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= 0.244 K(o=1.1,f=2.3) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0.81 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0 (180deg=-0.174) USER MOD Single : A 2 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.4!) USER MOD Single : A 3 HIS : no HE2:sc= 0.011 X(o=0.011,f=-0.11) USER MOD Single : A 5 TYR OH : rot -40:sc= -3.02! USER MOD Single : A 11 THR OG1 : rot -91:sc= -1.48 USER MOD Single : A 23 ASN : amide:sc= -2.79 K(o=-2.8,f=-11!) USER MOD Single : A 26 TYR OH : rot -177:sc= 1.24 USER MOD Single : A 32 ASN : amide:sc= -0.0823 K(o=-0.082,f=-1.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc=-0.000875 USER MOD Single : A 37 TYR OH : rot 100:sc= -0.643 USER MOD Single : A 38 GLN : amide:sc= -2.11! C(o=-2.1!,f=-1.2!) USER MOD Single : A 41 TYR OH : rot 13:sc= -0.64 USER MOD Single : A 47 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-3.1!) USER MOD Single : A 49 ASN : amide:sc= -1.32 K(o=-1.3,f=-6.4!) USER MOD Single : A 54 THR OG1 : rot -44:sc= 0.867 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00626 USER MOD Single : A 66 ASN : amide:sc= -0.862 K(o=-0.86,f=-0.036) USER MOD Single : A 69 HIS : no HD1:sc= -0.78 X(o=-0.78,f=-0.72) USER MOD Single : A 70 HIS : no HD1:sc= -5.69! C(o=-5.7!,f=-8.9!) 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 USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= -0.908 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.117 -7.636 -14.074 1.00 0.00 N ATOM 2 CA MET A 1 -7.093 -7.502 -12.961 1.00 0.00 C ATOM 3 C MET A 1 -6.653 -6.431 -11.968 1.00 0.00 C ATOM 4 O MET A 1 -7.444 -5.575 -11.572 1.00 0.00 O ATOM 5 CB MET A 1 -7.218 -8.855 -12.257 1.00 0.00 C ATOM 6 CG MET A 1 -7.569 -9.998 -13.195 1.00 0.00 C ATOM 7 SD MET A 1 -8.671 -11.206 -12.437 1.00 0.00 S ATOM 8 CE MET A 1 -10.267 -10.459 -12.760 1.00 0.00 C ATOM 0 H1 MET A 1 -6.556 -8.157 -14.860 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.832 -6.691 -14.402 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.279 -8.154 -13.740 1.00 0.00 H new ATOM 0 HA MET A 1 -8.058 -7.198 -13.366 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.277 -9.083 -11.756 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.982 -8.783 -11.483 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.040 -9.595 -14.092 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.653 -10.497 -13.512 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.054 -11.091 -12.350 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.310 -9.476 -12.291 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.409 -10.355 -13.836 1.00 0.00 H new ATOM 20 N GLN A 2 -5.387 -6.486 -11.569 1.00 0.00 N ATOM 21 CA GLN A 2 -4.840 -5.520 -10.622 1.00 0.00 C ATOM 22 C GLN A 2 -4.501 -4.207 -11.322 1.00 0.00 C ATOM 23 O GLN A 2 -4.515 -4.127 -12.550 1.00 0.00 O ATOM 24 CB GLN A 2 -3.594 -6.093 -9.945 1.00 0.00 C ATOM 25 CG GLN A 2 -3.769 -7.528 -9.472 1.00 0.00 C ATOM 26 CD GLN A 2 -2.604 -8.012 -8.631 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.789 -8.486 -7.510 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.396 -7.895 -9.169 1.00 0.00 N ATOM 0 H GLN A 2 -4.720 -7.189 -11.886 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.596 -5.319 -9.863 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.757 -6.048 -10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.332 -5.467 -9.092 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.688 -7.605 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.883 -8.180 -10.338 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.290 -7.496 -10.102 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.574 -8.204 -8.650 1.00 0.00 H new ATOM 37 N HIS A 3 -4.206 -3.178 -10.534 1.00 0.00 N ATOM 38 CA HIS A 3 -3.872 -1.869 -11.086 1.00 0.00 C ATOM 39 C HIS A 3 -2.590 -1.316 -10.463 1.00 0.00 C ATOM 40 O HIS A 3 -2.623 -0.710 -9.393 1.00 0.00 O ATOM 41 CB HIS A 3 -5.027 -0.890 -10.856 1.00 0.00 C ATOM 42 CG HIS A 3 -5.802 -0.580 -12.099 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.326 -1.553 -12.924 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.146 0.606 -12.655 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.956 -0.980 -13.934 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.862 0.329 -13.795 1.00 0.00 N ATOM 0 H HIS A 3 -4.191 -3.224 -9.515 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.707 -1.988 -12.157 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.703 -1.307 -10.110 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.630 0.038 -10.444 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -6.240 -2.559 -12.777 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.903 1.587 -12.274 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.462 -1.495 -14.737 1.00 0.00 H new ATOM 55 N PRO A 4 -1.437 -1.512 -11.131 1.00 0.00 N ATOM 56 CA PRO A 4 -0.141 -1.022 -10.641 1.00 0.00 C ATOM 57 C PRO A 4 -0.112 0.497 -10.519 1.00 0.00 C ATOM 58 O PRO A 4 -0.906 1.192 -11.156 1.00 0.00 O ATOM 59 CB PRO A 4 0.851 -1.481 -11.720 1.00 0.00 C ATOM 60 CG PRO A 4 0.152 -2.575 -12.450 1.00 0.00 C ATOM 61 CD PRO A 4 -1.305 -2.222 -12.414 1.00 0.00 C ATOM 0 HA PRO A 4 0.085 -1.402 -9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.110 -0.662 -12.391 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.781 -1.835 -11.275 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.511 -2.652 -13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.333 -3.540 -11.976 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.589 -1.591 -13.256 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.937 -3.109 -12.452 1.00 0.00 H new ATOM 69 N TYR A 5 0.811 1.013 -9.713 1.00 0.00 N ATOM 70 CA TYR A 5 0.936 2.456 -9.535 1.00 0.00 C ATOM 71 C TYR A 5 2.383 2.859 -9.330 1.00 0.00 C ATOM 72 O TYR A 5 2.849 3.836 -9.914 1.00 0.00 O ATOM 73 CB TYR A 5 0.094 2.946 -8.355 1.00 0.00 C ATOM 74 CG TYR A 5 -1.308 3.333 -8.757 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.246 2.365 -9.077 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.687 4.666 -8.831 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.527 2.714 -9.461 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.965 5.024 -9.216 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.881 4.044 -9.528 1.00 0.00 C ATOM 80 OH TYR A 5 -5.154 4.396 -9.913 1.00 0.00 O ATOM 0 H TYR A 5 1.478 0.459 -9.177 1.00 0.00 H new ATOM 0 HA TYR A 5 0.566 2.924 -10.447 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.047 2.163 -7.598 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.585 3.804 -7.896 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.972 1.322 -9.026 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.971 5.436 -8.584 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.247 1.948 -9.707 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.244 6.066 -9.272 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.446 3.815 -10.646 1.00 0.00 H new ATOM 90 N VAL A 6 3.096 2.104 -8.504 1.00 0.00 N ATOM 91 CA VAL A 6 4.492 2.403 -8.240 1.00 0.00 C ATOM 92 C VAL A 6 4.644 3.777 -7.592 1.00 0.00 C ATOM 93 O VAL A 6 4.095 4.767 -8.072 1.00 0.00 O ATOM 94 CB VAL A 6 5.310 2.368 -9.538 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.796 2.510 -9.245 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.024 1.090 -10.305 1.00 0.00 C ATOM 0 H VAL A 6 2.733 1.288 -8.011 1.00 0.00 H new ATOM 0 HA VAL A 6 4.865 1.641 -7.555 1.00 0.00 H new ATOM 0 HB VAL A 6 5.013 3.213 -10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.355 2.482 -10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.978 3.459 -8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.120 1.690 -8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.611 1.078 -11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.292 0.230 -9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.963 1.043 -10.551 1.00 0.00 H new ATOM 106 N GLY A 7 5.388 3.826 -6.496 1.00 0.00 N ATOM 107 CA GLY A 7 5.592 5.079 -5.797 1.00 0.00 C ATOM 108 C GLY A 7 5.915 4.874 -4.333 1.00 0.00 C ATOM 109 O GLY A 7 5.421 3.936 -3.713 1.00 0.00 O ATOM 0 H GLY A 7 5.854 3.021 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.404 5.630 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.696 5.693 -5.887 1.00 0.00 H new ATOM 113 N ILE A 8 6.738 5.754 -3.773 1.00 0.00 N ATOM 114 CA ILE A 8 7.102 5.651 -2.366 1.00 0.00 C ATOM 115 C ILE A 8 6.168 6.496 -1.517 1.00 0.00 C ATOM 116 O ILE A 8 6.328 7.709 -1.402 1.00 0.00 O ATOM 117 CB ILE A 8 8.568 6.057 -2.121 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.487 5.068 -2.851 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.871 6.107 -0.624 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.578 4.459 -1.993 1.00 0.00 C ATOM 0 H ILE A 8 7.162 6.539 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 8 7.000 4.605 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 8 8.745 7.058 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.877 4.264 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.951 5.580 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.911 6.396 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.219 6.837 -0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.700 5.124 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.175 3.774 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.217 5.250 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.127 3.914 -1.164 1.00 0.00 H new ATOM 132 N TRP A 9 5.185 5.833 -0.935 1.00 0.00 N ATOM 133 CA TRP A 9 4.194 6.496 -0.102 1.00 0.00 C ATOM 134 C TRP A 9 4.635 6.500 1.357 1.00 0.00 C ATOM 135 O TRP A 9 4.618 5.470 2.030 1.00 0.00 O ATOM 136 CB TRP A 9 2.835 5.807 -0.266 1.00 0.00 C ATOM 137 CG TRP A 9 2.438 5.645 -1.710 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.987 4.787 -2.622 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.418 6.369 -2.410 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.374 4.931 -3.845 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.405 5.896 -3.740 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.514 7.369 -2.043 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.524 6.392 -4.696 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.359 7.859 -2.996 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.350 7.370 -4.308 1.00 0.00 C ATOM 0 H TRP A 9 5.050 4.826 -1.025 1.00 0.00 H new ATOM 0 HA TRP A 9 4.098 7.534 -0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.869 4.827 0.210 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.073 6.387 0.254 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.788 4.094 -2.412 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.602 4.407 -4.690 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.498 7.752 -1.