USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 421 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 33 HIS : no HE2:sc= 0.895 K(o=1.8,f=-7.2!) USER MOD Set 1.2: A 49 SER OG : rot -164:sc= 0.931 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= 1.2 (180deg=0.62) USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00549) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0849 USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0594) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 32 MET CE :methyl -168:sc= -0.437 (180deg=-0.728) USER MOD Single : A 34 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.47) USER MOD Single : A 37 CYS SG : rot -31:sc= -0.514 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc=-0.00226 (180deg=-0.121) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.293 9.686 13.028 1.00 0.00 N ATOM 2 CA MET A 1 -6.127 9.480 12.141 1.00 0.00 C ATOM 3 C MET A 1 -5.690 8.024 12.177 1.00 0.00 C ATOM 4 O MET A 1 -5.787 7.364 13.212 1.00 0.00 O ATOM 5 CB MET A 1 -4.961 10.391 12.558 1.00 0.00 C ATOM 6 CG MET A 1 -4.348 10.056 13.916 1.00 0.00 C ATOM 7 SD MET A 1 -5.496 10.279 15.292 1.00 0.00 S ATOM 8 CE MET A 1 -4.451 9.816 16.672 1.00 0.00 C ATOM 0 H1 MET A 1 -7.873 10.469 12.663 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.864 8.817 13.059 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.963 9.917 13.987 1.00 0.00 H new ATOM 0 HA MET A 1 -6.420 9.737 11.123 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.182 10.333 11.798 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.312 11.423 12.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.001 9.023 13.905 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.472 10.685 14.077 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.016 9.901 17.600 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.115 8.787 16.545 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.586 10.478 16.712 1.00 0.00 H new ATOM 18 N GLY A 2 -5.236 7.520 11.040 1.00 0.00 N ATOM 19 CA GLY A 2 -4.767 6.155 10.972 1.00 0.00 C ATOM 20 C GLY A 2 -3.466 6.054 10.211 1.00 0.00 C ATOM 21 O GLY A 2 -2.505 6.756 10.523 1.00 0.00 O ATOM 0 H GLY A 2 -5.184 8.035 10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.631 5.765 11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.521 5.534 10.489 1.00 0.00 H new ATOM 25 N LEU A 3 -3.435 5.188 9.214 1.00 0.00 N ATOM 26 CA LEU A 3 -2.263 5.052 8.362 1.00 0.00 C ATOM 27 C LEU A 3 -2.175 6.229 7.400 1.00 0.00 C ATOM 28 O LEU A 3 -2.877 6.259 6.395 1.00 0.00 O ATOM 29 CB LEU A 3 -2.327 3.744 7.567 1.00 0.00 C ATOM 30 CG LEU A 3 -2.340 2.462 8.400 1.00 0.00 C ATOM 31 CD1 LEU A 3 -2.587 1.257 7.508 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.031 2.304 9.161 1.00 0.00 C ATOM 0 H LEU A 3 -4.208 4.567 8.973 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.377 5.038 8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.223 3.761 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.472 3.708 6.892 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.150 2.529 9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.594 0.351 8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.549 1.366 7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.796 1.188 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.060 1.386 9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.203 2.257 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.892 3.156 9.827 1.00 0.00 H new ATOM 43 N LYS A 4 -1.320 7.193 7.723 1.00 0.00 N ATOM 44 CA LYS A 4 -1.087 8.342 6.855 1.00 0.00 C ATOM 45 C LYS A 4 -0.291 7.904 5.628 1.00 0.00 C ATOM 46 O LYS A 4 0.401 6.886 5.671 1.00 0.00 O ATOM 47 CB LYS A 4 -0.305 9.422 7.612 1.00 0.00 C ATOM 48 CG LYS A 4 -1.134 10.220 8.606 1.00 0.00 C ATOM 49 CD LYS A 4 -1.973 11.275 7.899 1.00 0.00 C ATOM 50 CE LYS A 4 -2.702 12.171 8.890 1.00 0.00 C ATOM 51 NZ LYS A 4 -3.433 13.281 8.214 1.00 0.00 N ATOM 0 H LYS A 4 -0.774 7.201 8.584 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.048 8.750 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.521 8.949 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.133 10.110 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.785 9.547 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.476 10.700 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.331 11.884 7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.698 10.787 7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.407 11.573 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.984 12.588 9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.886 13.885 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.763 13.848 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.160 12.885 7.584 1.00 0.00 H new ATOM 61 N TRP A 5 -0.367 8.675 4.545 1.00 0.00 N ATOM 62 CA TRP A 5 0.410 8.384 3.338 1.00 0.00 C ATOM 63 C TRP A 5 1.909 8.414 3.624 1.00 0.00 C ATOM 64 O TRP A 5 2.700 7.745 2.952 1.00 0.00 O ATOM 65 CB TRP A 5 0.079 9.382 2.227 1.00 0.00 C ATOM 66 CG TRP A 5 -1.301 9.214 1.677 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.303 10.134 1.695 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.832 8.049 1.037 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.427 9.616 1.102 1.00 0.00 N ATOM 70 CE2 TRP A 5 -3.165 8.336 0.693 1.00 0.00 C ATOM 71 CE3 TRP A 5 -1.313 6.789 0.724 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.983 7.412 0.048 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -2.127 5.875 0.085 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.447 6.190 -0.247 1.00 0.00 C ATOM 0 H TRP A 5 -0.957 9.504 4.477 1.00 0.00 H new ATOM 0 HA TRP A 5 0.139 7.381 3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.188 10.395 2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.802 9.269 1.419 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.225 11.126 2.114 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.314 10.106 0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.294 6.535 0.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.004 7.652 -0.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.736 4.899 -0.163 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.057 5.452 -0.747 1.00 0.00 H new ATOM 84 N THR A 6 2.295 9.195 4.622 1.00 0.00 N ATOM 85 CA THR A 6 3.685 9.272 5.033 1.00 0.00 C ATOM 86 C THR A 6 4.116 7.965 5.704 1.00 0.00 C ATOM 87 O THR A 6 5.297 7.616 5.717 1.00 0.00 O ATOM 88 CB THR A 6 3.910 10.458 5.994 1.00 0.00 C ATOM 89 OG1 THR A 6 3.342 11.649 5.433 1.00 0.00 O ATOM 90 CG2 THR A 6 5.394 10.684 6.248 1.00 0.00 C ATOM 0 H THR A 6 1.662 9.785 5.162 1.00 0.00 H new ATOM 0 HA THR A 6 4.292 9.430 4.142 1.00 0.00 H new ATOM 0 HB THR A 6 3.426 10.223 6.942 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.485 12.400 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.523 11.526 6.928 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.828 9.788 6.693 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.896 10.900 5.305 1.00 0.00 H new ATOM 98 N ASP A 7 3.142 7.220 6.216 1.00 0.00 N ATOM 99 CA ASP A 7 3.414 5.961 6.904 1.00 0.00 C ATOM 100 C ASP A 7 3.513 4.819 5.905 1.00 0.00 C ATOM 101 O ASP A 7 2.959 3.744 6.123 1.00 0.00 O ATOM 102 CB ASP A 7 2.322 5.647 7.933 1.00 0.00 C ATOM 103 CG ASP A 7 2.229 6.688 9.027 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.288 7.179 9.478 1.00 0.00 O ATOM 105 OD2 ASP A 7 1.098 7.024 9.439 1.00 0.00 O ATOM 0 H ASP A 7 2.153 7.467 6.168 1.00 0.00 H new ATOM 0 HA ASP A 7 4.365 6.068 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.361 5.574 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.520 4.673 8.381 1.00 0.00 H new ATOM 109 N SER A 8 4.238 5.058 4.820 1.00 0.00 N ATOM 110 CA SER A 8 4.397 4.084 3.747 1.00 0.00 C ATOM 111 C SER A 8 4.876 2.734 4.281 1.00 0.00 C ATOM 112 O SER A 8 4.431 