USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 18 GLN : amide:sc= -0.286 K(o=0.39,f=2.2) USER MOD Set 1.2: A 50 TYR OH : rot -146:sc= 0.671 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -139:sc= 0.372 (180deg=0) USER MOD Set 2.2: A 35 SER OG : rot -64:sc= 0.295 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.037 (180deg=-0.213) USER MOD Single : A 2 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.1) USER MOD Single : A 3 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=-0.016) USER MOD Single : A 5 TYR OH : rot 180:sc= -5.49! USER MOD Single : A 11 THR OG1 : rot -102:sc= -0.954 USER MOD Single : A 23 ASN : amide:sc= -2.8 K(o=-2.8,f=-11!) USER MOD Single : A 26 TYR OH : rot -170:sc= 0.439 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 110:sc= -0.303 USER MOD Single : A 38 GLN : amide:sc= -0.478! C(o=-0.48!,f=-2.2!) USER MOD Single : A 41 TYR OH : rot -168:sc= -0.0866 USER MOD Single : A 47 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-3.7!) USER MOD Single : A 49 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.13) USER MOD Single : A 54 THR OG1 : rot -50:sc= 0.945 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.255 USER MOD Single : A 66 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.048) USER MOD Single : A 69 HIS : no HE2:sc= -0.0888 K(o=-0.089,f=-2.7!) USER MOD Single : A 70 HIS : no HD1:sc= -1.97 X(o=-2,f=-2.1) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0219 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.461 -8.948 -13.180 1.00 0.00 N ATOM 2 CA MET A 1 -6.473 -8.629 -12.139 1.00 0.00 C ATOM 3 C MET A 1 -5.945 -7.588 -11.157 1.00 0.00 C ATOM 4 O MET A 1 -6.323 -7.577 -9.985 1.00 0.00 O ATOM 5 CB MET A 1 -6.833 -9.917 -11.397 1.00 0.00 C ATOM 6 CG MET A 1 -8.305 -10.018 -11.032 1.00 0.00 C ATOM 7 SD MET A 1 -9.367 -10.225 -12.473 1.00 0.00 S ATOM 8 CE MET A 1 -10.367 -8.742 -12.372 1.00 0.00 C ATOM 0 H1 MET A 1 -5.760 -9.793 -13.707 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.372 -8.145 -13.835 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.542 -9.129 -12.727 1.00 0.00 H new ATOM 0 HA MET A 1 -7.358 -8.210 -12.618 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.562 -10.771 -12.017 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.236 -9.981 -10.487 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.450 -10.860 -10.355 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.604 -9.120 -10.492 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.076 -8.725 -13.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.911 -8.733 -11.427 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.723 -7.864 -12.428 1.00 0.00 H new ATOM 20 N GLN A 2 -5.071 -6.712 -11.644 1.00 0.00 N ATOM 21 CA GLN A 2 -4.492 -5.667 -10.808 1.00 0.00 C ATOM 22 C GLN A 2 -3.964 -4.518 -11.663 1.00 0.00 C ATOM 23 O GLN A 2 -3.726 -4.679 -12.859 1.00 0.00 O ATOM 24 CB GLN A 2 -3.364 -6.238 -9.949 1.00 0.00 C ATOM 25 CG GLN A 2 -2.336 -7.030 -10.742 1.00 0.00 C ATOM 26 CD GLN A 2 -1.198 -7.537 -9.879 1.00 0.00 C ATOM 27 OE1 GLN A 2 -0.026 -7.363 -10.211 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.538 -8.166 -8.760 1.00 0.00 N ATOM 0 H GLN A 2 -4.749 -6.705 -12.612 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.276 -5.282 -10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.861 -5.420 -9.434 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.793 -6.882 -9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.827 -7.876 -11.223 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.933 -6.402 -11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.522 -8.289 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.815 -8.527 -8.138 1.00 0.00 H new ATOM 37 N HIS A 3 -3.786 -3.357 -11.038 1.00 0.00 N ATOM 38 CA HIS A 3 -3.286 -2.180 -11.741 1.00 0.00 C ATOM 39 C HIS A 3 -2.144 -1.526 -10.966 1.00 0.00 C ATOM 40 O HIS A 3 -2.380 -0.759 -10.035 1.00 0.00 O ATOM 41 CB HIS A 3 -4.417 -1.171 -11.953 1.00 0.00 C ATOM 42 CG HIS A 3 -5.678 -1.785 -12.475 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.778 -2.038 -11.680 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.014 -2.201 -13.720 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.733 -2.580 -12.414 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.294 -2.689 -13.654 1.00 0.00 N ATOM 0 H HIS A 3 -3.980 -3.207 -10.048 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.905 -2.500 -12.711 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.630 -0.673 -11.007 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.081 -0.403 -12.650 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.390 -2.157 -14.600 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.707 -2.883 -12.060 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.822 -3.074 -14.437 1.00 0.00 H new ATOM 55 N PRO A 4 -0.885 -1.825 -11.339 1.00 0.00 N ATOM 56 CA PRO A 4 0.299 -1.261 -10.672 1.00 0.00 C ATOM 57 C PRO A 4 0.248 0.259 -10.572 1.00 0.00 C ATOM 58 O PRO A 4 -0.544 0.910 -11.254 1.00 0.00 O ATOM 59 CB PRO A 4 1.450 -1.687 -11.586 1.00 0.00 C ATOM 60 CG PRO A 4 0.964 -2.927 -12.250 1.00 0.00 C ATOM 61 CD PRO A 4 -0.515 -2.737 -12.440 1.00 0.00 C ATOM 0 HA PRO A 4 0.389 -1.611 -9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.684 -0.912 -12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.360 -1.873 -11.016 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.465 -3.081 -13.206 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.170 -3.805 -11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.743 -2.305 -13.414 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.053 -3.683 -12.377 1.00 0.00 H new ATOM 69 N TYR A 5 1.109 0.823 -9.727 1.00 0.00 N ATOM 70 CA TYR A 5 1.169 2.272 -9.557 1.00 0.00 C ATOM 71 C TYR A 5 2.590 2.727 -9.277 1.00 0.00 C ATOM 72 O TYR A 5 3.039 3.734 -9.823 1.00 0.00 O ATOM 73 CB TYR A 5 0.241 2.743 -8.433 1.00 0.00 C ATOM 74 CG TYR A 5 -1.184 2.938 -8.896 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.005 1.849 -9.136 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.699 4.211 -9.112 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.303 2.018 -9.578 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.994 4.389 -9.556 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.793 3.290 -9.788 1.00 0.00 C ATOM 80 OH TYR A 5 -5.083 3.463 -10.232 1.00 0.00 O ATOM 0 H TYR A 5 1.771 0.301 -9.153 1.00 0.00 H new ATOM 0 HA TYR A 5 0.832 2.721 -10.491 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.259 2.014 -7.623 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.618 3.681 -8.026 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.624 0.851 -8.975 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.076 5.074 -8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.931 1.158 -9.758 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.379 5.384 -9.721 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.271 4.420 -10.327 1.00 0.00 H new ATOM 90 N VAL A 6 3.305 1.981 -8.439 1.00 0.00 N ATOM 91 CA VAL A 6 4.677 2.330 -8.119 1.00 0.00 C ATOM 92 C VAL A 6 4.761 3.707 -7.468 1.00 0.00 C ATOM 93 O VAL A 6 4.207 4.683 -7.976 1.00 0.00 O ATOM 94 CB VAL A 6 5.545 2.319 -9.384 1.00 0.00 C ATOM 95 CG1 VAL A 6 7.018 2.463 -9.035 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.294 1.050 -10.179 1.00 0.00 C ATOM 0 H VAL A 6 2.958 1.141 -7.976 1.00 0.00 H new ATOM 0 HA VAL A 6 5.046 1.584 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 6 5.268 3.173 -10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.611 2.452 -9.949 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.177 3.405 -8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.323 1.635 -8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.915 1.053 -11.075 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.543 0.183 -9.568 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.244 1.002 -10.466 1.00 0.00 H new ATOM 106 N GLY A 7 5.451 3.781 -6.340 1.00 0.00 N ATOM 107 CA GLY A 7 5.588 5.039 -5.635 1.00 0.00 C ATOM 108 C GLY A 7 5.912 4.848 -4.171 1.00 0.00 C ATOM 109 O GLY A 7 5.455 3.888 -3.553 1.00 0.00 O ATOM 0 H GLY A 7 5.920 2.990 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.374 5.631 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.662 5.607 -5.728 1.00 0.00 H new ATOM 113 N ILE A 8 6.692 5.762 -3.603 1.00 0.00 N ATOM 114 CA ILE A 8 7.050 5.673 -2.196 1.00 0.00 C ATOM 115 C ILE A 8 6.097 6.507 -1.361 1.00 0.00 C ATOM 116 O ILE A 8 6.252 7.717 -1.228 1.00 0.00 O ATOM 117 CB ILE A 8 8.508 6.104 -1.946 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.448 5.123 -2.662 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.802 6.173 -0.448 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.536 4.531 -1.788 1.00 0.00 C ATOM 0 H ILE A 8 7.085 6.566 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 8 6.966 4.628 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 8 8.670 7.104 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.853 4.310 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.916 5.637 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.837 6.479 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.136 6.897 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.644 5.192 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.149 3.851 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.161 5.332 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.082 3.984 -0.962 1.00 0.00 H new ATOM 132 N TRP A 9 5.103 5.836 -0.812 1.00 0.00 N ATOM 133 CA TRP A 9 4.091 6.484 0.004 1.00 0.00 C ATOM 134 C TRP A 9 4.517 6.509 1.467 1.00 0.00 C ATOM 135 O TRP A 9 4.531 5.479 2.142 1.00 0.00 O ATOM 136 CB TRP A 9 2.748 5.767 -0.176 1.00 0.00 C ATOM 137 CG TRP A 9 2.383 5.573 -1.625 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.954 4.697 -2.509 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.375 6.278 -2.361 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.362 4.811 -3.746 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.389 5.774 -3.680 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.461 7.283 -2.035 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.523 6.244 -4.665 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.397 7.748 -3.016 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.359 7.228 -4.315 1.00 0.00 C ATOM 0 H TRP A 9 4.973 4.830 -0.918 1.00 0.00 H new ATOM 0 HA TRP A 9 3.976 7.518 -0.320 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.790 4.796 0.317 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.965 6.342 0.318 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.755 4.014 -2.269 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.607 4.269 -4.575 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.425 7.690 -1.