USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 990 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 46 THR OG1 : rot 180:sc= -0.116 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.487 K(o=-0.78,f=-3.9!) USER MOD Set 1.3: A 96 TYR OH : rot 51:sc= -0.173 USER MOD Set 2.1: A 43 HIS : no HE2:sc= -4.44 X(o=-6.6,f=-7) USER MOD Set 2.2: A 45 GLN :FLIP amide:sc= -2.17! C(o=-7!,f=-6.6!) USER MOD Set 3.1: A 16 ASN : amide:sc= -1.71 K(o=-1.8,f=-13!) USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= -0.0737 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 1.09 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0225) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.163 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -1.57 (180deg=-3.29!) USER MOD Single : A 38 GLN : amide:sc= -7.16! C(o=-7.2!,f=-8.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.81 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0973 F(o=-1.4,f=-0.097) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -47:sc= 0.302 USER MOD Single : A 80 MET CE :methyl -105:sc= -2.08 (180deg=-3.44!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0918 USER MOD Single : A 87 MET CE :methyl -163:sc= -0.0166 (180deg=-0.281) USER MOD Single : A 89 THR OG1 : rot 50:sc= 0.478 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 170:sc= -0.455 USER MOD Single : A 99 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.4!) USER MOD Single : A 101 SER OG : rot 159:sc= 0.696 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.892 F(o=-2.3!,f=-0.89) USER MOD Single : A 113 CYS SG : rot 3:sc= -0.271 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 119 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.432) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 38:sc= 1.16 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.903 -27.760 -10.201 1.00 0.00 N ATOM 2 CA GLY A 1 -5.793 -26.902 -10.571 1.00 0.00 C ATOM 3 C GLY A 1 -4.448 -27.562 -10.340 1.00 0.00 C ATOM 4 O GLY A 1 -4.246 -28.719 -10.708 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.800 -27.263 -10.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.872 -28.631 -10.768 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.834 -28.001 -9.192 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.884 -26.628 -11.622 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.844 -25.978 -9.995 1.00 0.00 H new ATOM 8 N SER A 2 -3.526 -26.825 -9.730 1.00 0.00 N ATOM 9 CA SER A 2 -2.191 -27.344 -9.455 1.00 0.00 C ATOM 10 C SER A 2 -1.794 -27.081 -8.006 1.00 0.00 C ATOM 11 O SER A 2 -1.243 -27.953 -7.333 1.00 0.00 O ATOM 12 CB SER A 2 -1.169 -26.708 -10.399 1.00 0.00 C ATOM 13 OG SER A 2 -1.332 -27.186 -11.724 1.00 0.00 O ATOM 0 H SER A 2 -3.679 -25.866 -9.417 1.00 0.00 H new ATOM 0 HA SER A 2 -2.206 -28.421 -9.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.281 -25.624 -10.384 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.160 -26.930 -10.051 1.00 0.00 H new ATOM 0 HG SER A 2 -0.668 -26.763 -12.308 1.00 0.00 H new ATOM 19 N SER A 3 -2.078 -25.872 -7.531 1.00 0.00 N ATOM 20 CA SER A 3 -1.747 -25.491 -6.163 1.00 0.00 C ATOM 21 C SER A 3 -3.012 -25.219 -5.354 1.00 0.00 C ATOM 22 O SER A 3 -3.991 -24.685 -5.873 1.00 0.00 O ATOM 23 CB SER A 3 -0.848 -24.253 -6.159 1.00 0.00 C ATOM 24 OG SER A 3 -1.604 -23.074 -6.373 1.00 0.00 O ATOM 0 H SER A 3 -2.536 -25.140 -8.073 1.00 0.00 H new ATOM 0 HA SER A 3 -1.212 -26.320 -5.700 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.323 -24.184 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.089 -24.348 -6.935 1.00 0.00 H new ATOM 0 HG SER A 3 -1.007 -22.297 -6.364 1.00 0.00 H new ATOM 30 N GLY A 4 -2.982 -25.589 -4.078 1.00 0.00 N ATOM 31 CA GLY A 4 -4.131 -25.377 -3.217 1.00 0.00 C ATOM 32 C GLY A 4 -3.740 -25.186 -1.765 1.00 0.00 C ATOM 33 O GLY A 4 -2.865 -25.884 -1.253 1.00 0.00 O ATOM 0 H GLY A 4 -2.183 -26.032 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.681 -24.501 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.805 -26.230 -3.299 1.00 0.00 H new ATOM 37 N SER A 5 -4.388 -24.235 -1.099 1.00 0.00 N ATOM 38 CA SER A 5 -4.099 -23.950 0.301 1.00 0.00 C ATOM 39 C SER A 5 -5.207 -23.104 0.923 1.00 0.00 C ATOM 40 O SER A 5 -5.989 -22.469 0.216 1.00 0.00 O ATOM 41 CB SER A 5 -2.757 -23.228 0.430 1.00 0.00 C ATOM 42 OG SER A 5 -1.686 -24.153 0.508 1.00 0.00 O ATOM 0 H SER A 5 -5.117 -23.649 -1.507 1.00 0.00 H new ATOM 0 HA SER A 5 -4.046 -24.898 0.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.611 -22.569 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.763 -22.598 1.320 1.00 0.00 H new ATOM 0 HG SER A 5 -1.867 -24.914 -0.083 1.00 0.00 H new ATOM 48 N SER A 6 -5.266 -23.101 2.251 1.00 0.00 N ATOM 49 CA SER A 6 -6.279 -22.336 2.969 1.00 0.00 C ATOM 50 C SER A 6 -5.641 -21.478 4.057 1.00 0.00 C ATOM 51 O SER A 6 -4.756 -21.930 4.781 1.00 0.00 O ATOM 52 CB SER A 6 -7.314 -23.277 3.587 1.00 0.00 C ATOM 53 OG SER A 6 -6.757 -24.014 4.662 1.00 0.00 O ATOM 0 H SER A 6 -4.625 -23.619 2.851 1.00 0.00 H new ATOM 0 HA SER A 6 -6.776 -21.678 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.168 -22.700 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.686 -23.963 2.826 1.00 0.00 H new ATOM 0 HG SER A 6 -7.440 -24.607 5.041 1.00 0.00 H new ATOM 59 N GLY A 7 -6.099 -20.234 4.165 1.00 0.00 N ATOM 60 CA GLY A 7 -5.563 -19.330 5.166 1.00 0.00 C ATOM 61 C GLY A 7 -6.604 -18.359 5.686 1.00 0.00 C ATOM 62 O GLY A 7 -7.046 -17.467 4.962 1.00 0.00 O ATOM 0 H GLY A 7 -6.832 -19.836 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.163 -19.910 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.731 -18.771 4.738 1.00 0.00 H new ATOM 66 N GLU A 8 -6.996 -18.532 6.945 1.00 0.00 N ATOM 67 CA GLU A 8 -7.993 -17.664 7.559 1.00 0.00 C ATOM 68 C GLU A 8 -7.327 -16.588 8.412 1.00 0.00 C ATOM 69 O GLU A 8 -7.696 -16.381 9.567 1.00 0.00 O ATOM 70 CB GLU A 8 -8.958 -18.485 8.418 1.00 