1.681 3.827 1.00 0.00 O ATOM 113 CB SER A 8 5.390 4.627 2.723 1.00 0.00 C ATOM 114 OG SER A 8 6.553 5.126 3.370 1.00 0.00 O ATOM 0 H SER A 8 4.734 5.935 4.658 1.00 0.00 H new ATOM 0 HA SER A 8 3.427 3.924 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.667 3.839 2.023 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.922 5.421 2.140 1.00 0.00 H new ATOM 0 HG SER A 8 7.179 5.468 2.699 1.00 0.00 H new ATOM 119 N ARG A 9 5.763 2.781 5.266 1.00 0.00 N ATOM 120 CA ARG A 9 6.326 1.576 5.858 1.00 0.00 C ATOM 121 C ARG A 9 5.250 0.802 6.615 1.00 0.00 C ATOM 122 O ARG A 9 5.134 -0.415 6.481 1.00 0.00 O ATOM 123 CB ARG A 9 7.470 1.954 6.797 1.00 0.00 C ATOM 124 CG ARG A 9 8.315 0.778 7.263 1.00 0.00 C ATOM 125 CD ARG A 9 9.396 1.228 8.238 1.00 0.00 C ATOM 126 NE ARG A 9 10.248 2.276 7.671 1.00 0.00 N ATOM 127 CZ ARG A 9 10.174 3.566 8.006 1.00 0.00 C ATOM 128 NH1 ARG A 9 9.306 3.972 8.928 1.00 0.00 N ATOM 129 NH2 ARG A 9 10.971 4.446 7.422 1.00 0.00 N ATOM 0 H ARG A 9 6.110 3.649 5.674 1.00 0.00 H new ATOM 0 HA ARG A 9 6.712 0.936 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.116 2.672 6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.056 2.457 7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.677 0.035 7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.777 0.295 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.929 1.596 9.152 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.011 0.372 8.517 1.00 0.00 H new ATOM 0 HE ARG A 9 10.942 2.002 6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.692 3.296 9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.254 4.959 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.641 4.138 6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.916 5.432 7.677 1.00 0.00 H new ATOM 140 N GLU A 10 4.444 1.523 7.388 1.00 0.00 N ATOM 141 CA GLU A 10 3.385 0.905 8.174 1.00 0.00 C ATOM 142 C GLU A 10 2.237 0.463 7.275 1.00 0.00 C ATOM 143 O GLU A 10 1.520 -0.489 7.583 1.00 0.00 O ATOM 144 CB GLU A 10 2.886 1.867 9.255 1.00 0.00 C ATOM 145 CG GLU A 10 3.964 2.234 10.262 1.00 0.00 C ATOM 146 CD GLU A 10 3.444 3.063 11.419 1.00 0.00 C ATOM 147 OE1 GLU A 10 2.926 2.472 12.389 1.00 0.00 O ATOM 148 OE2 GLU A 10 3.576 4.299 11.378 1.00 0.00 O ATOM 0 H GLU A 10 4.505 2.536 7.486 1.00 0.00 H new ATOM 0 HA GLU A 10 3.793 0.021 8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.513 2.775 8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.045 1.412 9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.414 1.321 10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.754 2.787 9.754 1.00 0.00 H new ATOM 153 N ILE A 11 2.068 1.155 6.156 1.00 0.00 N ATOM 154 CA ILE A 11 1.090 0.749 5.159 1.00 0.00 C ATOM 155 C ILE A 11 1.563 -0.529 4.470 1.00 0.00 C ATOM 156 O ILE A 11 0.765 -1.415 4.160 1.00 0.00 O ATOM 157 CB ILE A 11 0.841 1.854 4.106 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.250 3.102 4.771 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.087 1.345 3.013 1.00 0.00 C ATOM 160 CD1 ILE A 11 -0.013 4.239 3.806 1.00 0.00 C ATOM 0 H ILE A 11 2.593 1.996 5.918 1.00 0.00 H new ATOM 0 HA ILE A 11 0.146 0.569 5.673 1.00 0.00 H new ATOM 0 HB ILE A 11 1.795 2.122 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.684 2.832 5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.933 3.447 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.253 2.134 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.366 0.483 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.041 1.052 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.431 5.087 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.922 4.537 3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.720 3.913 3.043 1.00 0.00 H new ATOM 171 N GLY A 12 2.873 -0.618 4.252 1.00 0.00 N ATOM 172 CA GLY A 12 3.460 -1.823 3.701 1.00 0.00 C ATOM 173 C GLY A 12 3.179 -3.028 4.572 1.00 0.00 C ATOM 174 O GLY A 12 2.879 -4.111 4.067 1.00 0.00 O ATOM 0 H GLY A 12 3.539 0.129 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.064 -1.996 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.537 -1.690 3.599 1.00 0.00 H new ATOM 178 N GLU A 13 3.268 -2.832 5.886 1.00 0.00 N ATOM 179 CA GLU A 13 2.927 -3.878 6.844 1.00 0.00 C ATOM 180 C GLU A 13 1.492 -4.338 6.622 1.00 0.00 C ATOM 181 O GLU A 13 1.218 -5.532 6.540 1.00 0.00 O ATOM 182 CB GLU A 13 3.082 -3.378 8.283 1.00 0.00 C ATOM 183 CG GLU A 13 4.477 -2.880 8.619 1.00 0.00 C ATOM 184 CD GLU A 13 4.613 -2.477 10.072 1.00 0.00 C ATOM 185 OE1 GLU A 13 4.218 -1.347 10.425 1.00 0.00 O ATOM 186 OE2 GLU A 13 5.124 -3.289 10.876 1.00 0.00 O ATOM 0 H GLU A 13 3.574 -1.957 6.311 1.00 0.00 H new ATOM 0 HA GLU A 13 3.611 -4.713 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.369 -2.572 8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.821 -4.186 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.203 -3.661 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.718 -2.027 7.984 1.00 0.00 H new ATOM 191 N ALA A 14 0.586 -3.371 6.507 1.00 0.00 N ATOM 192 CA ALA A 14 -0.833 -3.654 6.312 1.00 0.00 C ATOM 193 C ALA A 14 -1.074 -4.433 5.026 1.00 0.00 C ATOM 194 O ALA A 14 -1.762 -5.453 5.027 1.00 0.00 O ATOM 195 CB ALA A 14 -1.635 -2.361 6.287 1.00 0.00 C ATOM 0 H ALA A 14 0.812 -2.377 6.546 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.163 -4.267 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.691 -2.590 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.506 -1.834 7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.284 -1.731 5.470 1.00 0.00 H new ATOM 201 N LEU A 15 -0.502 -3.947 3.932 1.00 0.00 N ATOM 202 CA LEU A 15 -0.708 -4.560 2.626 1.00 0.00 C ATOM 203 C LEU A 15 -0.156 -5.980 2.584 1.00 0.00 C ATOM 204 O LEU A 15 -0.791 -6.879 2.046 1.00 0.00 O ATOM 205 CB LEU A 15 -0.069 -3.723 1.516 1.00 0.00 C ATOM 206 CG LEU A 15 -0.629 -2.306 1.336 1.00 0.00 C ATOM 207 CD1 LEU A 15 -0.161 -1.724 0.018 1.00 0.00 C ATOM 208 CD2 LEU A 15 -2.148 -2.304 1.421 1.00 0.00 C ATOM 0 H LEU A 15 0.108 -3.130 3.923 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.784 -4.602 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.000 -3.647 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.181 -4.259 0.574 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.252 -1.681 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.564 -0.718 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.928 -1.682 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.510 -2.353 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.518 -1.287 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.557 -2.943 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.458 -2.681 2.396 1.00 0.00 H new ATOM 219 N TYR A 16 1.020 -6.179 3.159 1.00 0.00 N ATOM 220 CA TYR A 16 1.658 -7.489 3.154 1.00 0.00 C ATOM 221 C TYR A 16 0.907 -8.472 4.051 1.00 0.00 C ATOM 222 O TYR A 16 0.775 -9.652 3.724 1.00 0.00 O ATOM 223 CB TYR A 16 3.118 -7.365 3.600 1.00 0.00 C ATOM 224 CG TYR A 16 3.860 -8.682 3.654 1.00 0.00 C ATOM 225 CD1 TYR A 16 4.128 -9.398 2.494 1.00 0.00 C ATOM 226 CD2 TYR A 16 4.284 -9.214 4.866 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.806 -10.602 2.540 1.00 0.00 C ATOM 228 CE2 TYR A 16 4.963 -10.415 4.918 1.00 0.00 C ATOM 229 CZ TYR A 16 5.215 -11.108 3.756 1.00 0.00 C ATOM 230 OH TYR A 16 5.887 -12.307 3.809 1.00 0.00 O ATOM 0 H TYR A 16 1.553 -5.451 3.635 1.00 0.00 H new ATOM 0 HA TYR A 16 1.630 -7.878 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.640 -6.694 2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.148 -6.903 4.587 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.802 -9.008 1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.079 -8.679 5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.014 -11.143 1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.295 -10.809 5.867 1.00 0.00 H new