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.548 5.845 -5.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.108 8.525 -2.775 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.042 7.613 -5.058 1.00 0.00 H new ATOM 156 N VAL A 10 4.887 7.695 1.939 1.00 0.00 N ATOM 157 CA VAL A 10 5.344 7.872 3.313 1.00 0.00 C ATOM 158 C VAL A 10 4.366 8.720 4.120 1.00 0.00 C ATOM 159 O VAL A 10 3.605 9.514 3.566 1.00 0.00 O ATOM 160 CB VAL A 10 6.741 8.531 3.342 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.158 8.893 4.762 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.775 7.618 2.700 1.00 0.00 C ATOM 0 H VAL A 10 4.879 8.552 1.387 1.00 0.00 H new ATOM 0 HA VAL A 10 5.402 6.882 3.766 1.00 0.00 H new ATOM 0 HB VAL A 10 6.684 9.455 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.145 9.354 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.438 9.593 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.190 7.991 5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.753 8.099 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.817 6.676 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.497 7.425 1.664 1.00 0.00 H new ATOM 172 N THR A 11 4.397 8.540 5.435 1.00 0.00 N ATOM 173 CA THR A 11 3.522 9.279 6.336 1.00 0.00 C ATOM 174 C THR A 11 3.900 10.758 6.383 1.00 0.00 C ATOM 175 O THR A 11 4.914 11.167 5.818 1.00 0.00 O ATOM 176 CB THR A 11 3.588 8.673 7.738 1.00 0.00 C ATOM 177 OG1 THR A 11 4.846 8.057 7.959 1.00 0.00 O ATOM 178 CG2 THR A 11 2.516 7.636 7.982 1.00 0.00 C ATOM 0 H THR A 11 5.023 7.884 5.903 1.00 0.00 H new ATOM 0 HA THR A 11 2.502 9.205 5.959 1.00 0.00 H new ATOM 0 HB THR A 11 3.433 9.504 8.426 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.755 7.086 7.867 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.614 7.242 8.994 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.534 8.094 7.865 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.626 6.823 7.264 1.00 0.00 H new ATOM 186 N ALA A 12 3.075 11.554 7.058 1.00 0.00 N ATOM 187 CA ALA A 12 3.320 12.987 7.176 1.00 0.00 C ATOM 188 C ALA A 12 4.449 13.283 8.160 1.00 0.00 C ATOM 189 O ALA A 12 5.037 14.364 8.133 1.00 0.00 O ATOM 190 CB ALA A 12 2.046 13.710 7.600 1.00 0.00 C ATOM 0 H ALA A 12 2.231 11.230 7.531 1.00 0.00 H new ATOM 0 HA ALA A 12 3.627 13.353 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.245 14.778 7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.268 13.543 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.714 13.326 8.564 1.00 0.00 H new ATOM 196 N ASP A 13 4.750 12.321 9.026 1.00 0.00 N ATOM 197 CA ASP A 13 5.809 12.489 10.013 1.00 0.00 C ATOM 198 C ASP A 13 7.085 11.782 9.566 1.00 0.00 C ATOM 199 O ASP A 13 8.187 12.159 9.968 1.00 0.00 O ATOM 200 CB ASP A 13 5.359 11.951 11.373 1.00 0.00 C ATOM 201 CG ASP A 13 5.148 13.055 12.391 1.00 0.00 C ATOM 202 OD1 ASP A 13 5.912 14.043 12.361 1.00 0.00 O ATOM 203 OD2 ASP A 13 4.221 12.933 13.218 1.00 0.00 O ATOM 0 H ASP A 13 4.276 11.419 9.064 1.00 0.00 H new ATOM 0 HA ASP A 13 6.020 13.554 10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.432 11.392 11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.106 11.252 11.749 1.00 0.00 H new ATOM 208 N GLY A 14 6.930 10.754 8.740 1.00 0.00 N ATOM 209 CA GLY A 14 8.078 10.011 8.259 1.00 0.00 C ATOM 210 C GLY A 14 8.460 8.881 9.194 1.00 0.00 C ATOM 211 O GLY A 14 9.606 8.433 9.201 1.00 0.00 O ATOM 0 H GLY A 14 6.029 10.422 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.858 9.605 7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.925 10.688 8.144 1.00 0.00 H new ATOM 215 N ARG A 15 7.493 8.411 9.979 1.00 0.00 N ATOM 216 CA ARG A 15 7.742 7.316 10.914 1.00 0.00 C ATOM 217 C ARG A 15 7.745 5.981 10.176 1.00 0.00 C ATOM 218 O ARG A 15 8.388 5.024 10.609 1.00 0.00 O ATOM 219 CB ARG A 15 6.719 7.286 12.065 1.00 0.00 C ATOM 220 CG ARG A 15 5.586 8.298 11.945 1.00 0.00 C ATOM 221 CD ARG A 15 4.599 7.901 10.862 1.00 0.00 C ATOM 222 NE ARG A 15 3.235 7.784 11.376 1.00 0.00 N ATOM 223 CZ ARG A 15 2.765 6.710 12.007 1.00 0.00 C ATOM 224 NH1 ARG A 15 3.542 5.654 12.208 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.511 6.693 12.437 1.00 0.00 N ATOM 0 H ARG A 15 6.537 8.768 9.987 1.00 0.00 H new ATOM 0 HA ARG A 15 8.723 7.487 11.357 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.289 6.286 12.123 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.245 7.461 13.003 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.067 8.380 12.900 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.998 9.282 11.721 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.622 8.641 10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.904 6.950 10.425 1.00 0.00 H new ATOM 0 HE ARG A 15 2.604 8.575 11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.507 5.661 11.878 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.174 4.835 12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.908 7.502 12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.149 5.871 12.921 1.00 0.00 H new ATOM 239 N ILE A 16 7.037 5.929 9.052 1.00 0.00 N ATOM 240 CA ILE A 16 6.975 4.716 8.245 1.00 0.00 C ATOM 241 C ILE A 16 6.991 5.067 6.761 1.00 0.00 C ATOM 242 O ILE A 16 6.632 6.177 6.377 1.00 0.00 O ATOM 243 CB ILE A 16 5.732 3.846 8.582 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.574 4.093 7.605 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.274 4.104 10.007 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.496 3.060 6.502 1.00 0.00 C ATOM 0 H ILE A 16 6.499 6.712 8.680 1.00 0.00 H new ATOM 0 HA ILE A 16 7.857 4.123 8.485 1.00 0.00 H new ATOM 0 HB ILE A 16 6.032 2.803 8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.635 4.097 8.158 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.686 5.082 7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.403 3.487 10.227 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.079 3.855 10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.011 5.156 10.120 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.657 3.291 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.421 3.072 5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.353 2.072 6.939 1.00 0.00 H new ATOM 258 N ARG A 17 7.412 4.123 5.936 1.00 0.00 N ATOM 259 CA ARG A 17 7.478 4.348 4.500 1.00 0.00 C ATOM 260 C ARG A 17 7.001 3.118 3.732 1.00 0.00 C ATOM 261 O ARG A 17 7.434 2.001 4.005 1.00 0.00 O ATOM 262 CB ARG A 17 8.915 4.726 4.106 1.00 0.00 C ATOM 263 CG ARG A 17 9.465 3.990 2.893 1.00 0.00 C ATOM 264 CD ARG A 17 10.959 4.217 2.744 1.00 0.00 C ATOM 265 NE ARG A 17 11.733 3.363 3.642 1.00 0.00 N ATOM 266 CZ ARG A 17 13.062 3.280 3.623 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.767 3.997 2.755 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.688 2.480 4.475 1.00 0.00 N ATOM 0 H ARG A 17 7.713 3.195 6.234 1.00 0.00 H new ATOM 0 HA ARG A 17 6.813 5.171 4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.952 5.797 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.571 4.535 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.264 2.923 2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.951 4.330 1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.255 4.022 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.189 5.262 2.949 1.00 0.00 H new ATOM 0 HE ARG A 17 11.226 2.798 4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.291 4.615 2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.785 3.929 2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.152 1.928 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.706 2.416 4.461 1.00 0.00 H new ATOM 282 N GLN A 18 6.107 3.335 2.772 1.00 0.00 N ATOM 283 CA GLN A 18 5.574 2.245 1.963 1.00 0.00 C ATOM 284 C GLN A 18 5.937 2.433 0.495 1.00 0.00 C ATOM 285 O GLN A 18 5.467 3.364 -0.156 1.00 0.00 O ATOM 286 CB GLN A 18 4.056 2.156 2.127 1.00 0.00 C ATOM 287 CG GLN A 18 3.462 0.865 1.588 1.00 0.00 C ATOM 288 CD GLN A 18 2.045 1.043 1.076 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.081 0.685 1.749 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.917 1.600 -0.123 1.00 0.00 N ATOM 0 H GLN A 18 5.737 4.256 2.536 1.00 0.00 H new ATOM 0 HA GLN A 18 6.020 1.313 2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.807 2.248 3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.593 3.000 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.091 