0.00 C ATOM 71 CG GLU A 8 -10.251 -17.759 8.745 1.00 0.00 C ATOM 72 CD GLU A 8 -11.237 -17.775 7.593 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.021 -17.026 6.617 1.00 0.00 O ATOM 74 OE2 GLU A 8 -12.224 -18.536 7.667 1.00 0.00 O ATOM 0 H GLU A 8 -6.638 -19.264 7.558 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.553 -17.177 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.194 -19.413 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.460 -18.759 9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.711 -18.220 9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.026 -16.726 9.011 1.00 0.00 H new ATOM 81 N GLU A 9 -6.343 -15.908 7.833 1.00 0.00 N ATOM 82 CA GLU A 9 -5.624 -14.854 8.540 1.00 0.00 C ATOM 83 C GLU A 9 -5.675 -13.543 7.761 1.00 0.00 C ATOM 84 O GLU A 9 -5.919 -12.480 8.331 1.00 0.00 O ATOM 85 CB GLU A 9 -4.168 -15.266 8.772 1.00 0.00 C ATOM 86 CG GLU A 9 -4.019 -16.562 9.552 1.00 0.00 C ATOM 87 CD GLU A 9 -2.649 -17.189 9.385 1.00 0.00 C ATOM 88 OE1 GLU A 9 -2.446 -17.915 8.389 1.00 0.00 O ATOM 89 OE2 GLU A 9 -1.779 -16.953 10.249 1.00 0.00 O ATOM 0 H GLU A 9 -6.025 -16.068 6.877 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.109 -14.703 9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.671 -15.373 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.654 -14.468 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.199 -16.368 10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.781 -17.269 9.223 1.00 0.00 H new ATOM 96 N TRP A 10 -5.441 -13.628 6.457 1.00 0.00 N ATOM 97 CA TRP A 10 -5.460 -12.448 5.599 1.00 0.00 C ATOM 98 C TRP A 10 -6.518 -12.584 4.509 1.00 0.00 C ATOM 99 O TRP A 10 -7.145 -13.635 4.367 1.00 0.00 O ATOM 100 CB TRP A 10 -4.084 -12.230 4.967 1.00 0.00 C ATOM 101 CG TRP A 10 -3.050 -11.760 5.944 1.00 0.00 C ATOM 102 CD1 TRP A 10 -2.706 -12.355 7.124 1.00 0.00 C ATOM 103 CD2 TRP A 10 -2.226 -10.594 5.826 1.00 0.00 C ATOM 104 NE1 TRP A 10 -1.719 -11.630 7.747 1.00 0.00 N ATOM 105 CE2 TRP A 10 -1.406 -10.546 6.970 1.00 0.00 C ATOM 106 CE3 TRP A 10 -2.100 -9.589 4.864 1.00 0.00 C ATOM 107 CZ2 TRP A 10 -0.476 -9.530 7.176 1.00 0.00 C ATOM 108 CZ3 TRP A 10 -1.177 -8.582 5.070 1.00 0.00 C ATOM 109 CH2 TRP A 10 -0.374 -8.559 6.218 1.00 0.00 C ATOM 0 H TRP A 10 -5.236 -14.501 5.970 1.00 0.00 H new ATOM 0 HA TRP A 10 -5.710 -11.585 6.216 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.748 -13.163 4.514 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.173 -11.499 4.163 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -3.145 -13.263 7.511 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -1.289 -11.861 8.643 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -2.713 -9.599 3.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.143 -9.510 8.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.073 -7.799 4.334 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.339 -7.759 6.349 1.00 0.00 H new ATOM 120 N LEU A 11 -6.712 -11.517 3.743 1.00 0.00 N ATOM 121 CA LEU A 11 -7.695 -11.517 2.665 1.00 0.00 C ATOM 122 C LEU A 11 -7.013 -11.646 1.306 1.00 0.00 C ATOM 123 O LEU A 11 -6.122 -10.864 0.971 1.00 0.00 O ATOM 124 CB LEU A 11 -8.531 -10.237 2.710 1.00 0.00 C ATOM 125 CG LEU A 11 -9.318 -9.905 1.442 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.596 -9.156 1.788 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.464 -9.091 0.481 1.00 0.00 C ATOM 0 H LEU A 11 -6.202 -10.640 3.848 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.351 -12.376 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.234 -10.315 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.867 -9.401 2.931 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.590 -10.840 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.143 -8.928 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.216 -9.775 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.346 -8.228 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.041 -8.864 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.161 -8.161 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.578 -9.664 0.207 1.00 0.00 H new ATOM 139 N ASP A 12 -7.438 -12.635 0.528 1.00 0.00 N ATOM 140 CA ASP A 12 -6.871 -12.864 -0.796 1.00 0.00 C ATOM 141 C ASP A 12 -7.506 -11.936 -1.827 1.00 0.00 C ATOM 142 O ASP A 12 -8.640 -12.152 -2.255 1.00 0.00 O ATOM 143 CB ASP A 12 -7.068 -14.322 -1.213 1.00 0.00 C ATOM 144 CG ASP A 12 -8.423 -14.863 -0.802 1.00 0.00 C ATOM 145 OD1 ASP A 12 -8.623 -15.110 0.406 1.00 0.00 O ATOM 146 OD2 ASP A 12 -9.285 -15.040 -1.688 1.00 0.00 O ATOM 0 H ASP A 12 -8.173 -13.291 0.791 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.803 -12.649 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.959 -14.406 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.285 -14.934 -0.766 1.00 0.00 H new ATOM 151 N ILE A 13 -6.768 -10.903 -2.220 1.00 0.00 N ATOM 152 CA ILE A 13 -7.259 -9.943 -3.200 1.00 0.00 C ATOM 153 C ILE A 13 -7.334 -10.566 -4.590 1.00 0.00 C ATOM 154 O ILE A 13 -8.308 -10.371 -5.319 1.00 0.00 O ATOM 155 CB ILE A 13 -6.365 -8.691 -3.259 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.442 -7.920 -1.940 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.775 -7.801 -4.423 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.402 -6.829 -1.816 1.00 0.00 C ATOM 0 H ILE A 13 -5.828 -10.710 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.259 -9.650 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.333 -9.007 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.434 -7.478 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.324 -8.619 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.134 -6.920 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.674 -8.354 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.812 -7.491 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.516 -6.325 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.406 -7.267 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.533 -6.108 -2.623 1.00 0.00 H new ATOM 170 N LEU A 14 -6.301 -11.319 -4.952 1.00 0.00 N ATOM 171 CA LEU A 14 -6.249 -11.973 -6.254 1.00 0.00 C ATOM 172 C LEU A 14 -6.767 -13.405 -6.165 1.00 0.00 C ATOM 173 O LEU A 14 -7.318 -13.938 -7.127 1.00 0.00 O ATOM 174 CB LEU A 14 -4.818 -11.969 -6.793 1.00 0.00 C ATOM 175 CG LEU A 14 -4.183 -10.594 -7.001 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.666 -10.692 -6.950 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.636 -9.992 -8.324 1.00 0.00 C ATOM 0 H LEU A 14 -5.488 -11.492 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.889 -11.416 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.191 -12.537 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.808 -12.499 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.511 -9.938 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.232 -9.703 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.359 -11.079 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.318 -11.364 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.174 -9.013 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.338 -10.647 -9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.721 -9.884 -8.322 1.00 0.00 H new ATOM 189 N GLY A 15 -6.587 -14.023 -5.001 1.00 0.00 N ATOM 190 CA GLY A 15 -7.043 -15.387 -4.806 1.00 0.00 C ATOM 191 C GLY A 15 -5.899 -16.379 -4.753 1.00 0.00 C ATOM 192 O GLY A 15 -6.000 -17.420 -4.105 1.00 0.00 O ATOM 0 H GLY A 15 -6.133 -13.603 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.615 -15.447 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.719 -15.660 -5.616 1.00 0.00 H new ATOM 196 N ASN A 16 -4.806 -16.057 -5.437 1.00 0.00 N ATOM 197 CA ASN A 16 -3.637 -16.929 -5.467 1.00 0.00 C ATOM 198 C ASN A 16 -3.038 -17.082 -4.072 1.00 0.00 C ATOM 199 O ASN A 16 -2.882 -18.195 -3.571 1.00 0.00 O ATOM 200 CB ASN A 16 -2.585 -16.374 -6.429 1.00 0.00 C ATOM 201 CG ASN A 16 -2.560 -14.858 -6.446 1.00 0.00 C ATOM 202 OD1 ASN A 16 -2.940 -14.208 -5.472 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.112 -14.287 -7.558 1.00 0.00 N ATOM 0 H ASN A 16 -4.705 -15.198 -5.978 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.955 -17.911 -5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.602 -16.748 -6.143 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.786 -16.743 -7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.073 -13.270 -7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.807 -14.865 -8.341 1.00 0.00 H new ATOM 210 N GLY A 17 -2.703 -15.956 -3.450 1.00 0.00 N ATOM 211 CA GLY A 17 -2.125 -15.986 -2.120 1.00 0.00 C ATOM 212 C GLY A 17 -0.977 -15.009 -1.964 1.00 0.00 C ATOM 213 O GLY A 17 -0.575 -14.685 -0.845 1.00 0.00 O ATOM 0 H GLY A 17 -2.822 -15.023 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.897 -15.754 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.772 -16.994 -1.903 1.00 0.00 H new ATOM 217 N LEU A 18 -0.446 -14.538 -3.087 1.00 0.00 N ATOM 218 CA LEU A 18 0.665 -13.593 -3.071 1.00 0.00 C ATOM 219 C LEU A 18 0.245 -12.270 -2.437 1.00 0.00 C ATOM 220 O LEU A 18 0.683 -11.930 -1.337 1.00 0.00 O ATOM 221 CB LEU A 18 1.175 -13.351 -4.492 1.00 0.00 C ATOM 222 CG LEU A 18 2.183 -14.370 -5.026 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.329 -14.553 -4.043 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.499 -15.701 -5.305 1.00 0.00 C ATOM 0 H LEU A 18 -0.767 -14.795 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 18 1.468 -14.024 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.318 -13.330 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.633 -12.363 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 18 2.592 -13.991 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.036 -15.281 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.836 -13.600 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.938 -14.909 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.231 -16.414 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.062 -16.086 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.714 -15.558 -6.047 1.00 0.00 H new ATOM 236 N LEU A 19 -0.608 -11.530 -3.137 1.00 0.00 N ATOM 237 CA LEU A 19 -1.089 -10.245 -2.642 1.00 0.00 C ATOM 238 C LEU A 19 -2.158 -10.440 -1.571 1.00 0.00 C ATOM 239 O LEU A 19 -3.283 -10.842 -1.869 1.00 0.00 O ATOM 240 CB LEU A 19 -1.651 -9.410 -3.794 1.00 0.00 C ATOM 241 CG LEU A 19 -2.218 -8.041 -3.417 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.094 -7.053 -3.150 1.00 0.00 C ATOM 243 CD2 LEU A 19 -3.136 -7.523 -4.515 1.00 0.00 C ATOM 0 H LEU A 19 -0.980 -11.798 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.246 -9.717 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.860 -9.263 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.438 -9.985 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.803 -8.150 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.517 -6.084 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.476 -7.418 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.482 -6.947 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.530 -6.548 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.575 -7.429 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.961 -8.220 -4.658 1.00 0.00 H new ATOM 255 N ARG A 20 -1.800 -10.149 -0.325 1.00 0.00 N ATOM 256 CA ARG A 20 -2.729 -10.291 0.790 1.00 0.00 C ATOM 257 C ARG A 20 -3.020 -8.938 1.431 1.00 0.00 C ATOM 258 O ARG A 20 -2.275 -7.976 1.243 1.00 0.00 O ATOM 259 CB ARG A 20 -2.160 -11.252 1.836 1.00 0.00 C ATOM 260 CG ARG A 20 -2.090 -12.695 1.364 1.00 0.00 C ATOM 261 CD ARG A 20 -0.938 -13.440 2.019 1.00 0.00 C ATOM 262 NE ARG A 20 -1.290 -13.935 3.347 1.00 0.00 N ATOM 263 CZ ARG A 20 -0.417 -14.490 4.180 1.00 0.00 C ATOM 264 NH1 ARG A 20 0.853 -14.619 3.825 1.00 0.00 N ATOM 265 NH2 ARG A 20 -0.815 -14.916 5.373 1.00 0.00 N ATOM 0 H