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.530 6.018 -5.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.061 8.633 -2.724 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.047 7.773 -5.028 1.00 0.00 H new ATOM 156 N VAL A 10 5.044 7.673 1.830 1.00 0.00 N ATOM 157 CA VAL A 10 5.512 7.833 3.201 1.00 0.00 C ATOM 158 C VAL A 10 4.555 8.699 4.011 1.00 0.00 C ATOM 159 O VAL A 10 3.812 9.510 3.459 1.00 0.00 O ATOM 160 CB VAL A 10 6.924 8.460 3.229 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.358 8.791 4.650 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.931 7.529 2.570 1.00 0.00 C ATOM 0 H VAL A 10 5.060 8.531 1.279 1.00 0.00 H new ATOM 0 HA VAL A 10 5.553 6.841 3.650 1.00 0.00 H new ATOM 0 HB VAL A 10 6.885 9.393 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.355 9.230 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.657 9.501 5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.373 7.879 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.921 7.985 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.954 6.580 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.641 7.354 1.534 1.00 0.00 H new ATOM 172 N THR A 11 4.582 8.514 5.325 1.00 0.00 N ATOM 173 CA THR A 11 3.718 9.269 6.223 1.00 0.00 C ATOM 174 C THR A 11 4.112 10.744 6.262 1.00 0.00 C ATOM 175 O THR A 11 5.092 11.151 5.637 1.00 0.00 O ATOM 176 CB THR A 11 3.772 8.667 7.625 1.00 0.00 C ATOM 177 OG1 THR A 11 5.016 8.022 7.847 1.00 0.00 O ATOM 178 CG2 THR A 11 2.678 7.654 7.873 1.00 0.00 C ATOM 0 H THR A 11 5.194 7.846 5.793 1.00 0.00 H new ATOM 0 HA THR A 11 2.697 9.208 5.846 1.00 0.00 H new ATOM 0 HB THR A 11 3.637 9.504 8.310 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.946 7.079 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.768 7.261 8.886 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.706 8.132 7.755 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.770 6.837 7.158 1.00 0.00 H new ATOM 186 N ALA A 12 3.338 11.539 6.995 1.00 0.00 N ATOM 187 CA ALA A 12 3.599 12.971 7.109 1.00 0.00 C ATOM 188 C ALA A 12 4.760 13.259 8.058 1.00 0.00 C ATOM 189 O ALA A 12 5.353 14.337 8.013 1.00 0.00 O ATOM 190 CB ALA A 12 2.344 13.701 7.572 1.00 0.00 C ATOM 0 H ALA A 12 2.525 11.216 7.519 1.00 0.00 H new ATOM 0 HA ALA A 12 3.881 13.336 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.553 14.768 7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.543 13.542 6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.037 13.317 8.545 1.00 0.00 H new ATOM 196 N ASP A 13 5.082 12.296 8.916 1.00 0.00 N ATOM 197 CA ASP A 13 6.173 12.463 9.869 1.00 0.00 C ATOM 198 C ASP A 13 7.415 11.703 9.414 1.00 0.00 C ATOM 199 O ASP A 13 8.537 12.062 9.770 1.00 0.00 O ATOM 200 CB ASP A 13 5.744 11.984 11.258 1.00 0.00 C ATOM 201 CG ASP A 13 6.046 13.004 12.338 1.00 0.00 C ATOM 202 OD1 ASP A 13 5.892 14.214 12.073 1.00 0.00 O ATOM 203 OD2 ASP A 13 6.434 12.591 13.452 1.00 0.00 O ATOM 0 H ASP A 13 4.605 11.396 8.971 1.00 0.00 H new ATOM 0 HA ASP A 13 6.419 13.524 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.675 11.770 11.252 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.254 11.050 11.491 1.00 0.00 H new ATOM 208 N GLY A 14 7.207 10.651 8.630 1.00 0.00 N ATOM 209 CA GLY A 14 8.321 9.858 8.148 1.00 0.00 C ATOM 210 C GLY A 14 8.647 8.707 9.077 1.00 0.00 C ATOM 211 O GLY A 14 9.772 8.204 9.081 1.00 0.00 O ATOM 0 H GLY A 14 6.288 10.334 8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.086 9.468 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.199 10.495 8.040 1.00 0.00 H new ATOM 215 N ARG A 15 7.661 8.284 9.862 1.00 0.00 N ATOM 216 CA ARG A 15 7.856 7.174 10.793 1.00 0.00 C ATOM 217 C ARG A 15 7.861 5.852 10.036 1.00 0.00 C ATOM 218 O ARG A 15 8.517 4.893 10.444 1.00 0.00 O ATOM 219 CB ARG A 15 6.784 7.144 11.899 1.00 0.00 C ATOM 220 CG ARG A 15 5.636 8.127 11.712 1.00 0.00 C ATOM 221 CD ARG A 15 4.718 7.706 10.577 1.00 0.00 C ATOM 222 NE ARG A 15 3.481 7.102 11.067 1.00 0.00 N ATOM 223 CZ ARG A 15 2.454 7.799 11.547 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.511 9.124 11.602 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.367 7.171 11.971 1.00 0.00 N ATOM 0 H ARG A 15 6.725 8.689 9.874 1.00 0.00 H new ATOM 0 HA ARG A 15 8.820 7.323 11.279 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.373 6.136 11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.265 7.349 12.855 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.063 8.198 12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.036 9.120 11.508 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.479 8.575 9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.238 6.996 9.935 1.00 0.00 H new ATOM 0 HE ARG A 15 3.400 6.086 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.345 9.613 11.275 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.721 9.654 11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.317 6.153 11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.580 7.706 12.339 1.00 0.00 H new ATOM 239 N ILE A 16 7.135 5.812 8.924 1.00 0.00 N ATOM 240 CA ILE A 16 7.067 4.611 8.102 1.00 0.00 C ATOM 241 C ILE A 16 7.082 4.975 6.622 1.00 0.00 C ATOM 242 O ILE A 16 6.716 6.087 6.245 1.00 0.00 O ATOM 243 CB ILE A 16 5.821 3.742 8.433 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.670 3.983 7.447 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.353 3.999 9.855 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.596 2.942 6.353 1.00 0.00 C ATOM 0 H ILE A 16 6.586 6.597 8.572 1.00 0.00 H new ATOM 0 HA ILE A 16 7.949 4.014 8.332 1.00 0.00 H new ATOM 0 HB ILE A 16 6.123 2.699 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.727 3.993 7.994 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.787 4.968 6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.480 3.382 10.068 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.153 3.749 10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.090 5.051 9.967 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.761 3.170 5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.525 2.947 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.448 1.958 6.797 1.00 0.00 H new ATOM 258 N ARG A 17 7.510 4.038 5.792 1.00 0.00 N ATOM 259 CA ARG A 17 7.577 4.268 4.356 1.00 0.00 C ATOM 260 C ARG A 17 7.070 3.051 3.587 1.00 0.00 C ATOM 261 O ARG A 17 7.461 1.921 3.873 1.00 0.00 O ATOM 262 CB ARG A 17 9.021 4.617 3.959 1.00 0.00 C ATOM 263 CG ARG A 17 9.543 3.892 2.726 1.00 0.00 C ATOM 264 CD ARG A 17 11.047 4.053 2.590 1.00 0.00 C ATOM 265 NE ARG A 17 11.778 3.129 3.456 1.00 0.00 N ATOM 266 CZ ARG A 17 13.058 2.810 3.284 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.753 3.335 2.284 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.646 1.962 4.118 1.00 0.00 N ATOM 0 H ARG A 17 7.816 3.111 6.087 1.00 0.00 H new ATOM 0 HA ARG A 17 6.931 5.107 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.084 5.691 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.677 4.392 4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.292 2.833 2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.051 4.283 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.337 3.884 1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.326 5.078 2.836 1.00 0.00 H new ATOM 0 HE ARG A 17 11.278 2.705 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.307 3.988 1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.734 3.086 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.117 1.556 4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.627 1.716 3.988 1.00 0.00 H new ATOM 282 N GLN A 18 6.202 3.292 2.610 1.00 0.00 N ATOM 283 CA GLN A 18 5.645 2.215 1.799 1.00 0.00 C ATOM 284 C GLN A 18 5.988 2.412 0.328 1.00 0.00 C ATOM 285 O GLN A 18 5.514 3.352 -0.308 1.00 0.00 O ATOM 286 CB GLN A 18 4.130 2.137 1.986 1.00 0.00 C ATOM 287 CG GLN A 18 3.510 0.872 1.415 1.00 0.00 C ATOM 288 CD GLN A 18 2.074 1.075 0.973 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.137 0.747 1.700 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.894 1.619 -0.225 1.00 0.00 N ATOM 0 H GLN A 18 5.869 4.223 2.361 1.00 0.00 H new ATOM 0 HA GLN A 18 6.087 1.275 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.900 2.196 3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.669 3.003 1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.103 0.532 0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.547 