ATOM 0 HH TYR A 16 6.104 -12.519 4.741 1.00 0.00 H new ATOM 239 N ASP A 17 0.412 -7.979 5.177 1.00 0.00 N ATOM 240 CA ASP A 17 -0.285 -8.822 6.143 1.00 0.00 C ATOM 241 C ASP A 17 -1.674 -9.199 5.637 1.00 0.00 C ATOM 242 O ASP A 17 -2.093 -10.354 5.734 1.00 0.00 O ATOM 243 CB ASP A 17 -0.397 -8.107 7.493 1.00 0.00 C ATOM 244 CG ASP A 17 -1.008 -8.982 8.571 1.00 0.00 C ATOM 245 OD1 ASP A 17 -2.247 -8.997 8.709 1.00 0.00 O ATOM 246 OD2 ASP A 17 -0.242 -9.650 9.302 1.00 0.00 O ATOM 0 H ASP A 17 0.479 -6.998 5.446 1.00 0.00 H new ATOM 0 HA ASP A 17 0.295 -9.736 6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.594 -7.784 7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.002 -7.208 7.374 1.00 0.00 H new ATOM 250 N ALA A 18 -2.385 -8.221 5.089 1.00 0.00 N ATOM 251 CA ALA A 18 -3.744 -8.442 4.617 1.00 0.00 C ATOM 252 C ALA A 18 -3.764 -9.087 3.234 1.00 0.00 C ATOM 253 O ALA A 18 -4.690 -9.825 2.900 1.00 0.00 O ATOM 254 CB ALA A 18 -4.517 -7.135 4.600 1.00 0.00 C ATOM 0 H ALA A 18 -2.043 -7.269 4.961 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.225 -9.132 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.531 -7.317 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.554 -6.721 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.021 -6.428 3.935 1.00 0.00 H new ATOM 260 N TYR A 19 -2.748 -8.810 2.432 1.00 0.00 N ATOM 261 CA TYR A 19 -2.685 -9.343 1.076 1.00 0.00 C ATOM 262 C TYR A 19 -1.359 -10.069 0.838 1.00 0.00 C ATOM 263 O TYR A 19 -0.483 -9.565 0.137 1.00 0.00 O ATOM 264 CB TYR A 19 -2.850 -8.217 0.048 1.00 0.00 C ATOM 265 CG TYR A 19 -4.056 -7.325 0.287 1.00 0.00 C ATOM 266 CD1 TYR A 19 -5.328 -7.705 -0.124 1.00 0.00 C ATOM 267 CD2 TYR A 19 -3.914 -6.100 0.930 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.423 -6.889 0.100 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.003 -5.281 1.157 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.255 -5.678 0.740 1.00 0.00 C ATOM 271 OH TYR A 19 -7.343 -4.860 0.965 1.00 0.00 O ATOM 0 H TYR A 19 -1.957 -8.221 2.693 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.501 -10.056 0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.951 -7.601 0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.929 -8.657 -0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.464 -8.652 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.935 -5.783 1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.405 -7.199 -0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.874 -4.334 1.659 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.051 -4.047 1.427 1.00 0.00 H new ATOM 280 N PRO A 20 -1.204 -11.277 1.402 1.00 0.00 N ATOM 281 CA PRO A 20 0.035 -12.045 1.295 1.00 0.00 C ATOM 282 C PRO A 20 0.166 -12.768 -0.045 1.00 0.00 C ATOM 283 O PRO A 20 1.271 -13.101 -0.480 1.00 0.00 O ATOM 284 CB PRO A 20 -0.056 -13.065 2.438 1.00 0.00 C ATOM 285 CG PRO A 20 -1.402 -12.886 3.077 1.00 0.00 C ATOM 286 CD PRO A 20 -2.216 -11.993 2.182 1.00 0.00 C ATOM 0 HA PRO A 20 0.907 -11.395 1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.059 -14.081 2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.741 -12.903 3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.895 -13.849 3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.299 -12.444 4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.884 -12.568 1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.838 -11.308 2.757 1.00 0.00 H new ATOM 291 N ASP A 21 -0.970 -13.015 -0.690 1.00 0.00 N ATOM 292 CA ASP A 21 -0.990 -13.724 -1.968 1.00 0.00 C ATOM 293 C ASP A 21 -0.880 -12.762 -3.144 1.00 0.00 C ATOM 294 O ASP A 21 -0.796 -13.185 -4.298 1.00 0.00 O ATOM 295 CB ASP A 21 -2.263 -14.563 -2.112 1.00 0.00 C ATOM 296 CG ASP A 21 -2.238 -15.817 -1.264 1.00 0.00 C ATOM 297 OD1 ASP A 21 -1.724 -16.849 -1.740 1.00 0.00 O ATOM 298 OD2 ASP A 21 -2.748 -15.786 -0.125 1.00 0.00 O ATOM 0 H ASP A 21 -1.890 -12.735 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.123 -14.385 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.125 -13.958 -1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.394 -14.840 -3.158 1.00 0.00 H new ATOM 302 N LEU A 22 -0.876 -11.470 -2.856 1.00 0.00 N ATOM 303 CA LEU A 22 -0.777 -10.469 -3.900 1.00 0.00 C ATOM 304 C LEU A 22 0.663 -10.013 -4.071 1.00 0.00 C ATOM 305 O LEU A 22 1.209 -9.307 -3.225 1.00 0.00 O ATOM 306 CB LEU A 22 -1.684 -9.273 -3.600 1.00 0.00 C ATOM 307 CG LEU A 22 -3.185 -9.570 -3.626 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.985 -8.287 -3.475 1.00 0.00 C ATOM 309 CD2 LEU A 22 -3.565 -10.285 -4.915 1.00 0.00 C ATOM 0 H LEU A 22 -0.940 -11.093 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.110 -10.923 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.425 -8.879 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.473 -8.487 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.420 -10.224 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.050 -8.518 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.735 -7.812 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.744 -7.610 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.636 -10.488 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.314 -9.655 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.017 -11.225 -4.985 1.00 0.00 H new ATOM 320 N ASP A 23 1.270 -10.447 -5.165 1.00 0.00 N ATOM 321 CA ASP A 23 2.633 -10.058 -5.499 1.00 0.00 C ATOM 322 C ASP A 23 2.703 -8.573 -5.845 1.00 0.00 C ATOM 323 O ASP A 23 2.011 -8.101 -6.746 1.00 0.00 O ATOM 324 CB ASP A 23 3.148 -10.897 -6.674 1.00 0.00 C ATOM 325 CG ASP A 23 4.282 -10.222 -7.416 1.00 0.00 C ATOM 326 OD1 ASP A 23 5.339 -9.971 -6.805 1.00 0.00 O ATOM 327 OD2 ASP A 23 4.111 -9.932 -8.618 1.00 0.00 O ATOM 0 H ASP A 23 0.836 -11.074 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 23 3.264 -10.238 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.486 -11.865 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.328 -11.088 -7.366 1.00 0.00 H new ATOM 331 N PRO A 24 3.547 -7.819 -5.125 1.00 0.00 N ATOM 332 CA PRO A 24 3.686 -6.369 -5.310 1.00 0.00 C ATOM 333 C PRO A 24 4.171 -5.983 -6.705 1.00 0.00 C ATOM 334 O PRO A 24 3.991 -4.845 -7.133 1.00 0.00 O ATOM 335 CB PRO A 24 4.722 -5.967 -4.256 1.00 0.00 C ATOM 336 CG PRO A 24 5.435 -7.230 -3.910 1.00 0.00 C ATOM 337 CD PRO A 24 4.425 -8.325 -4.061 1.00 0.00 C ATOM 0 HA PRO A 24 2.726 -5.865 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.412 -5.219 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.243 -5.532 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.287 -7.391 -4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.823 -7.194 -2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.892 -9.270 -4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.878 -8.500 -3.135 1.00 0.00 H new ATOM 342 N LYS A 25 4.783 -6.927 -7.417 1.00 0.00 N ATOM 343 CA LYS A 25 5.261 -6.660 -8.768 1.00 0.00 C ATOM 344 C LYS A 25 4.081 -6.553 -9.731 1.00 0.00 C ATOM 345 O LYS A 25 4.014 -5.633 -10.547 1.00 0.00 O ATOM 346 CB LYS A 25 6.213 -7.757 -9.254 1.00 0.00 C ATOM 347 CG LYS A 25 7.373 -8.051 -8.317 1.00 0.00 C ATOM 348 CD LYS A 25 8.302 -9.095 -8.917 1.00 0.00 C ATOM 349 CE LYS A 25 9.340 -9.583 -7.918 1.00 0.00 C ATOM 350 NZ LYS A 25 10.155 -8.472 -7.362 1.00 0.00 N ATOM 0 H LYS A 25 4.958 -7.875 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 25 5.806 -5.716 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.643 -8.674 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.613 -7.468 -10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.928 -7.134 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.992 -8.405 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.714 -9.942 -9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.807 -8.673 -9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.839 -10.106 