ARG A 20 -0.873 -9.813 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.663 -10.698 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.160 -10.921 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.774 -11.202 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.028 -13.200 1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.971 -12.719 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.642 -14.277 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.075 -12.778 2.096 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.260 -13.850 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.163 -14.292 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.521 -15.046 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.792 -14.817 5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.144 -15.342 6.012 1.00 0.00 H new ATOM 279 N LYS A 21 -4.110 -8.870 2.189 1.00 0.00 N ATOM 280 CA LYS A 21 -4.500 -7.636 2.859 1.00 0.00 C ATOM 281 C LYS A 21 -4.857 -7.899 4.319 1.00 0.00 C ATOM 282 O LYS A 21 -5.571 -8.852 4.632 1.00 0.00 O ATOM 283 CB LYS A 21 -5.689 -6.994 2.140 1.00 0.00 C ATOM 284 CG LYS A 21 -5.743 -5.483 2.283 1.00 0.00 C ATOM 285 CD LYS A 21 -6.800 -4.875 1.375 1.00 0.00 C ATOM 286 CE LYS A 21 -8.205 -5.205 1.857 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.581 -4.407 3.056 1.00 0.00 N ATOM 0 H LYS A 21 -4.739 -9.656 2.354 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.652 -6.952 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.643 -7.249 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.613 -7.421 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.958 -5.222 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.768 -5.059 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.671 -3.793 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.666 -5.246 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.918 -5.014 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.268 -6.267 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.582 -4.572 3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.991 -4.694 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.432 -3.396 2.861 1.00 0.00 H new ATOM 301 N LYS A 22 -4.358 -7.047 5.208 1.00 0.00 N ATOM 302 CA LYS A 22 -4.626 -7.185 6.635 1.00 0.00 C ATOM 303 C LYS A 22 -5.012 -5.842 7.248 1.00 0.00 C ATOM 304 O LYS A 22 -4.149 -5.054 7.636 1.00 0.00 O ATOM 305 CB LYS A 22 -3.400 -7.752 7.353 1.00 0.00 C ATOM 306 CG LYS A 22 -3.551 -7.809 8.863 1.00 0.00 C ATOM 307 CD LYS A 22 -2.334 -8.435 9.522 1.00 0.00 C ATOM 308 CE LYS A 22 -1.152 -7.477 9.534 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.235 -7.741 10.677 1.00 0.00 N ATOM 0 H LYS A 22 -3.765 -6.253 4.965 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.461 -7.874 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.202 -8.756 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.531 -7.142 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.699 -6.802 9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.441 -8.384 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.580 -8.723 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.060 -9.346 8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.601 -7.568 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.517 -6.451 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.557 -7.067 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.754 -7.629 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.133 -8.711 10.610 1.00 0.00 H new ATOM 323 N THR A 23 -6.314 -5.588 7.334 1.00 0.00 N ATOM 324 CA THR A 23 -6.813 -4.342 7.901 1.00 0.00 C ATOM 325 C THR A 23 -6.235 -4.098 9.290 1.00 0.00 C ATOM 326 O THR A 23 -6.668 -4.707 10.269 1.00 0.00 O ATOM 327 CB THR A 23 -8.351 -4.342 7.990 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.916 -4.653 6.712 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.866 -2.990 8.462 1.00 0.00 C ATOM 0 H THR A 23 -7.042 -6.229 7.018 1.00 0.00 H new ATOM 0 HA THR A 23 -6.494 -3.542 7.233 1.00 0.00 H new ATOM 0 HB THR A 23 -8.651 -5.100 8.713 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.894 -4.653 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.954 -3.014 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.458 -2.769 9.448 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.555 -2.217 7.759 1.00 0.00 H new ATOM 337 N LEU A 24 -5.255 -3.205 9.369 1.00 0.00 N ATOM 338 CA LEU A 24 -4.617 -2.880 10.640 1.00 0.00 C ATOM 339 C LEU A 24 -5.532 -2.018 11.504 1.00 0.00 C ATOM 340 O LEU A 24 -5.621 -2.211 12.717 1.00 0.00 O ATOM 341 CB LEU A 24 -3.292 -2.154 10.398 1.00 0.00 C ATOM 342 CG LEU A 24 -2.253 -2.912 9.572 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.107 -1.992 9.180 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.733 -4.116 10.344 1.00 0.00 C ATOM 0 H LEU A 24 -4.885 -2.693 8.568 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.421 -3.813 11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.505 -1.209 9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.852 -1.912 11.365 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.732 -3.269 8.661 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.377 -2.550 8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.493 -1.163 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.628 -1.604 10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.994 -4.644 9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.271 -3.781 11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.561 -4.787 10.573 1.00 0.00 H new ATOM 356 N VAL A 25 -6.212 -1.067 10.871 1.00 0.00 N ATOM 357 CA VAL A 25 -7.123 -0.177 11.581 1.00 0.00 C ATOM 358 C VAL A 25 -8.308 0.210 10.703 1.00 0.00 C ATOM 359 O VAL A 25 -8.191 1.016 9.780 1.00 0.00 O ATOM 360 CB VAL A 25 -6.405 1.103 12.050 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.381 2.034 12.753 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.237 