0.489 0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.468 0.111 2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.746 1.882 -0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.989 1.746 -0.521 1.00 0.00 H new ATOM 299 N GLU A 19 6.785 1.545 -0.019 1.00 0.00 N ATOM 300 CA GLU A 19 7.212 1.624 -1.410 1.00 0.00 C ATOM 301 C GLU A 19 6.345 0.765 -2.307 1.00 0.00 C ATOM 302 O GLU A 19 6.192 -0.435 -2.079 1.00 0.00 O ATOM 303 CB GLU A 19 8.670 1.181 -1.561 1.00 0.00 C ATOM 304 CG GLU A 19 9.168 1.194 -2.998 1.00 0.00 C ATOM 305 CD GLU A 19 10.639 0.847 -3.108 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.033 -0.230 -2.613 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.397 1.652 -3.689 1.00 0.00 O ATOM 0 H GLU A 19 7.187 0.768 0.505 1.00 0.00 H new ATOM 0 HA GLU A 19 7.113 2.667 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.303 1.835 -0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.778 0.174 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.586 0.485 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.998 2.181 -3.429 1.00 0.00 H new ATOM 314 N LEU A 20 5.823 1.373 -3.356 1.00 0.00 N ATOM 315 CA LEU A 20 5.020 0.647 -4.318 1.00 0.00 C ATOM 316 C LEU A 20 5.948 0.168 -5.424 1.00 0.00 C ATOM 317 O LEU A 20 6.573 0.965 -6.123 1.00 0.00 O ATOM 318 CB LEU A 20 3.870 1.511 -4.849 1.00 0.00 C ATOM 319 CG LEU A 20 2.717 1.729 -3.860 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.448 2.127 -4.592 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.469 0.489 -3.015 1.00 0.00 C ATOM 0 H LEU A 20 5.941 2.365 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 20 4.544 -0.214 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.269 2.483 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.473 1.047 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 20 3.006 2.541 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.644 2.276 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.620 3.053 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.168 1.338 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.646 0.677 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.214 -0.349 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.369 0.248 -2.449 1.00 0.00 H new ATOM 333 N LEU A 21 6.091 -1.142 -5.507 1.00 0.00 N ATOM 334 CA LEU A 21 7.006 -1.764 -6.449 1.00 0.00 C ATOM 335 C LEU A 21 6.605 -1.595 -7.905 1.00 0.00 C ATOM 336 O LEU A 21 5.437 -1.385 -8.228 1.00 0.00 O ATOM 337 CB LEU A 21 7.150 -3.244 -6.105 1.00 0.00 C ATOM 338 CG LEU A 21 8.420 -3.623 -5.318 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.142 -2.386 -4.785 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.068 -4.554 -4.173 1.00 0.00 C ATOM 0 H LEU A 21 5.578 -1.804 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 21 7.962 -1.249 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.280 -3.550 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.133 -3.818 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 21 9.095 -4.134 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.032 -2.693 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.432 -1.747 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.477 -1.835 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.973 -4.815 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.368 -4.057 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.610 -5.460 -4.569 1.00 0.00 H new ATOM 352 N PRO A 22 7.606 -1.702 -8.804 1.00 0.00 N ATOM 353 CA PRO A 22 7.410 -1.570 -10.252 1.00 0.00 C ATOM 354 C PRO A 22 6.519 -2.664 -10.821 1.00 0.00 C ATOM 355 O PRO A 22 5.998 -2.536 -11.929 1.00 0.00 O ATOM 356 CB PRO A 22 8.830 -1.686 -10.829 1.00 0.00 C ATOM 357 CG PRO A 22 9.740 -1.439 -9.675 1.00 0.00 C ATOM 358 CD PRO A 22 9.018 -1.965 -8.473 1.00 0.00 C ATOM 0 HA PRO A 22 6.911 -0.634 -10.503 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.000 -2.672 -11.261 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.994 -0.957 -11.623 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.694 -1.947 -9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.957 -0.376 -9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.207 -3.027 -8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.323 -1.452 -7.561 1.00 0.00 H new ATOM 366 N ASN A 23 6.342 -3.741 -10.063 1.00 0.00 N ATOM 367 CA ASN A 23 5.509 -4.845 -10.510 1.00 0.00 C ATOM 368 C ASN A 23 4.100 -4.730 -9.934 1.00 0.00 C ATOM 369 O ASN A 23 3.388 -5.726 -9.806 1.00 0.00 O ATOM 370 CB ASN A 23 6.137 -6.179 -10.109 1.00 0.00 C ATOM 371 CG ASN A 23 6.226 -6.362 -8.608 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.870 -5.470 -7.838 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.705 -7.527 -8.185 1.00 0.00 N ATOM 0 H ASN A 23 6.762 -3.870 -9.143 1.00 0.00 H new ATOM 0 HA ASN A 23 5.439 -4.801 -11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.551 -6.993 -10.535 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.137 -6.248 -10.538 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.790 -7.711 -7.185 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.988 -8.237 -8.860 1.00 0.00 H new ATOM 380 N GLY A 24 3.705 -3.508 -9.588 1.00 0.00 N ATOM 381 CA GLY A 24 2.386 -3.286 -9.029 1.00 0.00 C ATOM 382 C GLY A 24 2.238 -3.916 -7.666 1.00 0.00 C ATOM 383 O GLY A 24 1.316 -4.697 -7.429 1.00 0.00 O ATOM 0 H GLY A 24 4.276 -2.668 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.199 -2.215 -8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.633 -3.696 -9.702 1.00 0.00 H new ATOM 387 N ARG A 25 3.157 -3.586 -6.767 1.00 0.00 N ATOM 388 CA ARG A 25 3.131 -4.136 -5.416 1.00 0.00 C ATOM 389 C ARG A 25 3.546 -3.102 -4.389 1.00 0.00 C ATOM 390 O ARG A 25 3.820 -1.955 -4.731 1.00 0.00 O ATOM 391 CB ARG A 25 4.033 -5.361 -5.333 1.00 0.00 C ATOM 392 CG ARG A 25 3.684 -6.402 -6.372 1.00 0.00 C ATOM 393 CD ARG A 25 2.327 -7.028 -6.085 1.00 0.00 C ATOM 394 NE ARG A 25 1.837 -7.816 -7.214 1.00 0.00 N ATOM 395 CZ ARG A 25 2.295 -9.027 -7.525 1.00 0.00 C ATOM 396 NH1 ARG A 25 3.252 -9.591 -6.798 1.00 0.00 N ATOM 397 NH2 ARG A 25 1.795 -9.677 -8.568 1.00 0.00 N ATOM 0 H ARG A 25 3.928 -2.942 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 25 2.106 -4.432 -5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.071 -5.055 -5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.953 -5.802 -4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.675 -5.944 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.450 -7.177 -6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.401 -7.665 -5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.608 -6.243 -5.852 1.00 0.00 H new ATOM 0 HE ARG A 25 1.102 -7.415 -7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.641 -9.096 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.598 -10.519 -7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.060 -9.249 -9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.146 -10.605 -8.807 1.00 0.00 H new ATOM 411 N TYR A 26 3.561 -3.502 -3.122 1.00 0.00 N ATOM 412 CA TYR A 26 3.913 -2.585 -2.049 1.00 0.00 C ATOM 413 C TYR A 26 4.857 -3.217 -1.029 1.00 0.00 C ATOM 414 O TYR A 26 4.806 -4.418 -0.771 1.00 0.00 O ATOM 415 CB TYR A 26 2.634 -2.081 -1.376 1.00 0.00 C ATOM 416 CG TYR A 26 2.217 -2.846 -0.145 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.938 -2.747 1.033 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.097 -3.661 -0.165 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.556 -3.441 2.164 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.704 -4.361 0.957 1.00 0.00 C ATOM 421 CZ TYR A 26 1.438 -4.248 2.120 1.00 0.00 C ATOM 422 OH TYR A 26 1.051 -4.943 3.244 1.00 0.00 O ATOM 0 H TYR A 26 3.335 -4.448 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 26 4.453 -1.744 -2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.772 -1.034 -1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.821 -2.118 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.814 -2.116 1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.522 -3.750 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.128 -3.353 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.171 -4.993 0.925 1.00 0.00 H new ATOM 0 HH TYR A 26 0.347 -5.582 3.007 1.00 0.00 H new ATOM 432 N ASP A 27 5.704 -2.374 -0.448 1.00 0.00 N ATOM 433 CA ASP A 27 6.665 -2.793 0.563 1.00 0.00 C ATOM 434 C ASP A 27 6.860 -1.670 1.574 1.00 0.00 C ATOM 435 O ASP A 27 7.427 -0.628 1.247 1.00 0.00 O ATOM 436 CB ASP A 27 8.004 -3.147 -0.087 1.00 0.00 C ATOM 437 CG ASP A 27 8.301 -4.633 -0.033 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.770 -5.376 -0.885 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.064 -5.054 0.862 1.00 0.00 O ATOM 0 H ASP A 27 5.743 -1.378 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 27 6.282 -3.678 1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.998 -2.819 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.803 -2.602 0.415 1.00 0.00 H new ATOM 444 N GLU A 28 6.367 -1.864 2.792 1.00 0.00 N ATOM 445 CA GLU A 28 6.480 -0.835 3.815 1.00 0.00 C ATOM 446 C GLU A 28 7.578 -1.148 4.826 1.00 0.00 C ATOM 447 O GLU A 28 7.686 -2.266 5.330 1.00 0.00 O ATOM 448 CB GLU A 28 5.122 -0.634 4.509 1.00 0.00 C ATOM 449 CG GLU A 28 5.208 -0.273 5.988 1.00 0.00 C ATOM 450 CD GLU A 28 3.859 -0.335 6.679 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.032 0.573 6.450 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.629 -1.292 7.447 1.00 0.00 O ATOM 0 H GLU A 28 5.891 -2.715 3.092 1.00 0.00 H new ATOM 0 HA GLU A 28 6.766 0.096 