0.083 2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.700 1.876 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.950 1.780 -0.575 1.00 0.00 H new ATOM 299 N GLU A 19 6.821 1.523 -0.209 1.00 0.00 N ATOM 300 CA GLU A 19 7.227 1.613 -1.605 1.00 0.00 C ATOM 301 C GLU A 19 6.327 0.783 -2.497 1.00 0.00 C ATOM 302 O GLU A 19 6.149 -0.416 -2.278 1.00 0.00 O ATOM 303 CB GLU A 19 8.672 1.143 -1.787 1.00 0.00 C ATOM 304 CG GLU A 19 9.146 1.167 -3.232 1.00 0.00 C ATOM 305 CD GLU A 19 10.607 0.787 -3.372 1.00 0.00 C ATOM 306 OE1 GLU A 19 10.911 -0.424 -3.330 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.446 1.699 -3.525 1.00 0.00 O ATOM 0 H GLU A 19 7.225 0.737 0.300 1.00 0.00 H new ATOM 0 HA GLU A 19 7.145 2.661 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.328 1.775 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.766 0.128 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.538 0.481 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.992 2.164 -3.644 1.00 0.00 H new ATOM 314 N LEU A 20 5.801 1.415 -3.531 1.00 0.00 N ATOM 315 CA LEU A 20 4.967 0.717 -4.487 1.00 0.00 C ATOM 316 C LEU A 20 5.861 0.240 -5.620 1.00 0.00 C ATOM 317 O LEU A 20 6.430 1.036 -6.367 1.00 0.00 O ATOM 318 CB LEU A 20 3.823 1.611 -4.980 1.00 0.00 C ATOM 319 CG LEU A 20 2.692 1.832 -3.970 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.430 2.306 -4.668 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.409 0.570 -3.169 1.00 0.00 C ATOM 0 H LEU A 20 5.937 2.407 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 20 4.488 -0.144 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.235 2.581 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.402 1.171 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 20 3.019 2.607 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.641 2.456 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.630 3.246 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.112 1.557 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.602 0.761 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.116 -0.233 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.306 0.276 -2.624 1.00 0.00 H new ATOM 333 N LEU A 21 6.042 -1.068 -5.678 1.00 0.00 N ATOM 334 CA LEU A 21 6.929 -1.689 -6.644 1.00 0.00 C ATOM 335 C LEU A 21 6.510 -1.472 -8.089 1.00 0.00 C ATOM 336 O LEU A 21 5.341 -1.232 -8.385 1.00 0.00 O ATOM 337 CB LEU A 21 7.041 -3.181 -6.342 1.00 0.00 C ATOM 338 CG LEU A 21 8.307 -3.610 -5.575 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.082 -2.405 -5.043 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.937 -4.534 -4.431 1.00 0.00 C ATOM 0 H LEU A 21 5.577 -1.729 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 21 7.899 -1.204 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.168 -3.483 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.005 -3.728 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 21 8.953 -4.139 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.967 -2.749 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.385 -1.770 -5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.447 -1.835 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.839 -4.831 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.264 -4.016 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.441 -5.421 -4.825 1.00 0.00 H new ATOM 352 N PRO A 22 7.495 -1.568 -9.007 1.00 0.00 N ATOM 353 CA PRO A 22 7.280 -1.388 -10.447 1.00 0.00 C ATOM 354 C PRO A 22 6.365 -2.452 -11.038 1.00 0.00 C ATOM 355 O PRO A 22 5.834 -2.282 -12.136 1.00 0.00 O ATOM 356 CB PRO A 22 8.690 -1.506 -11.046 1.00 0.00 C ATOM 357 CG PRO A 22 9.619 -1.306 -9.898 1.00 0.00 C ATOM 358 CD PRO A 22 8.907 -1.865 -8.705 1.00 0.00 C ATOM 0 HA PRO A 22 6.790 -0.438 -10.662 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.841 -2.481 -11.510 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.853 -0.756 -11.820 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.566 -1.819 -10.066 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.849 -0.250 -9.759 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.081 -2.935 -8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.232 -1.390 -7.779 1.00 0.00 H new ATOM 366 N ASN A 23 6.178 -3.547 -10.309 1.00 0.00 N ATOM 367 CA ASN A 23 5.323 -4.625 -10.777 1.00 0.00 C ATOM 368 C ASN A 23 3.920 -4.500 -10.193 1.00 0.00 C ATOM 369 O ASN A 23 3.187 -5.484 -10.097 1.00 0.00 O ATOM 370 CB ASN A 23 5.930 -5.978 -10.411 1.00 0.00 C ATOM 371 CG ASN A 23 6.029 -6.192 -8.915 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.682 -5.314 -8.124 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.506 -7.368 -8.518 1.00 0.00 N ATOM 0 H ASN A 23 6.606 -3.709 -9.397 1.00 0.00 H new ATOM 0 HA ASN A 23 5.248 -4.554 -11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.325 -6.773 -10.848 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.924 -6.056 -10.851 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.596 -7.572 -7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.781 -8.066 -9.209 1.00 0.00 H new ATOM 380 N GLY A 24 3.553 -3.283 -9.801 1.00 0.00 N ATOM 381 CA GLY A 24 2.241 -3.053 -9.228 1.00 0.00 C ATOM 382 C GLY A 24 2.093 -3.713 -7.877 1.00 0.00 C ATOM 383 O GLY A 24 1.153 -4.472 -7.648 1.00 0.00 O ATOM 0 H GLY A 24 4.142 -2.453 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.071 -1.981 -9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.477 -3.436 -9.905 1.00 0.00 H new ATOM 387 N ARG A 25 3.032 -3.427 -6.986 1.00 0.00 N ATOM 388 CA ARG A 25 3.011 -4.006 -5.647 1.00 0.00 C ATOM 389 C ARG A 25 3.453 -2.999 -4.604 1.00 0.00 C ATOM 390 O ARG A 25 3.741 -1.851 -4.926 1.00 0.00 O ATOM 391 CB ARG A 25 3.893 -5.246 -5.599 1.00 0.00 C ATOM 392 CG ARG A 25 3.511 -6.263 -6.648 1.00 0.00 C ATOM 393 CD ARG A 25 2.150 -6.874 -6.348 1.00 0.00 C ATOM 394 NE ARG A 25 1.675 -7.715 -7.444 1.00 0.00 N ATOM 395 CZ ARG A 25 2.056 -8.977 -7.631 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.918 -9.548 -6.798 1.00 0.00 N ATOM 397 NH2 ARG A 25 1.578 -9.670 -8.656 1.00 0.00 N ATOM 0 H ARG A 25 3.816 -2.800 -7.164 1.00 0.00 H new ATOM 0 HA ARG A 25 1.985 -4.292 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.934 -4.954 -5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.822 -5.702 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.492 -5.789 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.265 -7.049 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.212 -7.468 -5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.428 -6.079 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 25 1.012 -7.311 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.292 -9.020 -6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.206 -10.515 -6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.918 -9.236 -9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.870 -10.637 -8.799 1.00 0.00 H new ATOM 411 N TYR A 26 3.475 -3.424 -3.345 1.00 0.00 N ATOM 412 CA TYR A 26 3.849 -2.531 -2.260 1.00 0.00 C ATOM 413 C TYR A 26 4.782 -3.195 -1.251 1.00 0.00 C ATOM 414 O TYR A 26 4.715 -4.400 -1.014 1.00 0.00 O ATOM 415 CB TYR A 26 2.582 -2.010 -1.577 1.00 0.00 C ATOM 416 CG TYR A 26 2.134 -2.800 -0.375 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.850 -2.760 0.809 1.00 0.00 C ATOM 418 CD2 TYR A 26 0.989 -3.576 -0.429 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.438 -3.477 1.914 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.564 -4.296 0.668 1.00 0.00 C ATOM 421 CZ TYR A 26 1.293 -4.245 1.840 1.00 0.00 C ATOM 422 OH TYR A 26 0.875 -4.961 2.938 1.00 0.00 O ATOM 0 H TYR A 26 3.240 -4.373 -3.055 1.00 0.00 H new ATOM 0 HA TYR A 26 4.407 -1.696 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.751 -0.977 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.773 -1.998 -2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.745 -2.158 0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.419 -3.618 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.008 -3.438 2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.333 -4.895 0.611 1.00 0.00 H new ATOM 0 HH TYR A 26 0.080 -5.484 2.704 1.00 0.00 H new ATOM 432 N ASP A 27 5.639 -2.374 -0.652 1.00 0.00 N ATOM 433 CA ASP A 27 6.595 -2.825 0.352 1.00 0.00 C ATOM 434 C ASP A 27 6.823 -1.712 1.368 1.00 0.00 C ATOM 435 O ASP A 27 7.386 -0.670 1.035 1.00 0.00 O ATOM 436 CB ASP A 27 7.920 -3.207 -0.307 1.00 0.00 C ATOM 437 CG ASP A 27 8.181 -4.699 -0.263 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.622 -5.425 -1.111 1.00 0.00 O ATOM 439 OD2 ASP A 27 8.945 -5.142 0.621 1.00 0.00 O ATOM 0 H ASP A 27 5.690 -1.375 -0.850 1.00 0.00 H new ATOM 0 HA ASP A 27 6.193 -3.704 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.916 -2.873 -1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.735 -2.684 0.193 1.00 0.00 H new ATOM 444 N GLU A 28 6.366 -1.917 2.598 1.00 0.00 N ATOM 445 CA GLU A 28 6.512 -0.898 3.627 1.00 0.00 C ATOM 446 C GLU A 28 7.617 -1.238 4.622 1.00 0.00 C ATOM 447 O GLU A 28 7.705 -2.359 5.124 1.00 0.00 O ATOM 448 CB GLU A 28 5.168 -0.674 4.341 1.00 0.00 C ATOM 449 CG GLU A 28 5.281 -0.345 5.825 1.00 0.00 C ATOM 450 CD GLU A 28 3.942 -0.390 6.534 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.090 0.479 6.251 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.744 -1.296 7.371 1.00 0.00 O ATOM 0 H GLU A 28 5.897 -2.770 2.903 1.00 0.00 H new ATOM 0 HA GLU A 28 6.810 0.030 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.638 0.138 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.558 -1.570 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.963 -1.051 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.717 0.647 5.942 1.00 0.00 H new ATOM 459 N ALA A 29 8.443 -0.237 4.911 1.00 0.00 N ATOM 460 CA ALA A 29 9.538 -0.382 5.858 1.00 0.00 C ATOM 461 C ALA A 29 9.361 0.600 7.008 1.00 0.00 C ATOM 462 O ALA A 29 9.575 1.802 6.850 1.00 0.00 O ATOM 463 CB ALA A 29 10.871 -0.150 5.160 1.00 0.00 C ATOM 0 H ALA A 29 8.371 0.692 4.496 1.00 0.00 H new ATOM 0 HA ALA A 29 9.530 -1.396 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.682 -0.261 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.994 -0.879 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.892 0.856 4.742 1.00 0.00 H new ATOM 469 N ARG A 30 8.951 0.086 8.161 1.00 0.00 N ATOM 470 CA ARG A 30 8.726 0.924 9.333 1.00 0.00 C ATOM 471 C ARG A 30 9.906 0.867 10.297 1.00 0.00 C ATOM 472 O ARG A 30 10.107 -0.127 10.994 1.00 0.00 O ATOM 473 CB ARG A 30 7.442 0.493 10.044 1.00 0.00 C ATOM 474 CG ARG A 30 6.300 0.182 9.090 1.00 0.00 C ATOM 475 CD ARG A 30 4.951 0.520 9.700 1.00 0.00 C ATOM 476 NE ARG A 30 4.836 0.044 11.076 1.00 0.00 N ATOM 477 CZ ARG A 30 3.936 0.498 11.945 1.00 0.00 C ATOM 478 NH1 ARG A 30 3.072 1.440 11.586 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.900 0.010 13.178 1.00 0.00 N ATOM 0 H ARG A 30 8.768 -0.906 8.310 1.00 0.00 H new ATOM 0 HA ARG A 30 8.624 1.955 8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.650 -0.389 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.130 1.283 10.727 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.433 0.746 8.167 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.325 -0.875 8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.803 1.600 9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.159 0.077 9.096 1.00 0.00 H new ATOM 0 HE ARG A 30 5.484 -0.679 11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.096 1.820 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.385 1.784 12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.562 -0.713 13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.210 0.358 13.844 1.00 0.00 H new ATOM 493 N GLY A 31 10.682 1.948 10.335 1.00 0.00 N ATOM 494 CA GLY A 31 11.833 2.015 11.220 1.00 0.00 C ATOM 495 C GLY A 31 12.746 0.811 11.094 1.00 0.00 C ATOM 496 O GLY A 31 12.902 0.252 10.009 1.00 0.00 O ATOM 0 H GLY A 31 10.533 2.782 9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.401 2.919 11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.488 2.097 12.251 1.00 0.00 H new ATOM 500 N ASN A 32 13.352 0.414 12.209 1.00 0.00 N ATOM 501 CA ASN A 32 14.256 -0.730 12.226 1.00 0.00 C ATOM 502 C ASN A 32 13.570 -1.982 11.685 1.00 0.00 C ATOM 503 O ASN A 32 14.231 -2.911 11.220 1.00 0.00 O ATOM 504 CB ASN A 32 14.759 -0.988 13.648 1.00 0.00 C ATOM 505 CG ASN A 32 16.208 -1.433 13.678 1.00 0.00 C ATOM 506 OD1 ASN A 32 16.789 -1.762 12.644 1.00 0.00 O ATOM 507 ND2 ASN A 32 16.799 -1.445 14.866 1.00 0.00 N ATOM 0 H ASN A 32 13.233 0.869 13.114 1.00 0.00 H new ATOM 0 HA ASN A 32 15.103 -0.496 11.581 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.649 -0.079 14.240 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.138 -1.751 14.117 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.773 -1.735 14.948 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.279 -1.164 15.697 1.00 0.00 H new ATOM 514 N ARG A 33 12.242 -1.999 11.744 1.00 0.00 N ATOM 515 CA ARG A 33 11.472 -3.137 11.255 1.00 0.00 C ATOM 516 C ARG A 33 11.048 -2.914 9.806 1.00 0.00 C ATOM 517 O ARG A 33 9.908 -2.539 9.533 1.00 0.00 O ATOM 518 CB ARG A 33 10.238 -3.371 12.137 1.00 0.00 C ATOM 519 CG ARG A 33 9.320 -4.474 11.633 1.00 0.00 C ATOM 520 CD ARG A 33 9.965 -5.843 11.768 1.00 0.00 C ATOM 521 NE ARG A 33 9.451 -6.578 12.922 1.00 0.00 N ATOM 522 CZ ARG A 33 9.555 -7.897 13.068 1.00 0.00 C ATOM 523 NH1 ARG A 33 10.154 -8.630 12.139 1.00 0.00 N ATOM 524 NH2 ARG A 33 9.057 -8.484 14.148 1.00 0.00 N ATOM 0 H ARG A 33 11.678 -1.239 12.125 1.00 0.00 H new ATOM 0 HA ARG A 33 12.106 -4.023 11.300 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.567 -3.618 13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.671 -2.443 12.205 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.385 -4.455 12.193 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.069 -4.291 10.588 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.785 -6.420 10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.045 -5.728 11.863 1.00 0.00 H new ATOM 0 HE ARG A 33 8.985 -6.049 13.659 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.538 -8.183 11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.230 -9.640 12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.595 -7.925 14.865 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.136 -9.495 14.261 1.00 0.00 H new ATOM 538 N LYS A 34 11.973 -3.149 8.882 1.00 0.00 N ATOM 539 CA LYS A 34 11.692 -2.975 7.462 1.00 0.00 C ATOM 540 C LYS A 34 11.008 -4.215 6.897 1.00 0.00 C ATOM 541 O LYS A 34 10.942 -5.251 7.559 1.00 0.00 O ATOM 542 CB LYS A 34 12.977 -2.684 6.684 1.00 0.00 C ATOM 543 CG LYS A 34 14.147 -3.569 7.078 1.00 0.00 C ATOM 544 CD LYS A 34 15.013 -2.901 8.133 1.00 0.00 C ATOM 545 CE LYS A 34 16.268 -2.296 7.525 1.00 0.00 C ATOM 546 NZ LYS A 34 17.412 -2.318 8.478 1.00 0.00 N ATOM 0 H LYS A 34 12.922 -3.460 9.090 1.00 0.00 H new ATOM 0 HA LYS A 34 11.022 -2.123 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.782 -2.809 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.255 -1.641 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.774 -4.520 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.750 -3.792 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.440 -2.122 8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.292 -3.632 8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.536 -2.846 6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.066 -1.268 7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.249 -1.897 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.166 -1.772 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.621 -3.301 8.746 1.00 0.00 H new ATOM 560 N SER A 35 10.496 -4.104 5.675 1.00 0.00 N ATOM 561 CA SER A 35 9.812 -5.221 5.032 1.00 0.00 C ATOM 562 C SER A 35 8.763 -5.822 5.963 1.00 0.00 C ATOM 563 O SER A 35 8.462 -7.014 5.890 1.00 0.00 O ATOM 564 CB SER A 35 10.820 -6.294 4.619 1.00 0.00 C ATOM 565 OG SER A 35 12.120 -5.748 4.484 1.00 0.00 O ATOM 0 H SER A 35 10.541 -3.255 5.112 1.00 0.00 H new ATOM 0 HA SER A 35 9.309 -4.844 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.832 -7.091 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.511 -6.743 3.675 1.00 0.00 H new ATOM 0 HG SER A 35 12.746 -6.455 4.221 1.00 0.00 H new ATOM 571 N ALA A 36 8.212 -4.988 6.842 1.00 0.00 N ATOM 572 CA ALA A 36 7.199 -5.434 7.791 1.00 0.00 C ATOM 573 C ALA A 36 6.052 -6.143 7.082 1.00 0.00 C ATOM 574 O ALA A 36 5.630 -7.226 7.488 1.00 0.00 O ATOM 575 CB ALA A 36 6.676 -4.247 8.587 1.00 0.00 C ATOM 0 H ALA A 36 8.451 -3.999 6.916 1.00 0.00 H new ATOM 0 HA ALA A 36 7.661 -6.148 8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.920 -4.588 9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.499 -3.783 9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.235 -3.519 7.907 1.00 0.00 H new ATOM 581 N TYR A 37 5.553 -5.523 6.019 1.00 0.00 N ATOM 582 CA TYR A 37 4.455 -6.086 5.248 1.00 0.00 C ATOM 583 C TYR A 37 4.528 -5.665 3.783 1.00 0.00 C ATOM 584 O TYR A 37 4.868 -4.525 3.466 1.00 0.00 O ATOM 585 CB TYR A 37 3.114 -5.654 5.844 1.00 0.00 C ATOM 586 CG TYR A 37 2.287 -6.811 6.347 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.629 -7.468 7.518 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.172 -7.249 5.646 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.881 -8.533 7.984 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.417 -8.314 6.102 1.00 0.00 C ATOM 591 CZ TYR A 37 0.775 -8.952 7.271 1.00 0.00 C ATOM 592 OH TYR A 37 0.028 -10.013 7.729 1.00 0.00 O ATOM 0 H TYR A 37 5.894 -4.627 5.672 1.00 0.00 H new ATOM 0 HA TYR A 37 4.540 -7.172 5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.295 -4.961 6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.546 -5.111 5.089 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.495 -7.143 8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.890 -6.750 4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.160 -9.034 8.899 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.448 -8.644 5.546 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.770 -9.677 8.187 1.00 0.00 H new ATOM 602 N GLN A 38 4.192 -6.596 2.899 1.00 0.00 N ATOM 603 CA GLN A 38 4.199 -6.342 1.462 1.00 0.00 C ATOM 604 C GLN A 38 3.170 -7.229 0.776 1.00 0.00 C ATOM 605 O GLN A 38 2.888 -8.332 1.242 1.00 0.00 O ATOM 606 CB GLN A 38 5.585 -6.593 0.854 1.00 0.00 C ATOM 607 CG GLN A 38 6.687 -6.832 1.877 1.00 0.00 C ATOM 608 CD GLN A 38 6.536 -8.157 2.600 1.00 0.00 C ATOM 609 OE1 GLN A 38 6.465 -9.214 1.974 1.00 0.00 O ATOM 610 NE2 GLN A 38 6.486 -8.105 3.926 1.00 0.00 N ATOM 0 H GLN A 38 3.909 -7.542 3.154 1.00 0.00 H new ATOM 0 HA GLN A 38 3.946 -5.294 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.527 -7.457 0.192 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.858 -5.737 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.655 -6.804 1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.682 -6.022 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.549 -7.206 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.385 -8.964 4.467 1.00 0.00 H new ATOM 619 N GLY A 39 2.609 -6.750 -0.327 1.00 0.00 N ATOM 620 CA GLY A 39 1.618 -7.540 -1.033 1.00 0.00 C