0.755 12.960 1.00 0.00 C ATOM 0 H VAL A 25 -6.149 -0.893 9.868 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.484 -0.722 12.453 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.012 1.621 11.175 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.857 2.933 13.078 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.181 2.309 12.066 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.806 1.528 13.620 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.741 1.671 13.282 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.604 0.215 13.833 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.528 0.129 12.418 1.00 0.00 H new ATOM 372 N PRO A 26 -9.478 -0.377 10.996 1.00 0.00 N ATOM 373 CA PRO A 26 -10.708 -0.108 10.246 1.00 0.00 C ATOM 374 C PRO A 26 -11.241 1.300 10.491 1.00 0.00 C ATOM 375 O PRO A 26 -11.135 1.830 11.597 1.00 0.00 O ATOM 376 CB PRO A 26 -11.688 -1.152 10.786 1.00 0.00 C ATOM 377 CG PRO A 26 -11.187 -1.472 12.152 1.00 0.00 C ATOM 378 CD PRO A 26 -9.690 -1.348 12.083 1.00 0.00 C ATOM 0 HA PRO A 26 -10.550 -0.168 9.169 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.705 -0.761 10.819 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.709 -2.040 10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.602 -0.786 12.891 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.482 -2.478 12.450 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.272 -0.994 13.025 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.217 -2.305 11.865 1.00 0.00 H new ATOM 386 N GLY A 27 -11.814 1.900 9.453 1.00 0.00 N ATOM 387 CA GLY A 27 -12.355 3.241 9.577 1.00 0.00 C ATOM 388 C GLY A 27 -13.769 3.248 10.123 1.00 0.00 C ATOM 389 O GLY A 27 -14.380 2.200 10.334 1.00 0.00 O ATOM 0 H GLY A 27 -11.913 1.482 8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.713 3.829 10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.343 3.726 8.601 1.00 0.00 H new ATOM 393 N PRO A 28 -14.310 4.452 10.362 1.00 0.00 N ATOM 394 CA PRO A 28 -15.667 4.619 10.890 1.00 0.00 C ATOM 395 C PRO A 28 -16.737 4.231 9.876 1.00 0.00 C ATOM 396 O PRO A 28 -16.473 4.097 8.680 1.00 0.00 O ATOM 397 CB PRO A 28 -15.743 6.116 11.203 1.00 0.00 C ATOM 398 CG PRO A 28 -14.748 6.745 10.290 1.00 0.00 C ATOM 399 CD PRO A 28 -13.639 5.742 10.133 1.00 0.00 C ATOM 0 HA PRO A 28 -15.850 3.979 11.753 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.745 6.507 11.026 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.503 6.315 12.247 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.198 6.983 9.326 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.373 7.680 10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.191 5.791 9.141 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.839 5.912 10.853 1.00 0.00 H new ATOM 407 N PRO A 29 -17.973 4.046 10.360 1.00 0.00 N ATOM 408 CA PRO A 29 -19.108 3.672 9.511 1.00 0.00 C ATOM 409 C PRO A 29 -19.536 4.803 8.582 1.00 0.00 C ATOM 410 O PRO A 29 -20.487 4.664 7.815 1.00 0.00 O ATOM 411 CB PRO A 29 -20.217 3.359 10.519 1.00 0.00 C ATOM 412 CG PRO A 29 -19.862 4.150 11.730 1.00 0.00 C ATOM 413 CD PRO A 29 -18.360 4.188 11.774 1.00 0.00 C ATOM 0 HA PRO A 29 -18.865 2.839 8.851 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.195 3.644 10.132 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.261 2.293 10.741 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.276 5.157 11.674 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.267 3.688 12.630 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.994 5.123 12.199 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.955 3.381 12.384 1.00 0.00 H new ATOM 421 N GLY A 30 -18.825 5.924 8.657 1.00 0.00 N ATOM 422 CA GLY A 30 -19.146 7.063 7.817 1.00 0.00 C ATOM 423 C GLY A 30 -18.324 7.096 6.544 1.00 0.00 C ATOM 424 O GLY A 30 -18.816 7.496 5.489 1.00 0.00 O ATOM 0 H GLY A 30 -18.033 6.064 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.205 7.034 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.978 7.983 8.378 1.00 0.00 H new ATOM 428 N SER A 31 -17.067 6.674 6.643 1.00 0.00 N ATOM 429 CA SER A 31 -16.172 6.662 5.491 1.00 0.00 C ATOM 430 C SER A 31 -16.703 5.736 4.401 1.00 0.00 C ATOM 431 O SER A 31 -17.668 5.001 4.611 1.00 0.00 O ATOM 432 CB SER A 31 -14.770 6.220 5.913 1.00 0.00 C ATOM 433 OG SER A 31 -14.829 5.240 6.935 1.00 0.00 O ATOM 0 H SER A 31 -16.646 6.336 7.508 1.00 0.00 H new ATOM 0 HA SER A 31 -16.121 7.674 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.237 5.819 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.204 7.083 6.265 1.00 0.00 H new ATOM 0 HG SER A 31 -13.920 4.974 7.186 1.00 0.00 H new ATOM 439 N SER A 32 -16.066 5.778 3.236 1.00 0.00 N ATOM 440 CA SER A 32 -16.475 4.946 2.110 1.00 0.00 C ATOM 441 C SER A 32 -15.369 4.867 1.062 1.00 0.00 C ATOM 442 O SER A 32 -14.738 5.872 0.734 1.00 0.00 O ATOM 443 CB SER A 32 -17.753 5.499 1.478 1.00 0.00 C ATOM 444 OG SER A 32 -17.653 6.897 1.263 1.00 0.00 O ATOM 0 H SER A 32 -15.264 6.379 3.046 1.00 0.00 H new ATOM 0 HA SER A 32 -16.669 3.941 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.941 4.995 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.604 5.288 2.126 1.00 0.00 H new ATOM 0 HG SER A 32 -18.482 7.226 0.857 1.00 0.00 H new ATOM 450 N ARG A 33 -15.140 3.666 0.542 1.00 0.00 N ATOM 451 CA ARG A 33 -14.110 3.455 -0.468 1.00 0.00 C ATOM 452 C ARG A 33 -14.056 4.627 -1.444 1.00 0.00 C ATOM 453 O ARG A 33 -15.081 5.153 -1.878 1.00 0.00 O ATOM 454 CB ARG A 33 -14.372 2.155 -1.230 1.00 0.00 C ATOM 455 CG ARG A 33 -14.200 0.905 -0.382 1.00 0.00 C ATOM 456 CD ARG A 33 -13.876 -0.309 -1.237 1.00 0.00 C ATOM 457 NE ARG A 33 -15.082 -1.002 -1.683 1.00 0.00 N ATOM 458 CZ ARG A 33 -15.108 -2.284 -2.028 1.00 0.00 C ATOM 459 NH1 ARG A 33 -13.999 -3.010 -1.980 1.00 0.00 N ATOM 460 NH2 ARG A 33 -16.244 -2.844 -2.423 1.00 0.00 N ATOM 0 H ARG A 33 -15.654 2.824 0.803 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.148 