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.576 0.153 3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.538 -1.549 4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.899 -0.953 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.620 0.731 6.091 1.00 0.00 H new ATOM 459 N ALA A 29 8.379 -0.129 5.123 1.00 0.00 N ATOM 460 CA ALA A 29 9.466 -0.250 6.080 1.00 0.00 C ATOM 461 C ALA A 29 9.225 0.679 7.266 1.00 0.00 C ATOM 462 O ALA A 29 9.382 1.894 7.156 1.00 0.00 O ATOM 463 CB ALA A 29 10.793 0.078 5.412 1.00 0.00 C ATOM 0 H ALA A 29 8.291 0.798 4.707 1.00 0.00 H new ATOM 0 HA ALA A 29 9.504 -1.277 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.599 -0.016 6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.966 -0.613 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.766 1.099 5.031 1.00 0.00 H new ATOM 469 N ARG A 30 8.831 0.100 8.394 1.00 0.00 N ATOM 470 CA ARG A 30 8.555 0.882 9.594 1.00 0.00 C ATOM 471 C ARG A 30 9.689 0.764 10.608 1.00 0.00 C ATOM 472 O ARG A 30 9.974 -0.322 11.114 1.00 0.00 O ATOM 473 CB ARG A 30 7.239 0.428 10.227 1.00 0.00 C ATOM 474 CG ARG A 30 6.132 0.195 9.211 1.00 0.00 C ATOM 475 CD ARG A 30 4.766 0.553 9.771 1.00 0.00 C ATOM 476 NE ARG A 30 4.634 0.196 11.184 1.00 0.00 N ATOM 477 CZ ARG A 30 3.707 0.704 11.993 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.829 1.589 11.537 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.658 0.324 13.262 1.00 0.00 N ATOM 0 H ARG A 30 8.696 -0.905 8.503 1.00 0.00 H new ATOM 0 HA ARG A 30 8.472 1.928 9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.411 -0.493 10.785 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.911 1.179 10.945 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.326 0.791 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.136 -0.851 8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.596 1.623 9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.994 0.041 9.196 1.00 0.00 H new ATOM 0 HE ARG A 30 5.291 -0.482 11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.862 1.884 10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.121 1.974 12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.330 -0.356 13.617 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.948 0.712 13.884 1.00 0.00 H new ATOM 493 N GLY A 31 10.330 1.892 10.903 1.00 0.00 N ATOM 494 CA GLY A 31 11.424 1.902 11.858 1.00 0.00 C ATOM 495 C GLY A 31 12.514 0.904 11.514 1.00 0.00 C ATOM 496 O GLY A 31 12.656 0.502 10.359 1.00 0.00 O ATOM 0 H GLY A 31 10.110 2.801 10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.854 2.903 11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.035 1.680 12.852 1.00 0.00 H new ATOM 500 N ASN A 32 13.285 0.504 12.521 1.00 0.00 N ATOM 501 CA ASN A 32 14.367 -0.454 12.325 1.00 0.00 C ATOM 502 C ASN A 32 13.850 -1.747 11.701 1.00 0.00 C ATOM 503 O ASN A 32 14.607 -2.489 11.074 1.00 0.00 O ATOM 504 CB ASN A 32 15.055 -0.757 13.658 1.00 0.00 C ATOM 505 CG ASN A 32 16.183 0.209 13.959 1.00 0.00 C ATOM 506 OD1 ASN A 32 17.350 -0.077 13.692 1.00 0.00 O ATOM 507 ND2 ASN A 32 15.840 1.363 14.522 1.00 0.00 N ATOM 0 H ASN A 32 13.180 0.829 13.482 1.00 0.00 H new ATOM 0 HA ASN A 32 15.090 -0.009 11.642 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.320 -0.714 14.461 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.447 -1.774 13.639 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.557 2.052 14.750 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.860 1.559 14.726 1.00 0.00 H new ATOM 514 N ARG A 33 12.559 -2.010 11.873 1.00 0.00 N ATOM 515 CA ARG A 33 11.945 -3.213 11.322 1.00 0.00 C ATOM 516 C ARG A 33 11.432 -2.952 9.908 1.00 0.00 C ATOM 517 O ARG A 33 10.252 -2.660 9.709 1.00 0.00 O ATOM 518 CB ARG A 33 10.800 -3.691 12.224 1.00 0.00 C ATOM 519 CG ARG A 33 9.979 -4.827 11.630 1.00 0.00 C ATOM 520 CD ARG A 33 10.850 -6.021 11.277 1.00 0.00 C ATOM 521 NE ARG A 33 11.167 -6.834 12.447 1.00 0.00 N ATOM 522 CZ ARG A 33 11.804 -8.000 12.390 1.00 0.00 C ATOM 523 NH1 ARG A 33 12.197 -8.492 11.222 1.00 0.00 N ATOM 524 NH2 ARG A 33 12.053 -8.676 13.504 1.00 0.00 N ATOM 0 H ARG A 33 11.918 -1.407 12.389 1.00 0.00 H new ATOM 0 HA ARG A 33 12.702 -3.996 11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.214 -4.016 13.179 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.140 -2.849 12.433 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.212 -5.133 12.341 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.463 -4.475 10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.339 -6.636 10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.775 -5.672 10.818 1.00 0.00 H new ATOM 0 HE ARG A 33 10.883 -6.487 13.363 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.011 -7.975 10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.685 -9.387 11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.756 -8.302 14.405 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.542 -9.570 13.459 1.00 0.00 H new ATOM 538 N LYS A 34 12.326 -3.059 8.931 1.00 0.00 N ATOM 539 CA LYS A 34 11.958 -2.833 7.535 1.00 0.00 C ATOM 540 C LYS A 34 11.184 -4.018 6.978 1.00 0.00 C ATOM 541 O LYS A 34 11.064 -5.058 7.624 1.00 0.00 O ATOM 542 CB LYS A 34 13.196 -2.559 6.670 1.00 0.00 C ATOM 543 CG LYS A 34 14.061 -3.782 6.416 1.00 0.00 C ATOM 544 CD LYS A 34 13.660 -4.470 5.123 1.00 0.00 C ATOM 545 CE LYS A 34 14.697 -4.264 4.032 1.00 0.00 C ATOM 546 NZ LYS A 34 14.073 -4.165 2.683 1.00 0.00 N ATOM 0 H LYS A 34 13.306 -3.300 9.077 1.00 0.00 H new ATOM 0 HA LYS A 34 11.317 -1.952 7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.873 -2.151 5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.802 -1.794 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.109 -3.487 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.966 -4.479 7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.529 -5.537 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.698 -4.083 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.264 -3.356 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.406 -5.092 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.649 -4.691 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.115 -4.569 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.019 -3.166 2.398 1.00 0.00 H new ATOM 560 N SER A 35 10.661 -3.844 5.771 1.00 0.00 N ATOM 561 CA SER A 35 9.893 -4.885 5.100 1.00 0.00 C ATOM 562 C SER A 35 8.911 -5.554 6.058 1.00 0.00 C ATOM 563 O SER A 35 8.651 -6.752 5.957 1.00 0.00 O ATOM 564 CB SER A 35 10.835 -5.924 4.505 1.00 0.00 C ATOM 565 OG SER A 35 11.348 -5.497 3.252 1.00 0.00 O ATOM 0 H SER A 35 10.756 -2.983 5.232 1.00 0.00 H new ATOM 0 HA SER A 35 9.317 -4.419 4.300 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.659 -6.108 5.194 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.306 -6.869 4.381 1.00 0.00 H new ATOM 0 HG SER A 35 10.613 -5.410 2.610 1.00 0.00 H new ATOM 571 N ALA A 36 8.371 -4.769 6.986 1.00 0.00 N ATOM 572 CA ALA A 36 7.419 -5.281 7.965 1.00 0.00 C ATOM 573 C ALA A 36 6.284 -6.040 7.285 1.00 0.00 C ATOM 574 O ALA A 36 5.924 -7.143 7.697 1.00 0.00 O ATOM 575 CB ALA A 36 6.864 -4.136 8.797 1.00 0.00 C ATOM 0 H ALA A 36 8.577 -3.775 7.080 1.00 0.00 H new ATOM 0 HA ALA A 36 7.943 -5.978 8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.154 -4.527 9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.680 -3.636 9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.359 -3.423 8.145 1.00 0.00 H new ATOM 581 N TYR A 37 5.726 -5.437 6.242 1.00 0.00 N ATOM 582 CA TYR A 37 4.630 -6.046 5.501 1.00 0.00 C ATOM 583 C TYR A 37 4.666 -5.646 4.028 1.00 0.00 C ATOM 584 O TYR A 37 4.980 -4.507 3.686 1.00 0.00 O ATOM 585 CB TYR A 37 3.288 -5.646 6.113 1.00 0.00 C ATOM 586 CG TYR A 37 2.490 -6.823 6.614 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.883 -7.511 7.751 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.350 -7.250 5.945 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.163 -8.596 8.212 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.622 -8.334 6.399 1.00 0.00 C ATOM 591 CZ TYR A 37 1.032 -9.004 7.533 1.00 0.00 C ATOM 592 OH TYR A 37 0.312 -10.083 7.989 1.00 0.00 O ATOM 0 H TYR A 37 6.016 -4.525 5.890 1.00 0.00 H new ATOM 0 HA TYR A 37 4.747 -7.128 5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.464 -4.956 6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.702 -5.108 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.766 -7.194 8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.027 -6.727 5.057 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.483 -9.123 9.099 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.263 -8.654 5.869 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.547 -9.775 8.348 1.00 0.00 H new ATOM 602 N GLN A 38 4.329 -6.597 3.165 1.00 0.00 N ATOM 603 CA GLN A 38 4.302 -6.365 1.725 1.00 0.00 C ATOM 604 C GLN A 38 3.266 -7.271 1.075 1.00 0.00 C ATOM 605 O GLN A 38 2.999 -8.368 1.567 1.00 0.00 O ATOM 606 CB GLN A 38 5.679 -6.616 1.094 1.00 0.00 C ATOM 607 CG GLN A 38 6.802 -6.828 2.099 1.00 0.00 C ATOM 608 CD GLN A 38 6.681 -8.143 2.843 1.00 0.00 C ATOM 609 OE1 GLN A 38 6.104 -9.104 2.335 1.00 0.00 O ATOM 610 NE2 GLN A 38 7.227 -8.191 4.051 1.00 0.00 N ATOM 0 H GLN A 38 4.068 -7.544 3.440 1.00 0.00 H new ATOM 0 HA GLN A 38 4.035 -5.322 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.615 -7.492 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.933 -5.769 0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.760 -6.796 1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.801 -6.008 2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.696 -7.369 4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.178 -9.050 4.599 1.00 0.00 H new ATOM 619 N GLY A 39 2.683 -6.818 -0.028 1.00 0.00 N ATOM 620 CA GLY A 39 1.684 -7.626 -0.701 1.00 0.00 C ATOM 621 C GLY A 39 1.323 -7.100 -2.072 1.00 0.00 C ATOM 622 O GLY A 39 2.187 -6.948 -2.936 1.00 0.00 O ATOM 0 H GLY A 39 2.880 -5.917 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.054 -8.647 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.785 -7.669 -0.086 1.00 0.00 H new ATOM 626 N ARG A 40 0.041 -6.823 -2.271 1.00 0.00 N ATOM 627 CA ARG A 40 -0.444 -6.314 -3.540 1.00 0.00 C ATOM 628 C ARG A 40 -1.715 -5.516 -3.316 1.00 0.00 C ATOM 629 O ARG A 40 -2.333 -5.612 -2.254 1.00 0.00 O ATOM 630 CB ARG A 40 -0.699 -7.464 -4.516 1.00 0.00 C ATOM 631 CG ARG A 40 -1.874 -8.350 -4.126 1.00 0.00 C ATOM 632 CD ARG A 40 -1.505 -9.824 -4.187 1.00 0.00 C ATOM 633 NE ARG A 40 -0.979 -10.202 -5.496 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.739 -10.438 -6.563 1.00 0.00 C ATOM 635 NH1 ARG A 40 -3.060 -10.336 -6.480 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.178 -10.779 -7.715 1.00 0.00 N ATOM 0 H ARG A 40 -0.683 -6.944 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 40 0.314 -5.662 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.880 -7.052 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.200 -8.077 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.202 -8.098 -3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.714 -8.156 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.762 -10.044 -3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.384 -10.428 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 40 0.032 -10.291 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.497 -10.076 -5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.638 -10.518 -7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.164 -10.861 -7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.761 -10.960 -8.532 1.00 0.00 H new ATOM 650 N TYR A 41 -2.103 -4.723 -4.300 1.00 0.00 N ATOM 651 CA TYR A 41 -3.302 -3.913 -4.164 1.00 0.00 C ATOM 652 C TYR A 41 -4.129 -3.894 -5.436 1.00 0.00 C ATOM 653 O TYR A 41 -3.624 -4.111 -6.537 1.00 0.00 O ATOM 654 CB TYR A 41 -2.936 -2.481 -3.785 1.00 0.00 C ATOM 655 CG TYR A 41 -1.687 -1.974 -4.463 1.00 0.00 C ATOM 656 CD1 TYR A 41 -1.748 -1.340 -5.699 1.00 0.00 C ATOM 657 CD2 TYR A 41 -0.444 -2.133 -3.867 1.00 0.00 C ATOM 658 CE1 TYR A 41 -0.605 -0.877 -6.319 1.00 0.00 C ATOM 659 CE2 TYR A 41 0.702 -1.673 -4.483 1.00 0.00 C ATOM 660 CZ TYR A 41 0.618 -1.046 -5.707 1.00 0.00 C ATOM 661 OH TYR A 41 1.761 -0.589 -6.322 1.00 0.00 O ATOM 0 H TYR A 41 -1.614 -4.623 -5.189 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.902 -4.367 -3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.768 -1.824 -4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.801 -2.424 -2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.705 -1.208 -6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.372 -2.624 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.669 -0.385 -7.278 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.662 -1.804 -4.007 1.00 0.00 H new ATOM 0 HH TYR A 41 2.547 -0.951 -5.862 1.00 0.00 H new ATOM 671 N GLU A 42 -5.408 -3.596 -5.261 1.00 0.00 N ATOM 672 CA GLU A 42 -6.339 -3.499 -6.375 1.00 0.00 C ATOM 673 C GLU A 42 -6.932 -2.098 -6.399 1.00 0.00 C ATOM 674 O GLU A 42 -7.429 -1.617 -5.386 1.00 0.00 O ATOM 675 CB GLU A 42 -7.449 -4.546 -6.243 1.00 0.00 C ATOM 676 CG GLU A 42 -7.671 -5.357 -7.509 1.00 0.00 C ATOM 677 CD GLU A 42 -8.695 -6.460 -7.322 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.902 -6.147 -7.275 1.00 0.00 O ATOM 679 OE2 GLU A 42 -8.288 -7.637 -7.221 1.00 0.00 O ATOM 0 H GLU A 42 -5.827 -3.416 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.809 -3.689 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.203 -5.224 -5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.379 -4.046 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.999 -4.693 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.725 -5.795 -7.827 1.00 0.00 H new ATOM 686 N VAL A 43 -6.854 -1.435 -7.544 1.00 0.00 N ATOM 687 CA VAL A 43 -7.363 -0.075 -7.663 1.00 0.00 C ATOM 688 C VAL A 43 -8.686 -0.021 -8.418 1.00 0.00 C ATOM 689 O VAL A 43 -8.814 -0.559 -9.518 1.00 0.00 O ATOM 690 CB VAL A 43 -6.328 0.836 -8.356 1.00 0.00 C ATOM 691 CG1 VAL A 43 -6.898 2.226 -8.606 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.058 0.915 -7.519 1.00 0.00 C ATOM 0 H VAL A 43 -6.446 -1.813 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.542 0.286 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.083 0.401 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.146 2.845 -9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.777 2.149 -9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.180 2.680 -7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.334 1.560 -8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.294 1.325 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.636 -0.083 -7.404 1.00 0.00 H new ATOM 702 N ARG A 44 -9.666 0.642 -7.812 1.00 0.00 N ATOM 703 CA ARG A 44 -10.988 0.786 -8.409 1.00 0.00 C ATOM 704 C ARG A 44 -11.538 2.191 -8.174 1.00 0.00 C ATOM 705 O ARG A 44 -12.067 2.488 -7.103 1.00 0.00 O ATOM 706 CB ARG A 44 -11.949 -0.248 -7.822 1.00 0.00 C ATOM 707 CG ARG A 44 -12.989 -0.743 -8.814 1.00 0.00 C ATOM 708 CD ARG A 44 -14.261 0.088 -8.748 1.00 0.00 C ATOM 709 NE ARG A 44 -15.318 -0.587 -8.000 1.00 0.00 N ATOM 710 CZ ARG A 44 -16.393 0.029 -7.514 1.00 0.00 C ATOM 711 NH1 ARG A 44 -16.557 1.334 -7.694 1.00 0.00 N ATOM 712 NH2 ARG A 44 -17.308 -0.661 -6.846 1.00 0.00 N ATOM 0 H ARG A 44 -9.567 1.091 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.895 0.622 -9.483 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.375 -1.099 -7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.458 0.188 -6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.579 -0.703 -9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.224 -1.787 -8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.043 1.048 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.610 0.298 -9.759 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.227 -1.590 -7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.857 1.870 -8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.383 1.801 -7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.188 -1.664 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.132 -0.189 -6.474 1.00 0.00 H new ATOM 726 N GLY A 45 -11.406 3.054 -9.178 1.00 0.00 N ATOM 727 CA GLY A 45 -11.895 4.416 -9.050 1.00 0.00 C ATOM 728 C GLY A 45 -11.234 5.158 -7.903 1.00 0.00 C ATOM 729 O GLY A 45 -11.902 5.855 -7.139 1.00 0.00 O ATOM 0 H GLY A 45 -10.971 2.836 -10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.714 4.954 -9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.974 4.400 -8.896 1.00 0.00 H new ATOM 733 N ALA A 46 -9.916 4.995 -7.780 1.00 0.00 N ATOM 734 CA ALA A 46 -9.141 5.639 -6.720 1.00 0.00 C ATOM 735 C ALA A 46 -9.228 4.861 -5.407 1.00 0.00 C ATOM 736 O ALA A 46 -8.524 5.174 -4.448 1.00 0.00 O ATOM 737 CB ALA A 46 -9.585 7.082 -6.514 1.00 0.00 C ATOM 0 H ALA A 46 -9.359 4.416 -8.409 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.099 5.642 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.992 7.535 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.443 7.642 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.639 7.102 -6.236 1.00 0.00 H new ATOM 743 N HIS A 47 -10.076 3.836 -5.370 1.00 0.00 N ATOM 744 CA HIS A 47 -10.221 3.014 -4.176 1.00 0.00 C ATOM 745 C HIS A 47 -9.303 1.805 -4.280 1.00 0.00 C ATOM 746 O HIS A 47 -9.351 1.069 -5.266 1.00 0.00 O ATOM 747 CB HIS A 47 -11.674 2.564 -4.007 1.00 0.00 C ATOM 748 CG HIS A 47 -12.367 3.201 -2.844 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.408 4.566 -2.647 1.00 0.00 N ATOM 750 CD2 HIS A 47 -13.052 2.654 -1.811 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.085 4.830 -1.543 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.487 3.688 -1.019 1.00 0.00 N ATOM 0 H HIS A 47 -10.670 3.557 -6.151 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.944 3.603 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.225 2.795 -4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.698 1.481 -3.885 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.224 1.601 -1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.276 5.813 -1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -14.033 3.589 -0.163 1.00 0.00 H new ATOM 761 N ILE A 48 -8.451 1.608 -3.280 1.00 0.00 N ATOM 762 CA ILE A 48 -7.518 0.492 -3.310 1.00 0.00 C ATOM 763 C ILE A 48 -7.458 -0.237 -1.975 1.00 0.00 C ATOM 764 O ILE A 48 -7.609 0.362 -0.914 1.00 0.00 O ATOM 765 CB ILE A 48 -6.097 0.956 -3.732 1.00 0.00 C ATOM 766 CG1 ILE A 48 -4.993 0.081 -3.104 1.00 0.00 C ATOM 767 CG2 ILE A 48 -5.882 2.424 -3.384 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.504 0.567 -1.752 1.00 0.00 C ATOM 0 H ILE A 48 -8.388 2.198 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.892 -0.208 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.028 0.840 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.369 -0.936 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.146 0.037 -3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.880 2.727 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.620 3.033 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.992 2.563 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.729 -0.105 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.095 1.572 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.336 0.583 -1.048 1.00 0.00 H new ATOM 780 N ASN A 49 -7.215 -1.540 -2.052 1.00 0.00 N ATOM 781 CA ASN A 49 -7.109 -2.383 -0.870 1.00 0.00 C ATOM 782 C ASN A 49 -5.897 -3.304 -1.002 1.00 0.00 C ATOM 783 O ASN A 49 -5.564 -3.745 -2.099 1.00 0.00 O ATOM 784 CB ASN A 49 -8.385 -3.210 -0.674 1.00 0.00 C ATOM 785 CG ASN A 49 -9.544 -2.724 -1.526 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.503 -2.142 -1.017 1.00 0.00 O ATOM 787 ND2 ASN A 49 -9.463 -2.962 -2.831 1.00 0.00 N ATOM 0 H ASN A 49 -7.087 -2.039 -2.932 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.982 -1.744 0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.176 -4.252 -0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.675 -3.177 0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.213 -2.659 -3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.651 -3.447 -3.211 1.00 0.00 H new ATOM 794 N TYR A 50 -5.239 -3.584 0.118 1.00 0.00 N ATOM 795 CA TYR A 50 -4.061 -4.444 0.116 1.00 0.00 C ATOM 796 C TYR A 50 -4.426 -5.869 0.499 1.00 0.00 C ATOM 797 O TYR A 50 -4.864 -6.118 1.616 1.00 0.00 O ATOM 798 CB TYR A 50 -3.025 -3.912 1.110 1.00 0.00 C ATOM 799 CG TYR A 50 -2.452 -2.558 0.752 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.830 -2.343 -0.470 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.534 -1.493 1.644 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.304 -1.106 -0.794 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.011 -0.254 1.325 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.397 -0.067 0.106 1.00 0.00 C ATOM 805 OH TYR A 50 -0.876 1.165 -0.215 1.00 0.00 O ATOM 0 H TYR A 50 -5.501 -3.229 1.037 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.646 -4.444 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.485 -3.849 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.209 -4.630 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.756 -3.154 -1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.014 -1.637 2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.822 -0.955 -1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.083 0.563 2.028 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.525 1.593 0.594 1.00 0.00 H new ATOM 815 N TRP A 51 -4.224 -6.806 -0.418 1.00 0.00 N ATOM 816 CA TRP A 51 -4.514 -8.206 -0.141 1.00 0.00 C ATOM 817 C TRP A 51 -3.215 -8.993 -0.026 1.00 0.00 C ATOM 818 O TRP A 51 -2.685 -9.491 -1.020 1.00 0.00 O ATOM 819 CB TRP A 51 -5.422 -8.804 -1.221 1.00 0.00 C ATOM 820 CG TRP A 51 -5.570 -10.294 -1.126 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.058 -11.003 -0.067 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.227 -11.255 -2.131 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.039 -12.346 -0.349 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.534 -12.528 -1.609 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.693 -11.167 -3.419 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.323 -13.699 -2.333 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.483 -12.330 -4.134 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.799 -13.582 -3.591 1.00 0.00 C ATOM 0 H TRP A 51 -3.863 -6.624 -1.354 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.046 -8.269 0.808 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.408 -8.344 -1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.021 -8.549 -2.202 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.408 -10.570 0.858 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.350 -13.088 0.278 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.449 -10.206 -3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.565 -14.665 -1.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.068 -12.273 -5.129 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.625 -14.472 -4.177 1.00 0.00 H new ATOM 839 N ASP A 52 -2.699 -9.082 1.194 1.00 0.00 N ATOM 840 CA ASP A 52 -1.446 -9.790 1.447 1.00 0.00 C ATOM 841 C ASP A 52 -1.608 -11.295 1.293 1.00 0.00 C ATOM 842 O ASP A 52 -2.703 -11.837 1.446 1.00 0.00 O ATOM 843 CB ASP A 52 -0.924 -9.477 2.848 1.00 0.00 C ATOM 844 CG ASP A 52 -0.269 -8.113 2.928 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.951 -7.107 2.638 1.00 0.00 O ATOM 846 OD2 ASP A 52 0.928 -8.048 3.278 1.00 0.00 O ATOM 0 H ASP A 52 -3.127 -8.673 2.025 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.727 -9.444 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.749 -9.523 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.205 -10.241 3.144 1.00 0.00 H new ATOM 851 N ASP A 53 -0.498 -11.962 1.004 1.00 0.00 N ATOM 852 CA ASP A 53 -0.492 -13.409 0.840 1.00 0.00 C ATOM 853 C ASP A 53 -0.336 -14.114 2.186 1.00 0.00 C ATOM 854 O ASP A 53 -0.532 -15.325 2.284 1.00 0.00 O ATOM 855 CB ASP A 53 0.638 -13.829 -0.103 1.00 0.00 C ATOM 856 CG ASP A 53 0.492 -13.228 -1.486 1.00 0.00 C ATOM 857 OD1 ASP A 53 0.787 -12.025 -1.645 1.00 0.00 O ATOM 858 OD2 ASP A 53 0.084 -13.961 -2.411 1.00 0.00 O ATOM 0 H ASP A 53 0.413 -11.521 0.878 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.448 -13.704 0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.594 -13.525 0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.656 -14.916 -0.183 1.00 0.00 H new ATOM 863 N THR A 54 0.025 -13.356 3.224 1.00 0.00 N ATOM 864 CA THR A 54 0.211 -13.930 4.554 1.00 0.00 C ATOM 865 C THR A 54 -1.074 -13.891 5.376 1.00 0.00 C ATOM 866 O THR A 54 -1.039 -13.940 6.606 1.00 0.00 O ATOM 867 CB THR A 54 1.339 -13.213 5.298 1.00 0.00 C ATOM 868 OG1 THR A 54 1.611 -13.855 6.531 1.00 0.00 O ATOM 869 CG2 THR A 54 1.039 -11.761 5.594 1.00 0.00 C ATOM 0 H THR A 54 0.193 -12.351 3.168 1.00 0.00 H new ATOM 0 HA THR A 54 0.485 -14.976 4.419 1.00 0.00 H new ATOM 0 HB THR A 54 2.198 -13.257 4.628 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.774 -13.982 7.025 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.882 -11.316 6.123 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.873 -11.226 4.659 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.145 -11.693 6.214 1.00 0.00 H new ATOM 877 N GLY A 55 -2.207 -13.844 4.688 1.00 0.00 N ATOM 878 CA GLY A 55 -3.493 -13.845 5.363 1.00 0.00 C ATOM 879 C GLY A 55 -3.941 -12.490 5.890 1.00 0.00 C ATOM 880 O GLY A 55 -4.776 -12.433 6.792 1.00 0.00 O ATOM 0 H GLY A 55 -2.260 -13.805 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.249 -14.218 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.449 -14.546 6.196 1.00 0.00 H new ATOM 884 N PHE A 56 -3.420 -11.395 5.337 1.00 0.00 N ATOM 885 CA PHE A 56 -3.823 -10.073 5.783 1.00 0.00 C ATOM 886 C PHE A 56 -4.445 -9.307 4.631 1.00 0.00 C ATOM 887 O PHE A 56 -4.264 -9.655 3.464 1.00 0.00 O ATOM 888 CB PHE A 56 -2.619 -9.308 6.359 1.00 0.00 C ATOM 889 CG PHE A 56 -2.632 -7.816 6.113 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.576 -7.306 4.822 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.711 -6.928 7.174 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.599 -5.941 4.597 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.730 -5.563 6.955 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.675 -5.069 5.665 1.00 0.00 C ATOM 0 H PHE A 56 -2.727 -11.402 4.589 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.566 -10.178 6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.577 -9.483 7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.706 -9.723 5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.514 -7.984 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.758 -7.307 8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.558 -5.558 3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.788 -4.883 7.792 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.691 -4.003 5.493 1.00 0.00 H new ATOM 904 N THR A 57 -5.151 -8.244 4.968 1.00 0.00 N ATOM 905 CA THR A 57 -5.773 -7.398 3.963 1.00 0.00 C ATOM 906 C THR A 57 -6.067 -6.013 4.525 1.00 0.00 C ATOM 907 O THR A 57 -6.476 -5.870 5.678 1.00 0.00 O ATOM 908 CB THR A 57 -7.053 -8.026 3.394 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.208 -7.365 3.887 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.219 -9.505 3.691 1.00 0.00 C ATOM 0 H THR A 57 -5.309 -7.944 5.930 1.00 0.00 H new ATOM 0 HA THR A 57 -5.061 -7.301 3.143 1.00 0.00 H new ATOM 0 HB THR A 57 -6.947 -7.908 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.010 -7.782 3.509 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.150 -9.862 3.251 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.381 -10.058 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.245 -9.659 4.770 1.00 0.00 H new ATOM 918 N ALA A 58 -5.863 -4.996 3.697 1.00 0.00 N ATOM 919 CA ALA A 58 -6.105 -3.625 4.091 1.00 0.00 C ATOM 920 C ALA A 58 -7.018 -2.945 3.084 1.00 0.00 C ATOM 921 O ALA A 58 -7.421 -3.545 2.089 1.00 0.00 O ATOM 922 CB ALA A 58 -4.790 -2.869 4.221 1.00 0.00 C ATOM 0 H ALA A 58 -5.527 -5.103 2.740 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.598 -3.621 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.990 -1.839 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.167 -3.350 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.270 -2.876 3.263 1.00 0.00 H new ATOM 928 N ASP A 59 -7.338 -1.696 3.356 1.00 0.00 N ATOM 929 CA ASP A 59 -8.210 -0.920 2.481 1.00 0.00 C ATOM 930 C ASP A 59 -7.821 0.557 2.486 1.00 0.00 C ATOM 931 O ASP A 59 -7.335 1.079 3.490 1.00 0.00 O ATOM 932 CB ASP A 59 -9.668 -1.077 2.913 1.00 0.00 C ATOM 933 CG ASP A 59 -9.925 -0.523 4.302 1.00 0.00 C