.862 9.910 4.646 1.00 0.00 H new ATOM 1146 N ILE A 73 -3.216 8.960 4.076 1.00 0.00 N ATOM 1147 CA ILE A 73 -3.930 9.356 2.855 1.00 0.00 C ATOM 1148 C ILE A 73 -5.056 10.349 3.153 1.00 0.00 C ATOM 1149 O ILE A 73 -5.427 11.129 2.277 1.00 0.00 O ATOM 1150 CB ILE A 73 -4.507 8.175 2.075 1.00 0.00 C ATOM 1151 CG1 ILE A 73 -5.330 7.258 2.977 1.00 0.00 C ATOM 1152 CG2 ILE A 73 -3.393 7.408 1.357 1.00 0.00 C ATOM 1153 CD1 ILE A 73 -6.591 6.752 2.285 1.00 0.00 C ATOM 0 H ILE A 73 -3.267 7.966 4.300 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.172 9.831 2.232 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.185 8.569 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.719 6.408 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.606 7.795 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.823 6.571 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.882 8.074 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.679 7.032 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.144 6.104 2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.216 7.599 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.316 6.191 1.392 1.00 0.00 H new ATOM 1165 N SER A 74 -5.593 10.334 4.374 1.00 0.00 N ATOM 1166 CA SER A 74 -6.463 11.387 4.881 1.00 0.00 C ATOM 1167 C SER A 74 -5.850 11.917 6.181 1.00 0.00 C ATOM 1168 O SER A 74 -6.516 12.026 7.215 1.00 0.00 O ATOM 1169 CB SER A 74 -7.904 10.883 5.046 1.00 0.00 C ATOM 1170 OG SER A 74 -8.259 9.976 4.003 1.00 0.00 O ATOM 0 H SER A 74 -5.432 9.581 5.043 1.00 0.00 H new ATOM 0 HA SER A 74 -6.532 12.211 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.010 10.389 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.590 11.730 5.044 1.00 0.00 H new ATOM 0 HG SER A 74 -9.181 9.670 4.135 1.00 0.00 H new ATOM 1176 N GLN A 75 -4.549 12.229 6.115 1.00 0.00 N ATOM 1177 CA GLN A 75 -3.817 12.912 7.176 1.00 0.00 C ATOM 1178 C GLN A 75 -4.531 14.202 7.593 1.00 0.00 C ATOM 1179 O GLN A 75 -3.914 15.261 7.760 1.00 0.00 O ATOM 1180 CB GLN A 75 -2.345 13.142 6.777 1.00 0.00 C ATOM 1181 CG GLN A 75 -2.040 13.965 5.500 1.00 0.00 C ATOM 1182 CD GLN A 75 -3.192 14.212 4.512 1.00 0.00 C ATOM 1183 OE1 GLN A 75 -3.936 15.176 4.664 1.00 0.00 O ATOM 1184 NE2 GLN A 75 -3.352 13.372 3.490 1.00 0.00 N ATOM 0 H GLN A 75 -3.970 12.007 5.305 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.801 12.268 8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.849 13.634 7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.878 12.164 6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.653 14.935 5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.239 13.460 4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.723 12.576 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.103 13.525 2.817 1.00 0.00 H new