3.383 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.386 2.176 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.695 2.101 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.402 1.063 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.113 0.720 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.295 0.003 -2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.252 -0.998 -0.667 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.952 -0.472 -1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.123 -2.584 -1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.022 -3.995 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.099 -2.290 -2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.262 -3.829 -2.688 1.00 0.00 H new ATOM 474 N PRO A 34 -12.832 5.047 -1.797 1.00 0.00 N ATOM 475 CA PRO A 34 -12.615 6.161 -2.724 1.00 0.00 C ATOM 476 C PRO A 34 -13.014 5.812 -4.154 1.00 0.00 C ATOM 477 O PRO A 34 -13.585 4.751 -4.408 1.00 0.00 O ATOM 478 CB PRO A 34 -11.107 6.408 -2.635 1.00 0.00 C ATOM 479 CG PRO A 34 -10.534 5.101 -2.209 1.00 0.00 C ATOM 480 CD PRO A 34 -11.566 4.467 -1.318 1.00 0.00 C ATOM 0 HA PRO A 34 -13.219 7.030 -2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.700 6.724 -3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.876 7.195 -1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.321 4.469 -3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.593 5.242 -1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.562 3.381 -1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.389 4.700 -0.268 1.00 0.00 H new ATOM 488 N VAL A 35 -12.710 6.710 -5.085 1.00 0.00 N ATOM 489 CA VAL A 35 -13.036 6.496 -6.490 1.00 0.00 C ATOM 490 C VAL A 35 -11.773 6.379 -7.335 1.00 0.00 C ATOM 491 O VAL A 35 -10.702 6.839 -6.939 1.00 0.00 O ATOM 492 CB VAL A 35 -13.908 7.638 -7.044 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.297 8.989 -6.707 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.091 7.487 -8.547 1.00 0.00 C ATOM 0 H VAL A 35 -12.238 7.593 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.595 5.562 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.890 7.583 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.927 9.783 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.223 9.095 -5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.302 9.059 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.710 8.302 -8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.118 7.515 -9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.577 6.535 -8.761 1.00 0.00 H new ATOM 504 N LYS A 36 -11.905 5.761 -8.504 1.00 0.00 N ATOM 505 CA LYS A 36 -10.775 5.584 -9.408 1.00 0.00 C ATOM 506 C LYS A 36 -10.670 6.753 -10.383 1.00 0.00 C ATOM 507 O LYS A 36 -11.575 6.990 -11.182 1.00 0.00 O ATOM 508 CB LYS A 36 -10.916 4.271 -10.183 1.00 0.00 C ATOM 509 CG LYS A 36 -9.769 4.005 -11.142 1.00 0.00 C ATOM 510 CD LYS A 36 -10.016 2.759 -11.975 1.00 0.00 C ATOM 511 CE LYS A 36 -9.609 1.499 -11.226 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.477 1.254 -10.041 1.00 0.00 N ATOM 0 H LYS A 36 -12.784 5.374 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.865 5.550 -8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.985 3.446 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.851 4.288 -10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.638 4.864 -11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.843 3.890 -10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.072 2.701 -12.241 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.456 2.826 -12.908 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.663 0.643 -11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.571 1.587 -10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.555 0.231 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.060 1.711 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.423 1.649 -10.216 1.00 0.00 H new ATOM 526 N GLY A 37 -9.559 7.479 -10.312 1.00 0.00 N ATOM 527 CA GLY A 37 -9.356 8.613 -11.195 1.00 0.00 C ATOM 528 C GLY A 37 -9.167 9.912 -10.436 1.00 0.00 C ATOM 529 O GLY A 37 -9.050 10.978 -11.039 1.00 0.00 O ATOM 0 H GLY A 37 -8.796 7.302 -9.659 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.482 8.431 -11.820 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.212 8.707 -11.863 1.00 0.00 H new ATOM 533 N GLN A 38 -9.140 9.822 -9.110 1.00 0.00 N ATOM 534 CA GLN A 38 -8.967 11.000 -8.269 1.00 0.00 C ATOM 535 C GLN A 38 -7.605 10.984 -7.582 1.00 0.00 C ATOM 536 O GLN A 38 -6.889 9.984 -7.626 1.00 0.00 O ATOM 537 CB GLN A 38 -10.079 11.072 -7.221 1.00 0.00 C ATOM 538 CG GLN A 38 -11.443 11.407 -7.803 1.00 0.00 C ATOM 539 CD GLN A 38 -12.326 12.159 -6.827 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.482 11.796 -6.611 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.783 13.214 -6.230 1.00 0.00 N ATOM 0 H GLN A 38 -9.236 8.946 -8.596 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.021 11.882 -8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.140 10.116 -6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.817 11.823 -6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.312 12.006 -8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.942 10.485 -8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.821 13.479 -6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.329 13.759 -5.562 1.00 0.00 H new ATOM 550 N VAL A 39 -7.254 12.098 -6.949 1.00 0.00 N ATOM 551 CA VAL A 39 -5.978 12.211 -6.252 1.00 0.00 C ATOM 552 C VAL A 39 -6.062 11.617 -4.851 1.00 0.00 C ATOM 553 O VAL A 39 -6.646 12.213 -3.946 1.00 0.00 O ATOM 554 CB VAL A 39 -5.524 13.679 -6.148 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.373 13.814 -5.163 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.129 14.213 -7.517 1.00 0.00 C ATOM 0 H VAL A 39 -7.835 12.935 -6.904 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.248 