ATOM 934 OD1 ASP A 59 -9.008 -0.592 5.147 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.042 -0.021 4.543 1.00 0.00 O ATOM 0 H ASP A 59 -7.008 -1.190 4.178 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.094 -1.301 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.313 -0.567 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.939 -2.133 2.890 1.00 0.00 H new ATOM 940 N GLY A 60 -8.041 1.224 1.357 1.00 0.00 N ATOM 941 CA GLY A 60 -7.710 2.633 1.248 1.00 0.00 C ATOM 942 C GLY A 60 -8.335 3.279 0.026 1.00 0.00 C ATOM 943 O GLY A 60 -9.119 2.648 -0.684 1.00 0.00 O ATOM 0 H GLY A 60 -8.443 0.813 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.048 3.154 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.627 2.747 1.202 1.00 0.00 H new ATOM 947 N ASP A 61 -7.988 4.538 -0.222 1.00 0.00 N ATOM 948 CA ASP A 61 -8.522 5.264 -1.367 1.00 0.00 C ATOM 949 C ASP A 61 -7.760 6.565 -1.596 1.00 0.00 C ATOM 950 O ASP A 61 -7.576 7.359 -0.674 1.00 0.00 O ATOM 951 CB ASP A 61 -10.009 5.562 -1.158 1.00 0.00 C ATOM 952 CG ASP A 61 -10.282 6.231 0.174 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.160 5.552 1.215 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.618 7.434 0.177 1.00 0.00 O ATOM 0 H ASP A 61 -7.340 5.075 0.354 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.402 4.636 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.365 6.204 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.575 4.632 -1.217 1.00 0.00 H new ATOM 959 N PHE A 62 -7.320 6.778 -2.832 1.00 0.00 N ATOM 960 CA PHE A 62 -6.581 7.982 -3.184 1.00 0.00 C ATOM 961 C PHE A 62 -7.482 9.206 -3.124 1.00 0.00 C ATOM 962 O PHE A 62 -8.378 9.377 -3.950 1.00 0.00 O ATOM 963 CB PHE A 62 -5.980 7.865 -4.587 1.00 0.00 C ATOM 964 CG PHE A 62 -5.208 6.595 -4.837 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.701 5.838 -3.789 1.00 0.00 C ATOM 966 CD2 PHE A 62 -4.982 6.164 -6.134 1.00 0.00 C ATOM 967 CE1 PHE A 62 -3.989 4.680 -4.033 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.272 5.007 -6.383 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.774 4.264 -5.332 1.00 0.00 C ATOM 0 H PHE A 62 -7.463 6.130 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.774 8.095 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.784 7.935 -5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.319 8.715 -4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.865 6.159 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.367 6.741 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.601 4.100 -3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.106 4.683 -7.400 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.217 3.359 -5.525 1.00 0.00 H new ATOM 979 N VAL A 63 -7.228 10.055 -2.142 1.00 0.00 N ATOM 980 CA VAL A 63 -8.007 11.278 -1.967 1.00 0.00 C ATOM 981 C VAL A 63 -7.453 12.414 -2.821 1.00 0.00 C ATOM 982 O VAL A 63 -8.135 13.412 -3.056 1.00 0.00 O ATOM 983 CB VAL A 63 -8.037 11.734 -0.495 1.00 0.00 C ATOM 984 CG1 VAL A 63 -9.059 10.929 0.293 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.655 11.622 0.135 1.00 0.00 C ATOM 0 H VAL A 63 -6.489 9.923 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.022 11.043 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.334 12.782 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.066 11.265 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.048 11.072 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.796 9.872 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.701 11.949 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.320 10.585 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.953 12.251 -0.413 1.00 0.00 H new ATOM 995 N SER A 64 -6.216 12.260 -3.284 1.00 0.00 N ATOM 996 CA SER A 64 -5.579 13.280 -4.110 1.00 0.00 C ATOM 997 C SER A 64 -4.614 12.646 -5.106 1.00 0.00 C ATOM 998 O SER A 64 -4.611 11.430 -5.294 1.00 0.00 O ATOM 999 CB SER A 64 -4.838 14.288 -3.231 1.00 0.00 C ATOM 1000 OG SER A 64 -4.417 15.412 -3.985 1.00 0.00 O ATOM 0 H SER A 64 -5.636 11.441 -3.102 1.00 0.00 H new ATOM 0 HA SER A 64 -6.357 13.801 -4.668 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.488 14.614 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.973 13.809 -2.773 1.00 0.00 H new ATOM 0 HG SER A 64 -3.947 16.042 -3.399 1.00 0.00 H new ATOM 1006 N ALA A 65 -3.797 13.479 -5.740 1.00 0.00 N ATOM 1007 CA ALA A 65 -2.828 13.001 -6.717 1.00 0.00 C ATOM 1008 C ALA A 65 -1.552 12.514 -6.036 1.00 0.00 C ATOM 1009 O ALA A 65 -0.843 11.660 -6.566 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.505 14.098 -7.722 1.00 0.00 C ATOM 0 H ALA A 65 -3.787 14.489 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.271 12.157 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.780 13.726 -8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.416 14.395 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.088 14.959 -7.199 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.264 13.065 -4.860 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.068 12.686 -4.114 1.00 0.00 C ATOM 1018 C ASN A 66 -0.411 12.240 -2.691 1.00 0.00 C ATOM 1019 O ASN A 66 0.481 11.897 -1.914 1.00 0.00 O ATOM 1020 CB ASN A 66 0.920 13.854 -4.068 1.00 0.00 C ATOM 1021 CG ASN A 66 2.065 13.701 -5.060 1.00 0.00 C ATOM 1022 OD1 ASN A 66 3.176 14.165 -4.811 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.804 13.049 -6.193 1.00 0.00 N ATOM 0 H ASN A 66 -1.840 13.773 -4.405 1.00 0.00 H new ATOM 0 HA ASN A 66 0.391 11.843 -4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.388 14.782 -4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.328 13.939 -3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.539 12.921 -6.889 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.869 12.678 -6.364 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.698 12.239 -2.350 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.129 11.830 -1.018 1.00 0.00 C ATOM 1032 C GLU A 67 -2.803 10.462 -1.066 1.00 0.00 C ATOM 1033 O GLU A 67 -3.461 10.116 -2.047 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.083 12.865 -0.421 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.842 13.137 1.054 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.057 14.592 1.420 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -2.246 15.440 0.992 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.037 14.886 2.137 1.00 0.00 O ATOM 0 H GLU A 67 -2.456 12.515 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.246 11.760 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.985 13.799 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.109 12.521 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.510 12.514 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.823 12.848 1.311 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.627 9.687 -0.001 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.208 8.353 0.082 1.00 0.00 C ATOM 1047 C LEU A 68 -3.938 8.178 1.405 1.00 0.00 C ATOM 1048 O LEU A 68 -3.486 8.662 2.443 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.094 7.305 -0.092 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.344 5.892 0.474 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.631 5.900 1.967 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.469 5.211 -0.284 1.00 0.00 C ATOM 0 H LEU A 68 -2.085 9.961 0.818 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.939 8.217 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.889 7.208 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.189 7.697 0.372 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.423 5.325 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.799 4.879 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.780 6.327 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.520 6.500 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.634 4.215 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.382 5.799 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.201 5.129 -1.337 1.00 0.00 H new ATOM 1064 N HIS A 69 -5.058 7.470 1.366 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.838 7.218 2.570 1.00 0.00 C ATOM 1066 C HIS A 69 -6.094 5.728 2.748 1.00 0.00 C ATOM 1067 O HIS A 69 -6.892 5.136 2.022 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.170 7.963 2.521 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.113 9.338 3.109 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.943 10.061 3.230 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -8.093 10.127 3.612 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -6.207 11.231 3.783 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.503 11.296 4.024 1.00 0.00 N ATOM 0 H HIS A 69 -5.446 7.061 0.516 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.260 7.582 3.419 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.498 8.034 1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.922 7.381 3.054 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -5.019 9.742 2.938 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.143 9.882 3.677 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.485 12.004 4.001 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.424 5.126 3.722 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.599 3.703 3.989 1.00 0.00 C ATOM 1084 C HIS A 70 -5.519 3.421 5.487 1.00 0.00 C ATOM 1085 O HIS A 70 -4.653 3.952 6.184 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.561 2.876 3.214 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.381 2.440 4.026 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.237 1.161 4.522 