ATOM 621 C GLY A 39 1.238 -6.956 -2.375 1.00 0.00 C ATOM 622 O GLY A 39 2.087 -6.779 -3.248 1.00 0.00 O ATOM 0 H GLY A 39 2.818 -5.842 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.004 -8.549 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.724 -7.627 -0.415 1.00 0.00 H new ATOM 626 N ARG A 40 -0.045 -6.658 -2.539 1.00 0.00 N ATOM 627 CA ARG A 40 -0.544 -6.092 -3.778 1.00 0.00 C ATOM 628 C ARG A 40 -1.802 -5.288 -3.506 1.00 0.00 C ATOM 629 O ARG A 40 -2.408 -5.416 -2.442 1.00 0.00 O ATOM 630 CB ARG A 40 -0.830 -7.201 -4.794 1.00 0.00 C ATOM 631 CG ARG A 40 -2.005 -8.092 -4.418 1.00 0.00 C ATOM 632 CD ARG A 40 -1.539 -9.447 -3.911 1.00 0.00 C ATOM 633 NE ARG A 40 -1.248 -10.371 -5.003 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.505 -11.467 -4.870 1.00 0.00 C ATOM 635 NH1 ARG A 40 0.024 -11.780 -3.693 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.290 -12.254 -5.916 1.00 0.00 N ATOM 0 H ARG A 40 -0.758 -6.801 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 40 0.215 -5.431 -4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.026 -6.748 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.061 -7.819 -4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.603 -7.602 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.650 -8.230 -5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.647 -9.317 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.307 -9.877 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.637 -10.164 -5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.138 -11.179 -2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.593 -12.621 -3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.694 -12.019 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.280 -13.094 -5.814 1.00 0.00 H new ATOM 650 N TYR A 41 -2.191 -4.457 -4.455 1.00 0.00 N ATOM 651 CA TYR A 41 -3.379 -3.638 -4.282 1.00 0.00 C ATOM 652 C TYR A 41 -4.231 -3.595 -5.537 1.00 0.00 C ATOM 653 O TYR A 41 -3.739 -3.768 -6.652 1.00 0.00 O ATOM 654 CB TYR A 41 -2.992 -2.215 -3.887 1.00 0.00 C ATOM 655 CG TYR A 41 -1.784 -1.690 -4.621 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.504 -1.934 -4.145 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.921 -0.951 -5.792 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.605 -1.457 -4.812 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.814 -0.472 -6.465 1.00 0.00 C ATOM 660 CZ TYR A 41 0.446 -0.728 -5.970 1.00 0.00 C ATOM 661 OH TYR A 41 1.553 -0.252 -6.637 1.00 0.00 O ATOM 0 H TYR A 41 -1.709 -4.331 -5.345 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.968 -4.097 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.837 -1.553 -4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.796 -2.185 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.374 -2.506 -3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.908 -0.749 -6.181 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.595 -1.654 -4.428 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.935 0.099 -7.373 1.00 0.00 H new ATOM 0 HH TYR A 41 2.359 -0.684 -6.284 1.00 0.00 H new ATOM 671 N GLU A 42 -5.512 -3.331 -5.336 1.00 0.00 N ATOM 672 CA GLU A 42 -6.460 -3.223 -6.435 1.00 0.00 C ATOM 673 C GLU A 42 -7.074 -1.831 -6.431 1.00 0.00 C ATOM 674 O GLU A 42 -7.571 -1.374 -5.407 1.00 0.00 O ATOM 675 CB GLU A 42 -7.553 -4.288 -6.309 1.00 0.00 C ATOM 676 CG GLU A 42 -7.828 -5.031 -7.606 1.00 0.00 C ATOM 677 CD GLU A 42 -9.257 -5.532 -7.697 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.744 -6.123 -6.710 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.888 -5.333 -8.756 1.00 0.00 O ATOM 0 H GLU A 42 -5.923 -3.186 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.937 -3.386 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.262 -5.006 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.474 -3.814 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.623 -4.371 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.144 -5.876 -7.689 1.00 0.00 H new ATOM 686 N VAL A 43 -7.016 -1.152 -7.567 1.00 0.00 N ATOM 687 CA VAL A 43 -7.548 0.202 -7.668 1.00 0.00 C ATOM 688 C VAL A 43 -8.902 0.232 -8.374 1.00 0.00 C ATOM 689 O VAL A 43 -9.068 -0.333 -9.455 1.00 0.00 O ATOM 690 CB VAL A 43 -6.550 1.127 -8.401 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.185 2.467 -8.748 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.301 1.325 -7.553 1.00 0.00 C ATOM 0 H VAL A 43 -6.608 -1.513 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.693 0.566 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.267 0.647 -9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.456 3.093 -9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.046 2.305 -9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.509 2.964 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.604 1.978 -8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.576 1.779 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.827 0.360 -7.372 1.00 0.00 H new ATOM 702 N ARG A 44 -9.863 0.902 -7.746 1.00 0.00 N ATOM 703 CA ARG A 44 -11.208 1.023 -8.294 1.00 0.00 C ATOM 704 C ARG A 44 -11.744 2.440 -8.103 1.00 0.00 C ATOM 705 O ARG A 44 -12.409 2.730 -7.109 1.00 0.00 O ATOM 706 CB ARG A 44 -12.146 0.024 -7.618 1.00 0.00 C ATOM 707 CG ARG A 44 -13.240 -0.503 -8.533 1.00 0.00 C ATOM 708 CD ARG A 44 -13.086 -1.994 -8.788 1.00 0.00 C ATOM 709 NE ARG A 44 -14.282 -2.572 -9.395 1.00 0.00 N ATOM 710 CZ ARG A 44 -15.381 -2.888 -8.714 1.00 0.00 C ATOM 711 NH1 ARG A 44 -15.440 -2.682 -7.404 1.00 0.00 N ATOM 712 NH2 ARG A 44 -16.425 -3.409 -9.344 1.00 0.00 N ATOM 0 H ARG A 44 -9.733 1.372 -6.850 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.160 0.807 -9.361 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.560 -0.816 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.607 0.500 -6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.215 -0.309 -8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.212 0.034 -9.481 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.230 -2.163 -9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.875 -2.503 -7.847 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.275 -2.744 -10.400 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.641 -2.280 -6.914 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.285 -2.926 -6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.386 -3.568 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.267 -3.651 -8.822 1.00 0.00 H new ATOM 726 N GLY A 45 -11.450 3.318 -9.056 1.00 0.00 N ATOM 727 CA GLY A 45 -11.912 4.691 -8.961 1.00 0.00 C ATOM 728 C GLY A 45 -11.284 5.431 -7.795 1.00 0.00 C ATOM 729 O GLY A 45 -11.972 6.140 -7.060 1.00 0.00 O ATOM 0 H GLY A 45 -10.902 3.105 -9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.680 5.215 -9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.997 4.700 -8.852 1.00 0.00 H new ATOM 733 N ALA A 46 -9.971 5.254 -7.623 1.00 0.00 N ATOM 734 CA ALA A 46 -9.225 5.897 -6.538 1.00 0.00 C ATOM 735 C ALA A 46 -9.298 5.084 -5.246 1.00 0.00 C ATOM 736 O ALA A 46 -8.533 5.325 -4.312 1.00 0.00 O ATOM 737 CB ALA A 46 -9.712 7.321 -6.301 1.00 0.00 C ATOM 0 H ALA A 46 -9.398 4.665 -8.228 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.181 5.940 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.139 7.771 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.577 7.908 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.768 7.304 -6.033 1.00 0.00 H new ATOM 743 N HIS A 47 -10.204 4.110 -5.199 1.00 0.00 N ATOM 744 CA HIS A 47 -10.347 3.260 -4.023 1.00 0.00 C ATOM 745 C HIS A 47 -9.514 1.999 -4.203 1.00 0.00 C ATOM 746 O HIS A 47 -9.609 1.332 -5.232 1.00 0.00 O ATOM 747 CB HIS A 47 -11.816 2.891 -3.806 1.00 0.00 C ATOM 748 CG HIS A 47 -12.366 3.358 -2.495 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.881 2.500 -1.546 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.482 4.603 -1.975 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.291 3.196 -0.501 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.059 4.475 -0.735 1.00 0.00 N ATOM 0 H HIS A 47 -10.847 3.891 -5.960 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.995 3.805 -3.147 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.412 3.318 -4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.923 1.808 -3.870 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.177 5.525 -2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.740 2.789 0.393 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.273 5.243 -0.099 1.00 0.00 H new ATOM 761 N ILE A 48 -8.683 1.677 -3.218 1.00 0.00 N ATOM 762 CA ILE A 48 -7.837 0.497 -3.326 1.00 0.00 C ATOM 763 C ILE A 48 -7.664 -0.211 -1.988 1.00 0.00 C ATOM 764 O ILE A 48 -7.735 0.406 -0.926 1.00 0.00 O ATOM 765 CB ILE A 48 -6.444 0.846 -3.937 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.282 0.259 -3.113 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.278 2.354 -4.084 1.00 0.00 C ATOM 768 CD1 ILE A 48 -5.020 0.985 -1.807 1.00 0.00 C ATOM 0 H ILE A 48 -8.578 2.206 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.349 -0.189 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.409 0.388 -4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.496 -0.788 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.375 0.281 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.300 2.572 -4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.056 2.743 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.359 2.826 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.188 0.510 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.773 2.026 