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.997 -10.305 -8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.943 -8.863 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.533 -7.895 -8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.561 -7.879 -6.748 1.00 0.00 H new ATOM 360 N THR A 26 3.149 -7.495 -9.625 1.00 0.00 N ATOM 361 CA THR A 26 1.982 -7.519 -10.497 1.00 0.00 C ATOM 362 C THR A 26 0.944 -6.484 -10.050 1.00 0.00 C ATOM 363 O THR A 26 0.053 -6.106 -10.817 1.00 0.00 O ATOM 364 CB THR A 26 1.345 -8.933 -10.547 1.00 0.00 C ATOM 365 OG1 THR A 26 0.372 -9.007 -11.600 1.00 0.00 O ATOM 366 CG2 THR A 26 0.684 -9.293 -9.225 1.00 0.00 C ATOM 0 H THR A 26 3.180 -8.252 -8.943 1.00 0.00 H new ATOM 0 HA THR A 26 2.318 -7.262 -11.502 1.00 0.00 H new ATOM 0 HB THR A 26 2.147 -9.645 -10.739 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.020 -9.905 -11.620 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.248 -10.290 -9.296 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.429 -9.278 -8.430 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.100 -8.569 -9.001 1.00 0.00 H new ATOM 374 N VAL A 27 1.066 -6.025 -8.810 1.00 0.00 N ATOM 375 CA VAL A 27 0.189 -4.982 -8.292 1.00 0.00 C ATOM 376 C VAL A 27 0.589 -3.617 -8.848 1.00 0.00 C ATOM 377 O VAL A 27 1.726 -3.176 -8.682 1.00 0.00 O ATOM 378 CB VAL A 27 0.207 -4.931 -6.749 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.589 -3.739 -6.237 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.346 -6.224 -6.170 1.00 0.00 C ATOM 0 H VAL A 27 1.764 -6.359 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.823 -5.226 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 27 1.241 -4.816 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.562 -3.724 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.153 -2.818 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.623 -3.820 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.327 -6.173 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.373 -6.365 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.264 -7.063 -6.505 1.00 0.00 H new ATOM 390 N ARG A 28 -0.348 -2.961 -9.517 1.00 0.00 N ATOM 391 CA ARG A 28 -0.099 -1.642 -10.078 1.00 0.00 C ATOM 392 C ARG A 28 -0.484 -0.563 -9.077 1.00 0.00 C ATOM 393 O ARG A 28 -1.204 -0.843 -8.114 1.00 0.00 O ATOM 394 CB ARG A 28 -0.886 -1.459 -11.375 1.00 0.00 C ATOM 395 CG ARG A 28 -0.589 -2.528 -12.411 1.00 0.00 C ATOM 396 CD ARG A 28 -1.508 -2.415 -13.615 1.00 0.00 C ATOM 397 NE ARG A 28 -1.235 -3.458 -14.607 1.00 0.00 N ATOM 398 CZ ARG A 28 -1.776 -3.486 -15.825 1.00 0.00 C ATOM 399 NH1 ARG A 28 -2.642 -2.544 -16.192 1.00 0.00 N ATOM 400 NH2 ARG A 28 -1.458 -4.457 -16.672 1.00 0.00 N ATOM 0 H ARG A 28 -1.288 -3.321 -9.684 1.00 0.00 H new ATOM 0 HA ARG A 28 0.965 -1.554 -10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.952 -1.467 -11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.657 -0.480 -11.796 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.448 -2.442 -12.736 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.701 -3.514 -11.959 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.545 -2.486 -13.288 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.385 -1.435 -14.075 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.593 -4.208 -14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.892 -1.800 -15.541 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.055 -2.566 -17.124 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.799 -5.183 -16.391 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.873 -4.477 -17.604 1.00 0.00 H new ATOM 411 N PHE A 29 -0.023 0.661 -9.296 1.00 0.00 N ATOM 412 CA PHE A 29 -0.333 1.758 -8.384 1.00 0.00 C ATOM 413 C PHE A 29 -1.842 1.959 -8.297 1.00 0.00 C ATOM 414 O PHE A 29 -2.399 2.136 -7.209 1.00 0.00 O ATOM 415 CB PHE A 29 0.339 3.053 -8.844 1.00 0.00 C ATOM 416 CG PHE A 29 1.837 2.957 -8.941 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.618 2.927 -7.798 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.461 2.893 -10.177 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.994 2.840 -7.885 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.838 2.807 -10.269 1.00 0.00 C ATOM 421 CZ PHE A 29 4.606 2.776 -9.121 1.00 0.00 C ATOM 0 H PHE A 29 0.562 0.920 -10.090 1.00 0.00 H new ATOM 0 HA PHE A 29 0.051 1.500 -7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.062 3.333 -9.818 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.079 3.853 -8.150 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.146 2.972 -6.828 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.865 2.910 -11.078 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.591 2.822 -6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.313 2.764 -11.238 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.681 2.702 -9.190 1.00 0.00 H new ATOM 430 N THR A 30 -2.492 1.890 -9.451 1.00 0.00 N ATOM 431 CA THR A 30 -3.935 2.061 -9.551 1.00 0.00 C ATOM 432 C THR A 30 -4.685 0.987 -8.756 1.00 0.00 C ATOM 433 O THR A 30 -5.770 1.232 -8.228 1.00 0.00 O ATOM 434 CB THR A 30 -4.373 2.006 -11.027 1.00 0.00 C ATOM 435 OG1 THR A 30 -3.470 2.789 -11.823 1.00 0.00 O ATOM 436 CG2 THR A 30 -5.787 2.532 -11.200 1.00 0.00 C ATOM 0 H THR A 30 -2.033 1.714 -10.345 1.00 0.00 H new ATOM 0 HA THR A 30 -4.182 3.035 -9.128 1.00 0.00 H new ATOM 0 HB THR A 30 -4.353 0.966 -11.352 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.747 2.753 -12.762 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.068 2.481 -12.252 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.475 1.926 -10.610 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.834 3.567 -10.862 1.00 0.00 H new ATOM 444 N ASP A 31 -4.089 -0.194 -8.657 1.00 0.00 N ATOM 445 CA ASP A 31 -4.721 -1.308 -7.959 1.00 0.00 C ATOM 446 C ASP A 31 -4.474 -1.209 -6.465 1.00 0.00 C ATOM 447 O ASP A 31 -5.387 -1.387 -5.663 1.00 0.00 O ATOM 448 CB ASP A 31 -4.197 -2.647 -8.476 1.00 0.00 C ATOM 449 CG ASP A 31 -4.398 -2.815 -9.963 1.00 0.00 C ATOM 450 OD1 ASP A 31 -5.509 -2.528 -10.460 1.00 0.00 O ATOM 451 OD2 ASP A 31 -3.445 -3.248 -10.642 1.00 0.00 O ATOM 0 H ASP A 31 -3.172 -0.406 -9.050 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.793 -1.254 -8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.135 -2.731 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.702 -3.458 -7.951 1.00 0.00 H new ATOM 455 N MET A 32 -3.234 -0.914 -6.097 1.00 0.00 N ATOM 456 CA MET A 32 -2.865 -0.762 -4.695 1.00 0.00 C ATOM 457 C MET A 32 -3.686 0.359 -4.062 1.00 0.00 C ATOM 458 O MET A 32 -4.134 0.246 -2.920 1.00 0.00 O ATOM 459 CB MET A 32 -1.362 -0.473 -4.580 1.00 0.00 C ATOM 460 CG MET A 32 -0.800 -0.655 -3.179 1.00 0.00 C ATOM 461 SD MET A 32 -1.190 0.709 -2.068 1.00 0.00 S ATOM 462 CE MET A 32 -0.108 1.980 -2.705 1.00 0.00 C ATOM 0 H MET A 32 -2.464 -0.775 -6.752 1.00 0.00 H new ATOM 0 HA MET A 32 -3.078 -1.688 -4.161 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.823 -1.129 -5.264 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.174 0.550 -4.905 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.190 -1.581 -2.756 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.283 -0.765 -3.241 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.071 2.812 -2.002 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.894 1.572 -2.837 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.486 2.332 -3.665 1.00 0.00 H new ATOM 470 N HIS A 33 -3.914 1.423 -4.833 1.00 0.00 N ATOM 471 CA HIS A 33 -4.700 2.567 -4.374 1.00 0.00 C ATOM 472 C HIS A 33 -6.105 2.138 -3.956 1.00 0.00 C ATOM 473 O HIS A 33 -6.704 2.734 -3.060 1.00 0.00 O ATOM 474 CB HIS A 33 -4.793 3.624 -5.478 1.00 0.00 C ATOM 475 CG HIS A 33 -5.337 4.941 -5.010 1.00 0.00 C ATOM 476 ND1 HIS A 33 -6.669 5.296 -5.092 1.00 0.00 N ATOM 477 CD2 HIS A 33 -4.707 5.996 -4.448 1.00 0.00 C