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -2.284 3.122 4.426 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -2.103 1.076 5.192 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.505 2.252 5.150 1.00 0.00 N ATOM 0 H HIS A 70 -4.759 5.596 4.336 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.590 3.407 3.645 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.051 1.992 2.806 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.206 3.464 2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.062 4.158 4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.728 0.194 5.690 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.610 2.478 5.584 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.434 2.590 5.979 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.452 2.266 7.391 1.00 0.00 C ATOM 1102 C GLY A 71 -6.581 3.504 8.257 1.00 0.00 C ATOM 1103 O GLY A 71 -6.214 3.491 9.433 1.00 0.00 O ATOM 0 H GLY A 71 -7.161 2.137 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.283 1.591 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.537 1.734 7.653 1.00 0.00 H new ATOM 1107 N GLY A 72 -7.102 4.579 7.672 1.00 0.00 N ATOM 1108 CA GLY A 72 -7.267 5.818 8.403 1.00 0.00 C ATOM 1109 C GLY A 72 -5.972 6.601 8.518 1.00 0.00 C ATOM 1110 O GLY A 72 -5.808 7.406 9.434 1.00 0.00 O ATOM 0 H GLY A 72 -7.413 4.611 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.017 6.433 7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.646 5.600 9.401 1.00 0.00 H new ATOM 1114 N MET A 73 -5.047 6.361 7.591 1.00 0.00 N ATOM 1115 CA MET A 73 -3.766 7.045 7.601 1.00 0.00 C ATOM 1116 C MET A 73 -3.619 7.947 6.383 1.00 0.00 C ATOM 1117 O MET A 73 -4.356 7.815 5.406 1.00 0.00 O ATOM 1118 CB MET A 73 -2.636 6.019 7.621 1.00 0.00 C ATOM 1119 CG MET A 73 -2.039 5.800 8.999 1.00 0.00 C ATOM 1120 SD MET A 73 -2.877 4.496 9.919 1.00 0.00 S ATOM 1121 CE MET A 73 -1.659 4.135 11.180 1.00 0.00 C ATOM 0 H MET A 73 -5.165 5.697 6.826 1.00 0.00 H new ATOM 0 HA MET A 73 -3.715 7.666 8.495 1.00 0.00 H new ATOM 0 HB2 MET A 73 -3.012 5.069 7.242 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.849 6.344 6.941 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.984 5.547 8.898 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.091 6.730 9.565 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.033 3.345 11.831 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.732 3.809 10.708 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.469 5.032 11.770 1.00 0.00 H new ATOM 1131 N THR A 74 -2.647 8.849 6.442 1.00 0.00 N ATOM 1132 CA THR A 74 -2.385 9.759 5.335 1.00 0.00 C ATOM 1133 C THR A 74 -0.982 9.527 4.796 1.00 0.00 C ATOM 1134 O THR A 74 0.009 9.873 5.440 1.00 0.00 O ATOM 1135 CB THR A 74 -2.542 11.214 5.778 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.747 11.390 6.504 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.555 12.189 4.621 1.00 0.00 C ATOM 0 H THR A 74 -2.028 8.970 7.244 1.00 0.00 H new ATOM 0 HA THR A 74 -3.111 9.561 4.546 1.00 0.00 H new ATOM 0 HB THR A 74 -1.673 11.424 6.401 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.829 12.327 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.669 13.204 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.618 12.112 4.069 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.387 11.955 3.957 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.905 8.925 3.618 1.00 0.00 N ATOM 1146 CA PHE A 75 0.376 8.627 2.994 1.00 0.00 C ATOM 1147 C PHE A 75 0.620 9.514 1.780 1.00 0.00 C ATOM 1148 O PHE A 75 -0.203 9.581 0.868 1.00 0.00 O ATOM 1149 CB PHE A 75 0.414 7.155 2.593 1.00 0.00 C ATOM 1150 CG PHE A 75 0.813 6.241 3.706 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.146 5.991 3.978 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.156 5.632 4.487 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.509 5.148 5.008 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.200 4.787 5.520 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.535 4.545 5.780 1.00 0.00 C ATOM 0 H PHE A 75 -1.717 8.633 3.074 1.00 0.00 H new ATOM 0 HA PHE A 75 1.169 8.830 3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.570 6.861 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.111 7.031 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.911 6.461 3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.200 5.820 4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.553 4.960 5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.563 4.317 6.123 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.817 3.885 6.587 1.00 0.00 H new ATOM 1165 N TYR A 76 1.763 10.192 1.773 1.00 0.00 N ATOM 1166 CA TYR A 76 2.120 11.073 0.669 1.00 0.00 C ATOM 1167 C TYR A 76 3.158 10.411 -0.227 1.00 0.00 C ATOM 1168 O TYR A 76 4.012 9.662 0.245 1.00 0.00 O ATOM 1169 CB TYR A 76 2.653 12.402 1.201 1.00 0.00 C ATOM 1170 CG TYR A 76 1.786 13.003 2.281 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.851 12.535 3.587 1.00 0.00 C ATOM 1172 CD2 TYR A 76 0.898 14.032 1.996 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.054 13.075 4.578 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.099 14.580 2.981 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.181 14.098 4.270 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.614 14.641 5.255 1.00 0.00 O ATOM 0 H TYR A 76 2.457 10.148 2.519 1.00 0.00 H new ATOM 0 HA TYR A 76 1.224 11.266 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.659 12.251 1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.736 13.109 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.535 11.736 3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.831 14.411 0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.114 12.698 5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.585 15.381 2.743 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.170 15.351 4.872 1.00 0.00 H new ATOM 1186 N ARG A 77 3.069 10.681 -1.522 1.00 0.00 N ATOM 1187 CA ARG A 77 3.995 10.094 -2.483 1.00 0.00 C ATOM 1188 C ARG A 77 5.388 10.701 -2.366 1.00 0.00 C ATOM 1189 O ARG A 77 5.537 11.911 -2.238 1.00 0.00 O ATOM 1190 CB ARG A 77 3.483 10.278 -3.909 1.00 0.00 C ATOM 1191 CG ARG A 77 4.026 9.249 -4.886 1.00 0.00 C ATOM 1192 CD ARG A 77 3.176 7.990 -4.901 1.00 0.00 C ATOM 1193 NE ARG A 77 2.365 7.894 -6.114 1.00 0.00 N ATOM 1194 CZ ARG A 77 2.852 7.551 -7.304 1.00 0.00 C ATOM 1195 NH1 ARG A 77 4.144 7.278 -7.447 1.00 0.00 N ATOM 1196 NH2 ARG A 77 2.046 7.483 -8.355 1.00 0.00 N ATOM 0 H ARG A 77 2.369 11.300 -1.931 1.00 0.00 H new ATOM 0 HA ARG A 77 4.060 9.030 -2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.394 10.225 -3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.752 11.275 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.059 9.679 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.050 8.994 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.822 7.115 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.525 7.981 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 77 1.369 8.102 -6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.769 7.331 -6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.512 7.016 -8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.053 7.694 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.419 7.220 -9.267 1.00 0.00 H new ATOM 1210 N GLU A 78 6.386 9.824 -2.440 1.00 0.00 N ATOM 1211 CA GLU A 78 7.810 10.172 -2.371 1.00 0.00 C ATOM 1212 C GLU A 78 8.120 11.262 -1.338 1.00 0.00 C ATOM 1213 O GLU A 78 8.946 11.061 -0.448 1.00 0.00 O ATOM 1214 CB GLU A 78 8.324 10.533 -3.779 1.00 0.00 C ATOM 1215 CG GLU A 78 8.917 11.932 -3.934 1.00 0.00 C ATOM 1216 CD GLU A 78 7.871 12.979 -4.267 1.00 0.00 C ATOM 1217 OE1 GLU A 78 6.898 12.642 -4.974 1.00 0.00 O ATOM 1218 OE2 GLU A 78 8.026 14.134 -3.820 1.00 0.00 O ATOM 0 H GLU A 78 6.226 8.823 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 78 8.349 9.294 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.082 9.804 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.499 10.429 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.423 12.212 -3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.672 11.917 -4.720 1.00 0.00 H new ATOM 1225 N LYS A 79 7.465 12.407 -1.458 1.00 0.00 N ATOM 1226 CA LYS A 79 7.681 13.516 -0.534 1.00 0.00 C ATOM 1227 C LYS A 79 9.088 14.086 -0.689 1.00 0.00 C ATOM 1228 O LYS A 79 10.018 13.543 -0.058 1.00 0.00 O ATOM 1229 CB LYS A 79 7.456 13.062 0.913 1.00 0.00 C ATOM 1230 CG LYS A 79 6.120 13.505 1.491 1.00 0.00 C ATOM 1231 CD LYS A 79 6.304 14.355 2.739 1.00 0.00 C ATOM 1232 CE LYS A 79 4.976 14.902 3.240 1.00 0.00 C ATOM 1233 NZ LYS A 79 5.166 15.994 4.233 1.00 0.00 N ATOM 1234 OXT LYS A 79 9.247 15.070 -1.441 1.00 0.00 O ATOM 0 H LYS A 79 6.777 12.595 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 79 6.961 14.299 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.519 11.975 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.260 13.453 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.569 14.073 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.519 12.628 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.772 13.758 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.981 15.181 2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.395 15.275 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.399 14.096 3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.238 16.340 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.698 15.632 5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.695 16.774 3.794 1.00 0.00 H new TER 1248 LYS A 79