11.652 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.359 14.273 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.066 14.858 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.694 13.473 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.532 13.207 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.811 15.251 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.309 13.617 -7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.984 14.154 -8.191 1.00 0.00 H new ATOM 566 N VAL A 40 -5.474 10.437 -4.678 1.00 0.00 N ATOM 567 CA VAL A 40 -5.481 9.761 -3.386 1.00 0.00 C ATOM 568 C VAL A 40 -4.139 9.914 -2.679 1.00 0.00 C ATOM 569 O VAL A 40 -3.086 9.641 -3.255 1.00 0.00 O ATOM 570 CB VAL A 40 -5.801 8.262 -3.539 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.300 8.023 -3.445 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.249 7.731 -4.853 1.00 0.00 C ATOM 0 H VAL A 40 -4.987 9.930 -5.417 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.260 10.232 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.320 7.721 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.506 6.958 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.663 8.364 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.807 8.575 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.484 6.671 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.699 8.275 -5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.168 7.866 -4.874 1.00 0.00 H new ATOM 582 N THR A 41 -4.184 10.353 -1.425 1.00 0.00 N ATOM 583 CA THR A 41 -2.973 10.543 -0.638 1.00 0.00 C ATOM 584 C THR A 41 -2.902 9.546 0.513 1.00 0.00 C ATOM 585 O THR A 41 -3.742 9.560 1.413 1.00 0.00 O ATOM 586 CB THR A 41 -2.891 11.973 -0.069 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.191 12.926 -1.095 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.507 12.251 0.499 1.00 0.00 C ATOM 0 H THR A 41 -5.047 10.584 -0.933 1.00 0.00 H new ATOM 0 HA THR A 41 -2.131 10.378 -1.310 1.00 0.00 H new ATOM 0 HB THR A 41 -3.621 12.063 0.735 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.139 13.832 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.473 13.266 0.895 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.293 11.542 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.762 12.144 -0.289 1.00 0.00 H new ATOM 596 N VAL A 42 -1.893 8.681 0.479 1.00 0.00 N ATOM 597 CA VAL A 42 -1.712 7.677 1.521 1.00 0.00 C ATOM 598 C VAL A 42 -0.255 7.604 1.966 1.00 0.00 C ATOM 599 O VAL A 42 0.594 8.346 1.472 1.00 0.00 O ATOM 600 CB VAL A 42 -2.162 6.284 1.043 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.432 6.389 0.213 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.052 5.609 0.251 1.00 0.00 C ATOM 0 H VAL A 42 -1.189 8.655 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.332 7.981 2.364 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.378 5.671 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.735 5.395 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.226 6.829 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.247 7.018 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.387 4.626 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.803 6.218 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.170 5.499 0.882 1.00 0.00 H new ATOM 612 N HIS A 43 0.027 6.704 2.902 1.00 0.00 N ATOM 613 CA HIS A 43 1.382 6.532 3.414 1.00 0.00 C ATOM 614 C HIS A 43 1.879 5.110 3.170 1.00 0.00 C ATOM 615 O HIS A 43 1.539 4.187 3.912 1.00 0.00 O ATOM 616 CB HIS A 43 1.430 6.853 4.908 1.00 0.00 C ATOM 617 CG HIS A 43 2.815 6.845 5.478 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.204 7.657 6.522 1.00 0.00 N ATOM 619 CD2 HIS A 43 3.906 6.115 5.145 1.00 0.00 C ATOM 620 CE1 HIS A 43 4.475 7.429 6.805 1.00 0.00 C ATOM 621 NE2 HIS A 43 4.923 6.497 5.984 1.00 0.00 N ATOM 0 H HIS A 43 -0.664 6.082 3.322 1.00 0.00 H new ATOM 0 HA HIS A 43 2.036 7.222 2.881 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.983 7.833 5.075 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.820 6.128 5.447 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.605 8.329 7.001 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.965 5.371 4.365 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.049 7.921 7.576 1.00 0.00 H new ATOM 630 N LEU A 44 2.684 4.940 2.127 1.00 0.00 N ATOM 631 CA LEU A 44 3.227 3.630 1.785 1.00 0.00 C ATOM 632 C LEU A 44 4.659 3.486 2.289 1.00 0.00 C ATOM 633 O LEU A 44 5.470 4.401 2.151 1.00 0.00 O ATOM 634 CB LEU A 44 3.183 3.418 0.271 1.00 0.00 C ATOM 635 CG LEU A 44 4.311 2.572 -0.321 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.628 3.331 -0.275 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.431 1.248 0.421 1.00 0.00 C ATOM 0 H LEU A 44 2.975 5.693 1.503 1.00 0.00 H new ATOM 0 HA LEU A 44 2.613 2.871 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.232 2.949 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.196 4.395 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 44 4.072 2.362 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.419 2.713 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.537 4.252 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.873 3.572 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.239 0.659 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.646 1.438 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.494 0.697 0.336 1.00 0.00 H new ATOM 649 N GLN A 45 4.963 2.331 2.872 1.00 0.00 N ATOM 650 CA GLN A 45 6.298 2.067 3.395 1.00 0.00 C ATOM 651 C GLN A 45 6.777 0.677 2.989 1.00 0.00 C ATOM 652 O GLN A 45 6.214 -0.334 3.410 1.00 0.00 O ATOM 653 CB GLN A 45 6.307 2.197 4.919 1.00 0.00 C ATOM 654 CG GLN A 45 6.382 3.635 5.406 1.00 0.00 C ATOM 655 CD GLN A 45 6.969 3.749 6.799 1.00 0.00 C ATOM 656 OE1 GLN A 45 8.187 3.249 6.971 1.00 0.00 O flip ATOM 657 NE2 GLN A 45 6.335 4.281 7.711 1.00 0.00 N flip ATOM 0 H GLN A 45 4.303 1.563 