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.911 0.941 -1.181 1.00 0.00 H new ATOM 780 N ASN A 49 -7.413 -1.513 -2.063 1.00 0.00 N ATOM 781 CA ASN A 49 -7.198 -2.329 -0.878 1.00 0.00 C ATOM 782 C ASN A 49 -5.963 -3.204 -1.065 1.00 0.00 C ATOM 783 O ASN A 49 -5.627 -3.587 -2.185 1.00 0.00 O ATOM 784 CB ASN A 49 -8.420 -3.206 -0.581 1.00 0.00 C ATOM 785 CG ASN A 49 -9.709 -2.634 -1.144 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.583 -2.192 -0.397 1.00 0.00 O ATOM 787 ND2 ASN A 49 -9.833 -2.641 -2.466 1.00 0.00 N ATOM 0 H ASN A 49 -7.353 -2.028 -2.941 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.044 -1.662 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.257 -4.200 -0.997 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.522 -3.325 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.678 -2.270 -2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.083 -3.017 -3.047 1.00 0.00 H new ATOM 794 N TYR A 50 -5.294 -3.512 0.035 1.00 0.00 N ATOM 795 CA TYR A 50 -4.097 -4.335 0.006 1.00 0.00 C ATOM 796 C TYR A 50 -4.434 -5.763 0.397 1.00 0.00 C ATOM 797 O TYR A 50 -4.851 -6.014 1.523 1.00 0.00 O ATOM 798 CB TYR A 50 -3.065 -3.785 0.994 1.00 0.00 C ATOM 799 CG TYR A 50 -2.447 -2.466 0.586 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.734 -2.343 -0.599 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.574 -1.342 1.394 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.167 -1.137 -0.966 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.010 -0.134 1.032 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.308 -0.037 -0.148 1.00 0.00 C ATOM 805 OH TYR A 50 -0.745 1.165 -0.512 1.00 0.00 O ATOM 0 H TYR A 50 -5.564 -3.200 0.968 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.690 -4.319 -1.005 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.541 -3.663 1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.271 -4.521 1.118 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.621 -3.202 -1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.123 -1.414 2.321 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.615 -1.057 -1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.119 0.730 1.671 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.938 1.838 0.174 1.00 0.00 H new ATOM 815 N TRP A 51 -4.246 -6.699 -0.521 1.00 0.00 N ATOM 816 CA TRP A 51 -4.527 -8.096 -0.231 1.00 0.00 C ATOM 817 C TRP A 51 -3.223 -8.880 -0.132 1.00 0.00 C ATOM 818 O TRP A 51 -2.716 -9.396 -1.127 1.00 0.00 O ATOM 819 CB TRP A 51 -5.441 -8.700 -1.301 1.00 0.00 C ATOM 820 CG TRP A 51 -5.635 -10.180 -1.158 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.252 -10.830 -0.129 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.210 -11.194 -2.076 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.236 -12.186 -0.348 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.602 -12.435 -1.537 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.537 -11.174 -3.301 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.343 -13.642 -2.182 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.279 -12.373 -3.939 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.682 -13.592 -3.379 1.00 0.00 C ATOM 0 H TRP A 51 -3.903 -6.519 -1.465 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.046 -8.156 0.726 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.413 -8.209 -1.257 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.022 -8.490 -2.285 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.690 -10.348 0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.631 -12.892 0.273 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.224 -10.239 -3.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.653 -14.583 -1.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.758 -12.370 -4.885 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.467 -14.512 -3.903 1.00 0.00 H new ATOM 839 N ASP A 52 -2.679 -8.947 1.079 1.00 0.00 N ATOM 840 CA ASP A 52 -1.421 -9.651 1.313 1.00 0.00 C ATOM 841 C ASP A 52 -1.564 -11.149 1.092 1.00 0.00 C ATOM 842 O ASP A 52 -2.664 -11.699 1.149 1.00 0.00 O ATOM 843 CB ASP A 52 -0.918 -9.394 2.733 1.00 0.00 C ATOM 844 CG ASP A 52 -0.152 -8.091 2.850 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.786 -7.019 2.763 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.084 -8.143 3.022 1.00 0.00 O ATOM 0 H ASP A 52 -3.088 -8.524 1.912 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.699 -9.265 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.766 -9.376 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.276 -10.219 3.042 1.00 0.00 H new ATOM 851 N ASP A 53 -0.434 -11.802 0.849 1.00 0.00 N ATOM 852 CA ASP A 53 -0.411 -13.241 0.628 1.00 0.00 C ATOM 853 C ASP A 53 -0.344 -13.998 1.954 1.00 0.00 C ATOM 854 O ASP A 53 -0.542 -15.212 1.991 1.00 0.00 O ATOM 855 CB ASP A 53 0.782 -13.623 -0.251 1.00 0.00 C ATOM 856 CG ASP A 53 2.097 -13.117 0.308 1.00 0.00 C ATOM 857 OD1 ASP A 53 2.491 -13.570 1.403 1.00 0.00 O ATOM 858 OD2 ASP A 53 2.734 -12.267 -0.350 1.00 0.00 O ATOM 0 H ASP A 53 0.481 -11.355 0.800 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.334 -13.519 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.825 -14.708 -0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.636 -13.218 -1.253 1.00 0.00 H new ATOM 863 N THR A 54 -0.056 -13.281 3.042 1.00 0.00 N ATOM 864 CA THR A 54 0.040 -13.903 4.358 1.00 0.00 C ATOM 865 C THR A 54 -1.299 -13.886 5.093 1.00 0.00 C ATOM 866 O THR A 54 -1.347 -13.953 6.321 1.00 0.00 O ATOM 867 CB THR A 54 1.115 -13.215 5.202 1.00 0.00 C ATOM 868 OG1 THR A 54 1.321 -13.913 6.417 1.00 0.00 O ATOM 869 CG2 THR A 54 0.781 -11.781 5.549 1.00 0.00 C ATOM 0 H THR A 54 0.113 -12.275 3.035 1.00 0.00 H new ATOM 0 HA THR A 54 0.322 -14.945 4.205 1.00 0.00 H new ATOM 0 HB THR A 54 2.013 -13.221 4.584 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.455 -14.151 6.808 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.586 -11.355 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.665 -11.202 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.149 -11.751 6.117 1.00 0.00 H new ATOM 877 N GLY A 55 -2.382 -13.826 4.330 1.00 0.00 N ATOM 878 CA GLY A 55 -3.711 -13.838 4.915 1.00 0.00 C ATOM 879 C GLY A 55 -4.153 -12.509 5.505 1.00 0.00 C ATOM 880 O GLY A 55 -5.000 -12.487 6.397 1.00 0.00 O ATOM 0 H GLY A 55 -2.365 -13.769 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.428 -14.138 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.743 -14.597 5.697 1.00 0.00 H new ATOM 884 N PHE A 56 -3.611 -11.396 5.012 1.00 0.00 N ATOM 885 CA PHE A 56 -4.001 -10.091 5.513 1.00 0.00 C ATOM 886 C PHE A 56 -4.587 -9.258 4.389 1.00 0.00 C ATOM 887 O PHE A 56 -4.384 -9.549 3.210 1.00 0.00 O ATOM 888 CB PHE A 56 -2.796 -9.372 6.147 1.00 0.00 C ATOM 889 CG PHE A 56 -2.780 -7.871 5.963 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.690 -7.308 4.697 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.864 -7.027 7.059 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.685 -5.933 4.528 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.858 -5.653 6.897 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.769 -5.107 5.631 1.00 0.00 C ATOM 0 H PHE A 56 -2.908 -11.377 4.273 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.760 -10.225 6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.780 -9.593 7.214 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.881 -9.785 5.723 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.623 -7.951 3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.935 -7.447 8.052 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.616 -5.509 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.923 -5.007 7.760 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.765 -4.034 5.504 1.00 0.00 H new ATOM 904 N THR A 57 -5.284 -8.201 4.764 1.00 0.00 N ATOM 905 CA THR A 57 -5.868 -7.295 3.788 1.00 0.00 C ATOM 906 C THR A 57 -6.186 -5.948 4.421 1.00 0.00 C ATOM 907 O THR A 57 -6.611 -5.875 5.574 1.00 0.00 O ATOM 908 CB THR A 57 -7.122 -7.885 3.131 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.284 -7.166 3.510 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.370 -9.345 3.451 1.00 0.00 C ATOM 0 H THR A 57 -5.460 -7.948 5.736 1.00 0.00 H new ATOM 0 HA THR A 57 -5.125 -7.149 3.004 1.00 0.00 H new ATOM 0 HB THR A 57 -6.927 -7.800 2.062 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.069 -7.561 3.077 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.276 -9.679 2.946 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.523 -9.941 3.110 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.489 -9.466 4.528 1.00 0.00 H new ATOM 918 N ALA A 58 -5.975 -4.884 3.656 1.00 0.00 N ATOM 919 CA ALA A 58 -6.241 -3.533 4.150 1.00 0.00 C ATOM 920 C ALA A 58 -6.819 -2.639 3.057 1.00 0.00 C ATOM 921 O ALA A 58 -6.199 -2.438 2.018 1.00 0.00 O ATOM 922 CB ALA A 58 -4.968 -2.921 4.714 1.00 0.00 C ATOM 0 H ALA A 58 -5.624 -4.926 2.699 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.984 -3.608 4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.178 -1.916 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.602 -3.536 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.210 -2.872 3.932 1.00 0.00 H new ATOM 928 N ASP A 59 -8.009 -2.100 3.300 1.00 0.00 N ATOM 929 CA ASP A 59 -8.662 -1.229 2.328 1.00 0.00 C ATOM 930 C ASP A 59 -8.285 0.233 2.549 1.00 0.00 C ATOM 931 O ASP A 59 -7.973 0.645 3.666 1.00 0.00 O ATOM 932 CB ASP A 59 -10.181 -1.393 2.407 1.00 0.00 C ATOM 933 CG ASP A 59 -10.715 -1.160 3.806 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.163 -0.295 4.517 