ATOM 478 CE1 HIS A 33 -6.828 6.513 -4.601 1.00 0.00 C ATOM 479 NE2 HIS A 33 -5.653 6.959 -4.202 1.00 0.00 N ATOM 0 H HIS A 33 -3.562 1.515 -5.786 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.195 2.992 -3.507 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.801 3.781 -5.902 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.426 3.244 -6.280 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.413 4.711 -5.472 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.651 6.068 -4.232 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.762 7.051 -4.537 1.00 0.00 H new ATOM 487 N GLN A 34 -6.618 1.099 -4.601 1.00 0.00 N ATOM 488 CA GLN A 34 -7.955 0.600 -4.311 1.00 0.00 C ATOM 489 C GLN A 34 -7.990 -0.029 -2.930 1.00 0.00 C ATOM 490 O GLN A 34 -8.816 0.323 -2.089 1.00 0.00 O ATOM 491 CB GLN A 34 -8.376 -0.441 -5.352 1.00 0.00 C ATOM 492 CG GLN A 34 -8.367 0.079 -6.777 1.00 0.00 C ATOM 493 CD GLN A 34 -8.681 -0.999 -7.794 1.00 0.00 C ATOM 494 OE1 GLN A 34 -9.428 -1.940 -7.517 1.00 0.00 O ATOM 495 NE2 GLN A 34 -8.101 -0.884 -8.974 1.00 0.00 N ATOM 0 H GLN A 34 -6.126 0.584 -5.331 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.648 1.440 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.708 -1.299 -5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.378 -0.797 -5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.096 0.884 -6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.389 0.507 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.489 -0.091 -9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.265 -1.588 -9.694 1.00 0.00 H new ATOM 502 N TRP A 35 -7.058 -0.937 -2.699 1.00 0.00 N ATOM 503 CA TRP A 35 -7.022 -1.704 -1.468 1.00 0.00 C ATOM 504 C TRP A 35 -6.573 -0.846 -0.300 1.00 0.00 C ATOM 505 O TRP A 35 -7.099 -0.974 0.801 1.00 0.00 O ATOM 506 CB TRP A 35 -6.096 -2.908 -1.627 1.00 0.00 C ATOM 507 CG TRP A 35 -6.394 -3.711 -2.856 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.624 -4.064 -3.327 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.442 -4.260 -3.771 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.495 -4.790 -4.484 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.166 -4.929 -4.775 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.050 -4.251 -3.838 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.544 -5.579 -5.834 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.433 -4.898 -4.889 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.179 -5.555 -5.875 1.00 0.00 C ATOM 0 H TRP A 35 -6.310 -1.162 -3.355 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.032 -2.056 -1.258 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.063 -2.563 -1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.186 -3.548 -0.749 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.563 -3.809 -2.858 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.265 -5.165 -5.037 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.466 -3.747 -3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.118 -6.084 -6.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.355 -4.898 -4.952 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.665 -6.053 -6.684 1.00 0.00 H new ATOM 525 N ILE A 36 -5.613 0.036 -0.546 1.00 0.00 N ATOM 526 CA ILE A 36 -5.095 0.906 0.499 1.00 0.00 C ATOM 527 C ILE A 36 -6.178 1.901 0.938 1.00 0.00 C ATOM 528 O ILE A 36 -6.257 2.272 2.106 1.00 0.00 O ATOM 529 CB ILE A 36 -3.786 1.617 0.035 1.00 0.00 C ATOM 530 CG1 ILE A 36 -2.906 2.027 1.229 1.00 0.00 C ATOM 531 CG2 ILE A 36 -4.066 2.822 -0.857 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.418 3.208 2.026 1.00 0.00 C ATOM 0 H ILE A 36 -5.178 0.167 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.830 0.303 1.368 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.238 0.886 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.806 1.172 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.907 2.262 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.123 3.282 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.607 2.499 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.668 3.548 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.731 3.420 2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.490 4.081 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.403 2.975 2.430 1.00 0.00 H new ATOM 543 N CYS A 37 -7.053 2.282 0.013 1.00 0.00 N ATOM 544 CA CYS A 37 -8.162 3.169 0.345 1.00 0.00 C ATOM 545 C CYS A 37 -9.299 2.370 0.980 1.00 0.00 C ATOM 546 O CYS A 37 -10.144 2.915 1.692 1.00 0.00 O ATOM 547 CB CYS A 37 -8.659 3.900 -0.907 1.00 0.00 C ATOM 548 SG CYS A 37 -9.894 5.181 -0.582 1.00 0.00 S ATOM 0 H CYS A 37 -7.017 1.993 -0.965 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.812 3.913 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.806 4.354 -1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.083 3.169 -1.595 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.601 4.848 0.457 1.00 0.00 H new ATOM 553 N ASP A 38 -9.299 1.066 0.728 1.00 0.00 N ATOM 554 CA ASP A 38 -10.319 0.176 1.270 1.00 0.00 C ATOM 555 C ASP A 38 -9.954 -0.243 2.689 1.00 0.00 C ATOM 556 O ASP A 38 -10.743 -0.879 3.388 1.00 0.00 O ATOM 557 CB ASP A 38 -10.479 -1.058 0.373 1.00 0.00 C ATOM 558 CG ASP A 38 -11.663 -1.923 0.763 1.00 0.00 C ATOM 559 OD1 ASP A 38 -12.776 -1.376 0.923 1.00 0.00 O ATOM 560 OD2 ASP A 38 -11.489 -3.155 0.902 1.00 0.00 O ATOM 0 H ASP A 38 -8.600 0.600 0.149 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.269 0.710 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.596 -0.736 -0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.568 -1.655 0.420 1.00 0.00 H new ATOM 564 N LEU A 39 -8.749 0.124 3.108 1.00 0.00 N ATOM 565 CA LEU A 39 -8.285 -0.175 4.452 1.00 0.00 C ATOM 566 C LEU A 39 -9.073 0.629 5.473 1.00 0.00 C ATOM 567 O LEU A 39 -9.230 1.843 5.335 1.00 0.00 O ATOM 568 CB LEU A 39 -6.792 0.151 4.600 1.00 0.00 C ATOM 569 CG LEU A 39 -5.853 -0.550 3.616 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.405 -0.199 3.920 1.00 0.00 C ATOM 571 CD2 LEU A 39 -6.055 -2.054 3.652 1.00 0.00 C ATOM 0 H LEU A 39 -8.076 0.630 2.533 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.436 -1.240 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.663 1.228 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.483 -0.106 5.613 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.091 -0.200 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.751 -0.706 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.266 0.879 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.158 -0.518 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.376 -2.529 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.850 -2.425 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.084 -2.289 3.382 1.00 0.00 H new ATOM 582 N GLU A 40 -9.560 -0.050 6.499 1.00 0.00 N ATOM 583 CA GLU A 40 -10.262 0.612 7.585 1.00 0.00 C ATOM 584 C GLU A 40 -9.249 1.193 8.557 1.00 0.00 C ATOM 585 O GLU A 40 -9.578 2.032 9.396 1.00 0.00 O ATOM 586 CB GLU A 40 -11.191 -0.364 8.306 1.00 0.00 C ATOM 587 CG GLU A 40 -12.312 -0.894 7.430 1.00 0.00 C ATOM 588 CD GLU A 40 -13.309 -1.726 8.206 1.00 0.00 C ATOM 589 OE1 GLU A 40 -14.177 -1.135 8.882 1.00 0.00 O ATOM 590 OE2 GLU A 40 -13.235 -2.973 8.136 1.00 0.00 O ATOM 0 H GLU A 40 -9.481 -1.062 6.602 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.874 1.415 7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.604 -1.204 8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.623 0.133 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.829 -0.057 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.887 -1.497 6.627 1.00 0.00 H new ATOM 595 N ASP A 41 -8.011 0.736 8.427 1.00 0.00 N ATOM 596 CA ASP A 41 -6.911 1.247 9.229 1.00 0.00 C ATOM 597 C ASP A 41 -6.363 2.530 8.612 1.00 0.00 C ATOM 598 O ASP A 41 -5.658 