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.687 -1.843 4.192 1.00 0.00 O ATOM 0 H ASP A 59 -8.540 -2.250 4.158 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.319 -1.521 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.656 -0.694 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.453 -2.396 2.080 1.00 0.00 H new ATOM 940 N GLY A 60 -8.320 1.012 1.471 1.00 0.00 N ATOM 941 CA GLY A 60 -7.985 2.421 1.556 1.00 0.00 C ATOM 942 C GLY A 60 -8.720 3.247 0.517 1.00 0.00 C ATOM 943 O GLY A 60 -9.700 2.786 -0.068 1.00 0.00 O ATOM 0 H GLY A 60 -8.575 0.690 0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.229 2.792 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.910 2.546 1.424 1.00 0.00 H new ATOM 947 N ASP A 61 -8.250 4.468 0.286 1.00 0.00 N ATOM 948 CA ASP A 61 -8.875 5.350 -0.690 1.00 0.00 C ATOM 949 C ASP A 61 -7.993 6.560 -0.982 1.00 0.00 C ATOM 950 O ASP A 61 -7.490 7.208 -0.066 1.00 0.00 O ATOM 951 CB ASP A 61 -10.243 5.813 -0.186 1.00 0.00 C ATOM 952 CG ASP A 61 -10.150 6.564 1.128 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.079 5.902 2.186 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.149 7.811 1.101 1.00 0.00 O ATOM 0 H ASP A 61 -7.440 4.868 0.760 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.004 4.789 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.706 6.454 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.894 4.947 -0.062 1.00 0.00 H new ATOM 959 N PHE A 62 -7.817 6.862 -2.263 1.00 0.00 N ATOM 960 CA PHE A 62 -7.003 7.999 -2.672 1.00 0.00 C ATOM 961 C PHE A 62 -7.766 9.301 -2.489 1.00 0.00 C ATOM 962 O PHE A 62 -8.722 9.583 -3.212 1.00 0.00 O ATOM 963 CB PHE A 62 -6.571 7.864 -4.133 1.00 0.00 C ATOM 964 CG PHE A 62 -5.666 6.693 -4.419 1.00 0.00 C ATOM 965 CD1 PHE A 62 -5.316 5.786 -3.427 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.160 6.503 -5.696 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.483 4.720 -3.705 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.326 5.441 -5.978 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.987 4.548 -4.983 1.00 0.00 C ATOM 0 H PHE A 62 -8.227 6.336 -3.035 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.115 8.013 -2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.462 7.776 -4.754 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.062 8.780 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.700 5.916 -2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.423 7.197 -6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.220 4.022 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.939 5.309 -6.977 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.335 3.716 -5.203 1.00 0.00 H new ATOM 979 N VAL A 63 -7.332 10.092 -1.522 1.00 0.00 N ATOM 980 CA VAL A 63 -7.969 11.376 -1.239 1.00 0.00 C ATOM 981 C VAL A 63 -7.418 12.483 -2.135 1.00 0.00 C ATOM 982 O VAL A 63 -7.966 13.584 -2.178 1.00 0.00 O ATOM 983 CB VAL A 63 -7.789 11.794 0.233 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.790 11.069 1.121 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.363 11.538 0.700 1.00 0.00 C ATOM 0 H VAL A 63 -6.541 9.871 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.031 11.240 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.979 12.865 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.647 11.377 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.803 11.317 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.637 9.993 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.261 11.841 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.135 10.476 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.670 12.113 0.086 1.00 0.00 H new ATOM 995 N SER A 64 -6.332 12.190 -2.849 1.00 0.00 N ATOM 996 CA SER A 64 -5.721 13.172 -3.736 1.00 0.00 C ATOM 997 C SER A 64 -4.831 12.491 -4.769 1.00 0.00 C ATOM 998 O SER A 64 -4.757 11.263 -4.828 1.00 0.00 O ATOM 999 CB SER A 64 -4.905 14.183 -2.928 1.00 0.00 C ATOM 1000 OG SER A 64 -4.862 15.440 -3.579 1.00 0.00 O ATOM 0 H SER A 64 -5.861 11.285 -2.829 1.00 0.00 H new ATOM 0 HA SER A 64 -6.519 13.698 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.342 14.298 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.891 13.808 -2.788 1.00 0.00 H new ATOM 0 HG SER A 64 -4.336 16.069 -3.042 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.157 13.297 -5.582 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.271 12.773 -6.613 1.00 0.00 C ATOM 1008 C ALA A 65 -1.997 12.203 -6.002 1.00 0.00 C ATOM 1009 O ALA A 65 -1.440 11.226 -6.505 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.935 13.862 -7.622 1.00 0.00 C ATOM 0 H ALA A 65 -4.208 14.315 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.789 11.964 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.272 13.457 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.852 14.221 -8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.440 14.689 -7.113 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.535 12.818 -4.918 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.322 12.370 -4.243 1.00 0.00 C ATOM 1018 C ASN A 66 -0.597 11.986 -2.789 1.00 0.00 C ATOM 1019 O ASN A 66 0.327 11.654 -2.047 1.00 0.00 O ATOM 1020 CB ASN A 66 0.748 13.464 -4.293 1.00 0.00 C ATOM 1021 CG ASN A 66 1.751 13.265 -5.420 1.00 0.00 C ATOM 1022 OD1 ASN A 66 2.908 13.669 -5.307 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.320 12.642 -6.515 1.00 0.00 N ATOM 0 H ASN A 66 -1.982 13.628 -4.488 1.00 0.00 H new ATOM 0 HA ASN A 66 0.037 11.484 -4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.263 14.433 -4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.279 13.488 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.956 12.486 -7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.353 12.321 -6.572 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.864 12.027 -2.382 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.231 11.675 -1.016 1.00 0.00 C ATOM 1032 C GLU A 67 -2.924 10.317 -0.985 1.00 0.00 C ATOM 1033 O GLU A 67 -3.644 9.953 -1.914 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.138 12.747 -0.410 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.792 13.094 1.029 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.419 14.397 1.481 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -3.393 15.371 0.699 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -3.935 14.445 2.617 1.00 0.00 O ATOM 0 H GLU A 67 -2.648 12.299 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.320 11.616 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.076 13.650 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.172 12.404 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.125 12.288 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.709 13.161 1.132 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.685 9.566 0.082 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.267 8.239 0.232 1.00 0.00 C ATOM 1047 C LEU A 68 -3.886 8.077 1.615 1.00 0.00 C ATOM 1048 O LEU A 68 -3.359 8.586 2.604 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.173 7.184 -0.026 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.362 5.783 0.591 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.511 5.823 2.105 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.547 5.080 -0.044 1.00 0.00 C ATOM 0 H LEU A 68 -2.090 9.855 0.859 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.068 8.102 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.072 7.064 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.228 7.586 0.340 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.454 5.218 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.641 4.810 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.618 6.264 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.381 6.424 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.666 4.093 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.451 5.666 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.377 4.975 -1.115 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.999 7.358 1.679 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.678 7.117 2.946 1.00 0.00 C ATOM 1066 C HIS A 69 -5.897 5.627 3.170 1.00 0.00 C ATOM 1067 O HIS A 69 -6.712 5.001 2.493 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.018 7.848 2.992 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.951 9.186 3.660 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -8.063 9.838 4.153 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -5.897 9.996 3.920 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.695 10.991 4.684 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.387 11.110 4.556 1.00 0.00 N ATOM 0 H HIS A 69 -5.451 6.932 0.870 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.040 7.502 3.741 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.386 7.978 1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.743 7.226 3.516 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.864 9.802 3.673 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.353 11.713 5.144 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.830 11.902 4.878 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.173 5.064 4.130 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.301 3.646 4.445 1.00 0.00 C ATOM 1084 C HIS A 70 -5.225 3.421 5.951 1.00 0.00 C ATOM 1085 O HIS A 70 -4.374 3.993 6.631 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.227 2.828 3.703 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.009 2.493 4.517 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.056 1.749 5.678 