3.300 9.267 1.00 0.00 O ATOM 599 CB ASP A 41 -5.802 0.199 9.351 1.00 0.00 C ATOM 600 CG ASP A 41 -6.261 -1.056 10.070 1.00 0.00 C ATOM 601 OD1 ASP A 41 -6.154 -1.107 11.315 1.00 0.00 O ATOM 602 OD2 ASP A 41 -6.724 -1.997 9.395 1.00 0.00 O ATOM 0 H ASP A 41 -7.743 0.006 7.767 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.284 1.469 10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.447 -0.067 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.956 0.631 9.886 1.00 0.00 H new ATOM 606 N PHE A 42 -6.681 2.747 7.339 1.00 0.00 N ATOM 607 CA PHE A 42 -6.334 3.996 6.671 1.00 0.00 C ATOM 608 C PHE A 42 -7.310 5.096 7.078 1.00 0.00 C ATOM 609 O PHE A 42 -8.512 4.850 7.209 1.00 0.00 O ATOM 610 CB PHE A 42 -6.348 3.824 5.142 1.00 0.00 C ATOM 611 CG PHE A 42 -6.175 5.123 4.400 1.00 0.00 C ATOM 612 CD1 PHE A 42 -4.911 5.611 4.121 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.279 5.869 4.004 1.00 0.00 C ATOM 614 CE1 PHE A 42 -4.747 6.819 3.473 1.00 0.00 C ATOM 615 CE2 PHE A 42 -7.120 7.075 3.349 1.00 0.00 C ATOM 616 CZ PHE A 42 -5.851 7.552 3.084 1.00 0.00 C ATOM 0 H PHE A 42 -7.177 2.076 6.752 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.326 4.277 6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.552 3.138 4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.290 3.364 4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.042 5.040 4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.273 5.501 4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.754 7.191 3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.986 7.644 3.045 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.723 8.495 2.574 1.00 0.00 H new ATOM 625 N ASP A 43 -6.794 6.305 7.279 1.00 0.00 N ATOM 626 CA ASP A 43 -7.637 7.450 7.609 1.00 0.00 C ATOM 627 C ASP A 43 -6.870 8.759 7.482 1.00 0.00 C ATOM 628 O ASP A 43 -6.177 9.175 8.416 1.00 0.00 O ATOM 629 CB ASP A 43 -8.210 7.333 9.026 1.00 0.00 C ATOM 630 CG ASP A 43 -9.015 8.562 9.422 1.00 0.00 C ATOM 631 OD1 ASP A 43 -9.967 8.915 8.692 1.00 0.00 O ATOM 632 OD2 ASP A 43 -8.689 9.192 10.450 1.00 0.00 O ATOM 0 H ASP A 43 -5.798 6.517 7.219 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.460 7.451 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.845 6.449 9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.395 7.190 9.735 1.00 0.00 H new ATOM 636 N ASP A 44 -6.984 9.392 6.319 1.00 0.00 N ATOM 637 CA ASP A 44 -6.482 10.749 6.126 1.00 0.00 C ATOM 638 C ASP A 44 -7.126 11.410 4.902 1.00 0.00 C ATOM 639 O ASP A 44 -8.177 12.041 5.023 1.00 0.00 O ATOM 640 CB ASP A 44 -4.941 10.814 6.052 1.00 0.00 C ATOM 641 CG ASP A 44 -4.314 9.841 5.095 1.00 0.00 C ATOM 642 OD1 ASP A 44 -4.179 10.189 3.908 1.00 0.00 O ATOM 643 OD2 ASP A 44 -3.927 8.752 5.535 1.00 0.00 O ATOM 0 H ASP A 44 -7.422 8.985 5.492 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.772 11.315 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.647 11.824 5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.536 10.635 7.048 1.00 0.00 H new ATOM 647 N ASP A 45 -6.520 11.253 3.732 1.00 0.00 N ATOM 648 CA ASP A 45 -7.013 11.893 2.517 1.00 0.00 C ATOM 649 C ASP A 45 -6.813 11.000 1.302 1.00 0.00 C ATOM 650 O ASP A 45 -5.740 10.985 0.699 1.00 0.00 O ATOM 651 CB ASP A 45 -6.301 13.229 2.274 1.00 0.00 C ATOM 652 CG ASP A 45 -6.786 14.335 3.185 1.00 0.00 C ATOM 653 OD1 ASP A 45 -7.772 15.016 2.826 1.00 0.00 O ATOM 654 OD2 ASP A 45 -6.183 14.536 4.260 1.00 0.00 O ATOM 0 H ASP A 45 -5.683 10.686 3.598 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.079 12.069 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.229 13.093 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.450 13.530 1.237 1.00 0.00 H new ATOM 658 N PRO A 46 -7.855 10.257 0.907 1.00 0.00 N ATOM 659 CA PRO A 46 -7.820 9.420 -0.299 1.00 0.00 C ATOM 660 C PRO A 46 -7.713 10.263 -1.568 1.00 0.00 C ATOM 661 O PRO A 46 -7.394 9.757 -2.643 1.00 0.00 O ATOM 662 CB PRO A 46 -9.159 8.675 -0.257 1.00 0.00 C ATOM 663 CG PRO A 46 -10.046 9.525 0.587 1.00 0.00 C ATOM 664 CD PRO A 46 -9.151 10.176 1.601 1.00 0.00 C ATOM 0 HA PRO A 46 -6.956 8.756 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.571 8.547 -1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.043 7.679 0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.560 10.273 -0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.815 8.924 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.517 11.162 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.082 9.585 2.515 1.00 0.00 H new ATOM 669 N GLN A 47 -7.979 11.559 -1.421 1.00 0.00 N ATOM 670 CA GLN A 47 -7.921 12.499 -2.532 1.00 0.00 C ATOM 671 C GLN A 47 -6.477 12.922 -2.815 1.00 0.00 C ATOM 672 O GLN A 47 -6.179 13.492 -3.867 1.00 0.00 O ATOM 673 CB GLN A 47 -8.787 13.723 -2.215 1.00 0.00 C ATOM 674 CG GLN A 47 -8.858 14.749 -3.326 1.00 0.00 C ATOM 675 CD GLN A 47 -9.821 15.877 -3.013 1.00 0.00 C ATOM 676 OE1 GLN A 47 -11.002 15.805 -3.348 1.00 0.00 O ATOM 677 NE2 GLN A 47 -9.329 16.917 -2.358 1.00 0.00 N ATOM 0 H GLN A 47 -8.240 11.983 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.306 12.009 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.798 13.387 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.398 14.204 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.864 15.162 -3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.165 14.259 -4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.343 16.936 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.936 17.699 -2.112 1.00 0.00 H new ATOM 684 N ALA A 48 -5.581 12.649 -1.873 1.00 0.00 N ATOM 685 CA ALA A 48 -4.174 12.975 -2.055 1.00 0.00 C ATOM 686 C ALA A 48 -3.455 11.841 -2.773 1.00 0.00 C ATOM 687 O ALA A 48 -3.492 11.759 -4.000 1.00 0.00 O ATOM 688 CB ALA A 48 -3.503 13.270 -0.720 1.00 0.00 C ATOM 0 H ALA A 48 -5.803 12.206 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.112 13.873 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.453 13.510 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.998 14.116 -0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.577 12.395 -0.074 1.00 0.00 H new ATOM 694 N SER A 49 -2.837 10.956 -1.989 1.00 0.00 N ATOM 695 CA SER A 49 -2.134 9.779 -2.504 1.00 0.00 C ATOM 696 C SER A 49 -1.278 10.095 -3.725 1.00 0.00 C ATOM 697 O SER A 49 -1.539 9.593 -4.820 1.00 0.00 O ATOM 698 CB SER A 49 -3.130 8.666 -2.834 1.00 0.00 C ATOM 699 OG SER A 49 -4.217 9.150 -3.610 1.00 0.00 O ATOM 0 H SER A 49 -2.810 11.036 -0.973 1.00 0.00 H new ATOM 0 HA SER A 49 -1.459 9.443 -1.716 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.620 7.870 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.508 8.229 -1.910 1.00 0.00 H new ATOM 0 HG SER A 49 -4.950 8.500 -3.588 1.00 0.00 H new ATOM 704 N ASN A 50 -0.272 10.936 -3.539 1.00 0.00 N ATOM 705 CA ASN A 50 0.668 11.236 -4.615 1.00 0.00 C ATOM 706 C ASN A 50 1.365 9.962 -5.078 1.00 0.00 C ATOM 707 O ASN A 50 1.544 9.024 -4.299 1.00 0.00 O ATOM 708 CB ASN A 50 1.708 12.269 -4.168 1.00 0.00 C ATOM 709 CG ASN A 50 1.097 13.623 -3.863 1.00 0.00 C ATOM 710 OD1 ASN A 50 0.067 13.996 -4.428 1.00 0.00 O ATOM 711 ND2 ASN A 50 1.731 14.372 -2.977 1.00 0.00 N ATOM 0 H ASN A 50 -0.084 11.421 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 50 0.103 11.657 -5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.223 11.899 -3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.460 12.382 -4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.370 15.296 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.581 14.026 -2.532 1.00 0.00 H new ATOM 717 N GLU A 51 1.748 9.930 -6.344 1.00 0.00 N ATOM 718 CA GLU A 51 2.399 8.761 -6.929 1.00 0.00 C ATOM 719 C GLU A 51 3.710 8.450 -6.208 1.00 0.00 C ATOM 720 O GLU A 51 4.089 7.286 -6.069 1.00 0.00 O ATOM 721 CB GLU A 51 2.651 8.966 -8.432 1.00 0.00 C ATOM 722 CG GLU A 51 3.682 10.040 -8.767 1.00 0.00 C ATOM 723 CD GLU A 51 3.252 11.437 -8.360 1.00 0.00 C ATOM 724 OE1 GLU A 51 2.554 12.104 -9.152 1.00 0.00 O ATOM 725 OE2 GLU A 51 3.591 11.867 -7.237 1.00 0.00 O ATOM 0 H GLU A 51 1.619 10.706 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 51 1.728 7.911 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.979 8.020 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.708 9.225 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.622 9.798 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.875 10.026 -9.840 1.00 0.00 H new ATOM 730 N LYS A 52 4.389 9.496 -5.746 1.00 0.00 N ATOM 731 CA LYS A 52 5.621 9.338 -4.979 1.00 0.00 C ATOM 732 C LYS A 52 5.344 8.569 -3.688 1.00 0.00 C ATOM 733 O LYS A 52 6.172 7.780 -3.228 1.00 0.00 O ATOM 734 CB LYS A 52 6.228 10.705 -4.660 1.00 0.00 C ATOM 735 CG LYS A 52 6.428 11.578 -5.889 1.00 0.00 C ATOM 736 CD LYS A 52 7.103 12.893 -5.542 1.00 0.00 C ATOM 737 CE LYS A 52 8.582 12.700 -5.241 1.00 0.00 C ATOM 738 NZ LYS A 52 9.360 12.399 -6.471 1.00 0.00 N ATOM 0 H LYS A 52 4.106 10.465 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 52 6.334 8.772 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.581 11.226 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.189 10.561 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.031 11.042 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.463 11.777 -6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.988 13.592 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.610 13.339 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.978 13.600 -4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.704 11.887 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.376 12.491 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.155 11.428 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.094 13.067 -7.222 1.00 0.00 H new ATOM 748 N ILE A 53 4.161 8.802 -3.128 1.00 0.00 N ATOM 749 CA ILE A 53 3.697 8.077 -1.950 1.00 0.00 C ATOM 750 C ILE A 53 3.486 6.611 -2.299 1.00 0.00 C ATOM 751 O ILE A 53 4.010 5.711 -1.642 1.00 0.00 O ATOM 752 CB ILE A 53 2.351 8.640 -1.437 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.476 10.121 -1.051 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.845 7.812 -0.267 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.291 10.367 0.198 1.00 0.00 C ATOM 0 H ILE A 53 3.499 9.496 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 53 4.456 8.190 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 53 1.624 8.575 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.929 10.664 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.477 10.533 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.897 8.220 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.700 6.780 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.575 7.842 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.331 11.437 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.828 9.854 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.302 9.987 0.053 1.00 0.00 H new ATOM 766 N LEU A 54 2.720 6.397 -3.360 1.00 0.00 N ATOM 767 CA LEU A 54 2.337 5.063 -3.795 1.00 0.00 C ATOM 768 C LEU A 54 3.562 4.212 -4.118 1.00 0.00 C ATOM 769 O LEU A 54 3.574 3.007 -3.860 1.00 0.00 O ATOM 770 CB LEU A 54 1.426 5.165 -5.020 1.00 0.00 C ATOM 771 CG LEU A 54 0.195 6.062 -4.843 1.00 0.00 C ATOM 772 CD1 LEU A 54 -0.494 6.286 -6.180 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.782 5.466 -3.831 1.00 0.00 C ATOM 0 H LEU A 54 2.347 7.146 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 54 1.800 4.576 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.012 5.540 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.091 4.163 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 54 0.532 7.024 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.366 6.925 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.199 6.767 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.810 5.327 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.645 6.124 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.113 4.487 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.287 5.361 -2.866 1.00 0.00 H new ATOM 784 N GLU A 55 4.592 4.844 -4.676 1.00 0.00 N ATOM 785 CA GLU A 55 5.834 4.148 -4.988 1.00 0.00 C ATOM 786 C GLU A 55 6.499 3.630 -3.720 1.00 0.00 C ATOM 787 O GLU A 55 6.918 2.477 -3.659 1.00 0.00 O ATOM 788 CB GLU A 55 6.801 5.059 -5.749 1.00 0.00 C ATOM 789 CG GLU A 55 8.155 4.413 -5.997 1.00 0.00 C ATOM 790 CD GLU A 55 9.098 5.288 -6.790 1.00 0.00 C ATOM 791 OE1 GLU A 55 9.318 6.452 -6.392 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.637 4.813 -7.809 1.00 0.00 O ATOM 0 H GLU A 55 4.590 5.834 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 55 5.584 3.300 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.356 5.335 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.942 5.981 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.615 4.170 -5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.009 3.473 -6.528 1.00 0.00 H new ATOM 797 N ALA A 56 6.578 4.481 -2.705 1.00 0.00 N ATOM 798 CA ALA A 56 7.203 4.107 -1.443 1.00 0.00 C ATOM 799 C ALA A 56 6.471 2.933 -0.803 1.00 0.00 C ATOM 800 O ALA A 56 7.091 2.033 -0.233 1.00 0.00 O ATOM 801 CB ALA A 56 7.238 5.296 -0.496 1.00 0.00 C ATOM 0 H ALA A 56 6.217 5.435 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 56 8.228 3.796 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.708 5.000 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.810 6.105 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.221 5.636 -0.301 1.00 0.00 H new ATOM 807 N ILE A 57 5.150 2.938 -0.928 1.00 0.00 N ATOM 808 CA ILE A 57 4.320 1.872 -0.383 1.00 0.00 C ATOM 809 C ILE A 57 4.540 0.573 -1.156 1.00 0.00 C ATOM 810 O ILE A 57 4.559 -0.516 -0.584 1.00 0.00 O ATOM 811 CB ILE A 57 2.826 2.256 -0.430 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.590 3.553 0.343 1.00 0.00 C ATOM 813 CG2 ILE A 57 1.962 1.138 0.136 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.168 4.063 0.254 1.00 0.00 C ATOM 0 H ILE A 57 4.628 3.673 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 57 4.610 1.723 0.657 1.00 0.00 H new ATOM 0 HB ILE A 57 2.544 2.410 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.844 3.393 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.266 4.320 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.913 1.431 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.110 0.231 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.243 0.950 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.076 4.986 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.915 4.256 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.487 3.315 0.660 1.00 0.00 H new ATOM 825 N LEU A 58 4.724 0.702 -2.461 1.00 0.00 N ATOM 826 CA LEU A 58 4.959 -0.449 -3.322 1.00 0.00 C ATOM 827 C LEU A 58 6.352 -1.023 -3.051 1.00 0.00 C ATOM 828 O LEU A 58 6.535 -2.239 -2.989 1.00 0.00 O ATOM 829 CB LEU A 58 4.808 -0.027 -4.793 1.00 0.00 C ATOM 830 CG LEU A 58 4.433 -1.138 -5.789 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.593 -2.090 -6.023 1.00 0.00 C ATOM 832 CD2 LEU A 58 3.208 -1.900 -5.300 1.00 0.00 C ATOM 0 H LEU A 58 4.715 1.597 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 58 4.226 -1.227 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.048 0.752 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.747 0.420 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 58 4.195 -0.664 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.293 -2.862 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.442 -1.537 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.878 -2.555 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.956 -2.682 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.423 -2.351 