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -1.703 2.787 4.316 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.834 1.600 6.154 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -0.995 2.220 5.347 1.00 0.00 N ATOM 0 H HIS A 70 -4.493 5.565 4.702 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.278 3.302 4.105 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.677 1.900 3.352 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.914 3.385 2.820 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.294 3.361 3.497 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.567 1.062 7.051 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.016 2.270 5.469 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.127 2.590 6.466 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.147 2.315 7.891 1.00 0.00 C ATOM 1102 C GLY A 71 -6.220 3.582 8.720 1.00 0.00 C ATOM 1103 O GLY A 71 -5.826 3.594 9.886 1.00 0.00 O ATOM 0 H GLY A 71 -6.842 2.104 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.002 1.681 8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.252 1.756 8.164 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.722 4.653 8.111 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.835 5.918 8.808 1.00 0.00 C ATOM 1109 C GLY A 72 -5.538 6.704 8.808 1.00 0.00 C ATOM 1110 O GLY A 72 -5.357 7.609 9.623 1.00 0.00 O ATOM 0 H GLY A 72 -7.052 4.665 7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.618 6.516 8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.144 5.735 9.837 1.00 0.00 H new ATOM 1114 N MET A 73 -4.628 6.363 7.897 1.00 0.00 N ATOM 1115 CA MET A 73 -3.348 7.049 7.812 1.00 0.00 C ATOM 1116 C MET A 73 -3.275 7.917 6.562 1.00 0.00 C ATOM 1117 O MET A 73 -4.058 7.749 5.630 1.00 0.00 O ATOM 1118 CB MET A 73 -2.210 6.029 7.796 1.00 0.00 C ATOM 1119 CG MET A 73 -1.575 5.807 9.158 1.00 0.00 C ATOM 1120 SD MET A 73 -2.586 4.772 10.235 1.00 0.00 S ATOM 1121 CE MET A 73 -1.320 3.891 11.145 1.00 0.00 C ATOM 0 H MET A 73 -4.756 5.618 7.212 1.00 0.00 H new ATOM 0 HA MET A 73 -3.249 7.693 8.686 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.590 5.078 7.422 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.443 6.363 7.097 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.597 5.343 9.028 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.409 6.771 9.639 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.789 3.209 11.854 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.701 3.323 10.450 1.00 0.00 H new ATOM 0 HE3 MET A 73 -0.697 4.604 11.685 1.00 0.00 H new ATOM 1131 N THR A 74 -2.317 8.835 6.546 1.00 0.00 N ATOM 1132 CA THR A 74 -2.124 9.720 5.405 1.00 0.00 C ATOM 1133 C THR A 74 -0.755 9.477 4.785 1.00 0.00 C ATOM 1134 O THR A 74 0.272 9.831 5.363 1.00 0.00 O ATOM 1135 CB THR A 74 -2.258 11.184 5.823 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.317 11.346 6.750 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.521 12.114 4.657 1.00 0.00 C ATOM 0 H THR A 74 -1.661 8.986 7.312 1.00 0.00 H new ATOM 0 HA THR A 74 -2.896 9.503 4.667 1.00 0.00 H new ATOM 0 HB THR A 74 -1.300 11.448 6.270 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.386 12.289 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.606 13.138 5.020 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.697 12.048 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.449 11.826 4.164 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.748 8.854 3.615 1.00 0.00 N ATOM 1146 CA PHE A 75 0.494 8.540 2.924 1.00 0.00 C ATOM 1147 C PHE A 75 0.675 9.406 1.684 1.00 0.00 C ATOM 1148 O PHE A 75 -0.149 9.386 0.770 1.00 0.00 O ATOM 1149 CB PHE A 75 0.499 7.061 2.543 1.00 0.00 C ATOM 1150 CG PHE A 75 0.920 6.158 3.660 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.259 5.912 3.903 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.030 5.556 4.471 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.647 5.084 4.935 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.353 4.726 5.506 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.693 4.490 5.739 1.00 0.00 C ATOM 0 H PHE A 75 -1.591 8.556 3.124 1.00 0.00 H new ATOM 0 HA PHE A 75 1.327 8.750 3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.500 6.776 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.169 6.914 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.009 6.373 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.079 5.738 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.696 4.900 5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.395 4.262 6.132 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.995 3.842 6.548 1.00 0.00 H new ATOM 1165 N TYR A 76 1.768 10.160 1.653 1.00 0.00 N ATOM 1166 CA TYR A 76 2.067 11.021 0.518 1.00 0.00 C ATOM 1167 C TYR A 76 3.115 10.367 -0.368 1.00 0.00 C ATOM 1168 O TYR A 76 4.038 9.718 0.125 1.00 0.00 O ATOM 1169 CB TYR A 76 2.558 12.389 0.992 1.00 0.00 C ATOM 1170 CG TYR A 76 1.767 12.943 2.151 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.016 12.521 3.450 1.00 0.00 C ATOM 1172 CD2 TYR A 76 0.766 13.884 1.947 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.290 13.023 4.514 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.037 14.391 3.005 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.302 13.957 4.286 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.422 14.459 5.343 1.00 0.00 O ATOM 0 H TYR A 76 2.461 10.192 2.401 1.00 0.00 H new ATOM 0 HA TYR A 76 1.153 11.165 -0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.606 12.310 1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.510 13.092 0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.789 11.789 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.554 14.225 0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.496 12.685 5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.737 15.124 2.829 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.078 15.107 5.012 1.00 0.00 H new ATOM 1186 N ARG A 77 2.963 10.522 -1.676 1.00 0.00 N ATOM 1187 CA ARG A 77 3.900 9.921 -2.612 1.00 0.00 C ATOM 1188 C ARG A 77 5.251 10.618 -2.582 1.00 0.00 C ATOM 1189 O ARG A 77 5.328 11.835 -2.459 1.00 0.00 O ATOM 1190 CB ARG A 77 3.348 9.945 -4.033 1.00 0.00 C ATOM 1191 CG ARG A 77 4.037 8.949 -4.948 1.00 0.00 C ATOM 1192 CD ARG A 77 4.077 9.439 -6.383 1.00 0.00 C ATOM 1193 NE ARG A 77 3.948 8.343 -7.341 1.00 0.00 N ATOM 1194 CZ ARG A 77 4.304 8.430 -8.620 1.00 0.00 C ATOM 1195 NH1 ARG A 77 4.810 9.560 -9.101 1.00 0.00 N ATOM 1196 NH2 ARG A 77 4.155 7.385 -9.422 1.00 0.00 N ATOM 0 H ARG A 77 2.208 11.053 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 77 4.037 8.886 -2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.280 9.729 -4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.460 10.948 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.053 8.773 -4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.515 7.993 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.272 10.157 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.014 9.966 -6.560 1.00 0.00 H new ATOM 0 HE ARG A 77 3.562 7.459 -7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.928 10.367 -8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.081 9.620 -10.082 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.767 6.514 -9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.428 7.452 -10.403 1.00 0.00 H new ATOM 1210 N GLU A 78 6.299 9.807 -2.719 1.00 0.00 N ATOM 1211 CA GLU A 78 7.701 10.246 -2.735 1.00 0.00 C ATOM 1212 C GLU A 78 7.986 11.399 -1.766 1.00 0.00 C ATOM 1213 O GLU A 78 8.863 11.290 -0.909 1.00 0.00 O ATOM 1214 CB GLU A 78 8.125 10.579 -4.180 1.00 0.00 C ATOM 1215 CG GLU A 78 8.626 12.002 -4.419 1.00 0.00 C ATOM 1216 CD GLU A 78 7.506 12.971 -4.746 1.00 0.00 C ATOM 1217 OE1 GLU A 78 6.579 12.581 -5.484 1.00 0.00 O ATOM 1218 OE2 GLU A 78 7.558 14.122 -4.263 1.00 0.00 O ATOM 0 H GLU A 78 6.198 8.798 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 78 8.311 9.419 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.910 9.884 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.275 10.399 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.154 12.350 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.346 11.996 -5.237 1.00 0.00 H new ATOM 1225 N LYS A 79 7.256 12.496 -1.906 1.00 0.00 N ATOM 1226 CA LYS A 79 7.440 13.662 -1.045 1.00 0.00 C ATOM 1227 C LYS A 79 8.775 14.340 -1.331 1.00 0.00 C ATOM 1228 O LYS A 79 8.881 15.562 -1.090 1.00 0.00 O ATOM 1229 CB LYS A 79 7.365 13.265 0.434 1.00 0.00 C ATOM 1230 CG LYS A 79 6.106 12.497 0.802 1.00 0.00 C ATOM 1231 CD LYS A 79 5.843 12.552 2.298 1.00 0.00 C ATOM 1232 CE LYS A 79 5.397 13.939 2.734 1.00 0.00 C ATOM 1233 NZ LYS A 79 4.970 13.965 4.159 1.00 0.00 N ATOM 1234 OXT LYS A 79 9.705 13.646 -1.793 1.00 0.00 O ATOM 0 H LYS A 79 6.527 12.606 -2.610 1.00 0.00 H new ATOM 0 HA LYS A 79 6.635 14.365 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.235 12.657 0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.421 14.166 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.254 12.913 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.205 11.459 0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.077 11.823 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.748 12.273 2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.214 14.645 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.573 14.270 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.016 14.940 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.994 13.614 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.601 13.359 4.722 1.00 0.00 H new TER 1248 LYS A 79