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.367 -1.213 -5.202 1.00 0.00 H new ATOM 843 N LEU A 59 7.325 -0.135 -2.858 1.00 0.00 N ATOM 844 CA LEU A 59 8.706 -0.540 -2.605 1.00 0.00 C ATOM 845 C LEU A 59 8.824 -1.364 -1.327 1.00 0.00 C ATOM 846 O LEU A 59 9.501 -2.392 -1.305 1.00 0.00 O ATOM 847 CB LEU A 59 9.623 0.683 -2.514 1.00 0.00 C ATOM 848 CG LEU A 59 9.819 1.459 -3.820 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.702 2.675 -3.586 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.425 0.560 -4.889 1.00 0.00 C ATOM 0 H LEU A 59 7.181 0.875 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 59 9.018 -1.161 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.219 1.363 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.599 0.357 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 59 8.844 1.800 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.832 3.216 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.233 3.329 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.675 2.352 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.557 1.128 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.392 0.191 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.760 -0.283 -5.075 1.00 0.00 H new ATOM 861 N VAL A 60 8.166 -0.915 -0.263 1.00 0.00 N ATOM 862 CA VAL A 60 8.223 -1.631 1.006 1.00 0.00 C ATOM 863 C VAL A 60 7.480 -2.964 0.901 1.00 0.00 C ATOM 864 O VAL A 60 7.863 -3.948 1.533 1.00 0.00 O ATOM 865 CB VAL A 60 7.671 -0.781 2.182 1.00 0.00 C ATOM 866 CG1 VAL A 60 6.197 -0.465 1.999 1.00 0.00 C ATOM 867 CG2 VAL A 60 7.915 -1.478 3.516 1.00 0.00 C ATOM 0 H VAL A 60 7.594 -0.070 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 60 9.273 -1.830 1.222 1.00 0.00 H new ATOM 0 HB VAL A 60 8.212 0.165 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.845 0.131 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.057 0.095 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.629 -1.394 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.520 -0.864 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.414 -2.446 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.986 -1.623 3.660 1.00 0.00 H new ATOM 877 N TRP A 61 6.441 -3.002 0.069 1.00 0.00 N ATOM 878 CA TRP A 61 5.719 -4.240 -0.186 1.00 0.00 C ATOM 879 C TRP A 61 6.642 -5.225 -0.905 1.00 0.00 C ATOM 880 O TRP A 61 6.681 -6.410 -0.573 1.00 0.00 O ATOM 881 CB TRP A 61 4.462 -3.964 -1.020 1.00 0.00 C ATOM 882 CG TRP A 61 3.433 -5.063 -0.977 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.560 -6.300 -0.407 1.00 0.00 C ATOM 884 CD2 TRP A 61 2.113 -5.013 -1.529 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.400 -7.018 -0.575 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.497 -6.251 -1.258 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.390 -4.042 -2.226 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.195 -6.538 -1.658 1.00 0.00 C ATOM 889 CZ3 TRP A 61 0.098 -4.329 -2.621 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.487 -5.568 -2.336 1.00 0.00 C ATOM 0 H TRP A 61 6.084 -2.191 -0.437 1.00 0.00 H new ATOM 0 HA TRP A 61 5.403 -4.676 0.761 1.00 0.00 H new ATOM 0 HB2 TRP A 61 4.003 -3.040 -0.669 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.757 -3.800 -2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.443 -6.660 0.101 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.239 -7.969 -0.244 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.834 -3.084 -2.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.260 -7.493 -1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.470 -3.585 -3.159 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.499 -5.761 -2.659 1.00 0.00 H new ATOM 900 N LEU A 62 7.400 -4.714 -1.876 1.00 0.00 N ATOM 901 CA LEU A 62 8.399 -5.515 -2.586 1.00 0.00 C ATOM 902 C LEU A 62 9.414 -6.097 -1.613 1.00 0.00 C ATOM 903 O LEU A 62 9.835 -7.244 -1.748 1.00 0.00 O ATOM 904 CB LEU A 62 9.143 -4.659 -3.619 1.00 0.00 C ATOM 905 CG LEU A 62 8.338 -4.242 -4.847 1.00 0.00 C ATOM 906 CD1 LEU A 62 9.116 -3.222 -5.666 1.00 0.00 C ATOM 907 CD2 LEU A 62 8.005 -5.456 -5.700 1.00 0.00 C ATOM 0 H LEU A 62 7.341 -3.745 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 62 7.873 -6.325 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.504 -3.758 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.021 -5.211 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 62 7.406 -3.786 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.530 -2.933 -6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.316 -2.341 -5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.060 -3.660 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.431 -5.142 -6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.928 -5.935 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.417 -6.162 -5.114 1.00 0.00 H new ATOM 918 N ASP A 63 9.797 -5.291 -0.633 1.00 0.00 N ATOM 919 CA ASP A 63 10.814 -5.676 0.337 1.00 0.00 C ATOM 920 C ASP A 63 10.283 -6.753 1.278 1.00 0.00 C ATOM 921 O ASP A 63 10.941 -7.767 1.515 1.00 0.00 O ATOM 922 CB ASP A 63 11.255 -4.448 1.135 1.00 0.00 C ATOM 923 CG ASP A 63 12.521 -4.687 1.929 1.00 0.00 C ATOM 924 OD1 ASP A 63 13.620 -4.473 1.373 1.00 0.00 O ATOM 925 OD2 ASP A 63 12.432 -5.062 3.112 1.00 0.00 O ATOM 0 H ASP A 63 9.414 -4.357 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 63 11.671 -6.085 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.413 -3.614 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.455 -4.156 1.815 1.00 0.00 H new ATOM 929 N GLU A 64 9.080 -6.529 1.800 1.00 0.00 N ATOM 930 CA GLU A 64 8.446 -7.483 2.702 1.00 0.00 C ATOM 931 C GLU A 64 8.143 -8.797 1.990 1.00 0.00 C ATOM 932 O GLU A 64 8.375 -9.875 2.532 1.00 0.00 O ATOM 933 CB GLU A 64 7.148 -6.903 3.270 1.00 0.00 C ATOM 934 CG GLU A 64 7.353 -5.663 4.122 1.00 0.00 C ATOM 935 CD GLU A 64 8.231 -5.918 5.328 1.00 0.00 C ATOM 936 OE1 GLU A 64 7.892 -6.803 6.142 1.00 0.00 O ATOM 937 OE2 GLU A 64 9.245 -5.215 5.488 1.00 0.00 O ATOM 0 H GLU A 64 8.525 -5.694 1.613 1.00 0.00 H new ATOM 0 HA GLU A 64 9.143 -7.679 3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.478 -6.659 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.651 -7.666 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.801 -4.879 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.384 -5.293 4.456 1.00 0.00 H new ATOM 942 N ALA A 65 7.637 -8.706 0.766 1.00 0.00 N ATOM 943 CA ALA A 65 7.236 -9.887 0.012 1.00 0.00 C ATOM 944 C ALA A 65 8.394 -10.444 -0.809 1.00 0.00 C ATOM 945 O ALA A 65 8.187 -11.134 -1.810 1.00 0.00 O ATOM 946 CB ALA A 65 6.053 -9.564 -0.890 1.00 0.00 C ATOM 0 H ALA A 65 7.494 -7.824 0.274 1.00 0.00 H new ATOM 0 HA ALA A 65 6.936 -10.653 0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.765 -10.456 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.213 -9.229 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.333 -8.775 -1.588 1.00 0.00 H new ATOM 952 N GLU A 66 9.609 -10.137 -0.391 1.00 0.00 N ATOM 953 CA GLU A 66 10.790 -10.665 -1.047 1.00 0.00 C ATOM 954 C GLU A 66 11.192 -11.980 -0.394 1.00 0.00 C ATOM 955 O GLU A 66 11.934 -11.944 0.613 1.00 0.00 O ATOM 956 CB GLU A 66 11.944 -9.659 -0.978 1.00 0.00 C ATOM 957 CG GLU A 66 13.173 -10.086 -1.765 1.00 0.00 C ATOM 958 CD GLU A 66 12.946 -10.086 -3.265 1.00 0.00 C ATOM 959 OE1 GLU A 66 12.176 -10.934 -3.759 1.00 0.00 O ATOM 960 OE2 GLU A 66 13.541 -9.232 -3.958 1.00 0.00 O ATOM 961 OXT GLU A 66 10.746 -13.040 -0.872 1.00 0.00 O ATOM 0 H GLU A 66 9.803 -9.524 0.401 1.00 0.00 H new ATOM 0 HA GLU A 66 10.560 -10.843 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.598 -8.696 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.224 -9.511 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.000 -9.416 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.471 -11.085 -1.448 1.00 0.00 H new TER 966 GLU A 66