2.994 1.00 0.00 H new ATOM 0 HA GLN A 45 6.979 2.805 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.406 1.733 5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.156 1.642 5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.987 4.219 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.382 4.069 5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.401 4.652 7.534 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.743 4.351 8.643 1.00 0.00 H new ATOM 666 N THR A 46 7.820 0.633 2.166 1.00 0.00 N ATOM 667 CA THR A 46 8.374 -0.633 1.701 1.00 0.00 C ATOM 668 C THR A 46 9.500 -1.108 2.613 1.00 0.00 C ATOM 669 O THR A 46 10.396 -0.339 2.961 1.00 0.00 O ATOM 670 CB THR A 46 8.909 -0.517 0.262 1.00 0.00 C ATOM 671 OG1 THR A 46 7.913 0.066 -0.586 1.00 0.00 O ATOM 672 CG2 THR A 46 9.307 -1.882 -0.280 1.00 0.00 C ATOM 0 H THR A 46 8.298 1.460 1.808 1.00 0.00 H new ATOM 0 HA THR A 46 7.562 -1.360 1.721 1.00 0.00 H new ATOM 0 HB THR A 46 9.792 0.122 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.262 0.138 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.682 -1.774 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.086 -2.311 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.438 -2.540 -0.281 1.00 0.00 H new ATOM 680 N SER A 47 9.448 -2.380 2.996 1.00 0.00 N ATOM 681 CA SER A 47 10.462 -2.957 3.870 1.00 0.00 C ATOM 682 C SER A 47 10.645 -4.444 3.582 1.00 0.00 C ATOM 683 O SER A 47 9.679 -5.160 3.312 1.00 0.00 O ATOM 684 CB SER A 47 10.077 -2.754 5.336 1.00 0.00 C ATOM 685 OG SER A 47 9.475 -1.486 5.535 1.00 0.00 O ATOM 0 H SER A 47 8.714 -3.030 2.715 1.00 0.00 H new ATOM 0 HA SER A 47 11.406 -2.448 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.388 -3.540 5.646 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.964 -2.841 5.964 1.00 0.00 H new ATOM 0 HG SER A 47 9.237 -1.382 6.480 1.00 0.00 H new ATOM 691 N LEU A 48 11.890 -4.903 3.642 1.00 0.00 N ATOM 692 CA LEU A 48 12.202 -6.305 3.388 1.00 0.00 C ATOM 693 C LEU A 48 11.589 -7.202 4.458 1.00 0.00 C ATOM 694 O LEU A 48 11.467 -6.807 5.617 1.00 0.00 O ATOM 695 CB LEU A 48 13.717 -6.511 3.341 1.00 0.00 C ATOM 696 CG LEU A 48 14.374 -6.355 1.969 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.007 -7.522 1.066 1.00 0.00 C ATOM 698 CD2 LEU A 48 13.967 -5.035 1.330 1.00 0.00 C ATOM 0 H LEU A 48 12.700 -4.325 3.864 1.00 0.00 H new ATOM 0 HA LEU A 48 11.774 -6.577 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.181 -5.802 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.939 -7.510 3.717 1.00 0.00 H new ATOM 0 HG LEU A 48 15.456 -6.352 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.483 -7.394 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.349 -8.453 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.925 -7.557 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.444 -4.941 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.884 -5.008 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.281 -4.209 1.969 1.00 0.00 H new ATOM 710 N GLU A 49 11.206 -8.412 4.061 1.00 0.00 N ATOM 711 CA GLU A 49 10.606 -9.365 4.988 1.00 0.00 C ATOM 712 C GLU A 49 11.414 -9.449 6.280 1.00 0.00 C ATOM 713 O GLU A 49 10.857 -9.627 7.362 1.00 0.00 O ATOM 714 CB GLU A 49 10.512 -10.748 4.341 1.00 0.00 C ATOM 715 CG GLU A 49 9.660 -11.731 5.128 1.00 0.00 C ATOM 716 CD GLU A 49 9.731 -13.140 4.572 1.00 0.00 C ATOM 717 OE1 GLU A 49 9.619 -13.296 3.337 1.00 0.00 O ATOM 718 OE2 GLU A 49 9.898 -14.085 5.369 1.00 0.00 O ATOM 0 H GLU A 49 11.300 -8.755 3.105 1.00 0.00 H new ATOM 0 HA GLU A 49 9.602 -9.016 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.098 -10.643 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.516 -11.157 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.987 -11.738 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.623 -11.394 5.122 1.00 0.00 H new ATOM 725 N ASN A 50 12.731 -9.321 6.157 1.00 0.00 N ATOM 726 CA ASN A 50 13.617 -9.384 7.314 1.00 0.00 C ATOM 727 C ASN A 50 13.430 -8.163 8.209 1.00 0.00 C ATOM 728 O ASN A 50 13.267 -8.288 9.421 1.00 0.00 O ATOM 729 CB ASN A 50 15.075 -9.481 6.861 1.00 0.00 C ATOM 730 CG ASN A 50 15.251 -10.402 5.669 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.203 -9.834 4.470 1.00 0.00 O flip ATOM 732 ND2 ASN A 50 15.429 -11.611 5.826 1.00 0.00 N flip ATOM 0 H ASN A 50 13.208 -9.173 5.268 1.00 0.00 H new ATOM 0 HA ASN A 50 13.362 -10.275 7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.440 -8.486 6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.686 -9.841 7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.459 -12.004 6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.547 -12.219 5.015 1.00 0.00 H new ATOM 739 N GLY A 51 13.456 -6.981 7.601 1.00 0.00 N ATOM 740 CA GLY A 51 13.288 -5.754 8.357 1.00 0.00 C ATOM 741 C GLY A 51 14.201 -4.645 7.873 1.00 0.00 C ATOM 742 O GLY A 51 14.740 -3.879 8.673 1.00 0.00 O ATOM 0 H GLY A 51 13.590 -6.851 6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.251 -5.425 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.487 -5.950 9.411 1.00 0.00 H new ATOM 746 N THR A 52 14.378 -4.557 6.558 1.00 0.00 N ATOM 747 CA THR A 52 15.234 -3.536 5.968 1.00 0.00 C ATOM 748 C THR A 52 14.418 -2.538 5.154 1.00 0.00 C ATOM 749 O THR A 52 14.150 -2.759 3.973 1.00 0.00 O ATOM 750 CB THR A 52 16.312 -4.161 5.064 1.00 0.00 C ATOM 751 OG1 THR A 52 17.078 -5.117 5.804 1.00 0.00 O ATOM 752 CG2 THR A 52 17.235 -3.089 4.502 1.00 0.00 C ATOM 0 H THR A 52 13.939 -5.181 5.881 1.00 0.00 H new ATOM 0 HA THR A 52 15.720 -3.015 6.793 1.00 0.00 H new ATOM 0 HB THR A 52 15.813 -4.661 4.233 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.760 -5.511 5.221 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.988 -3.554 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.653 -2.379 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.726 -2.565 5.322 1.00 0.00 H new ATOM 760 N ARG A 53 14.027 -1.440 5.791 1.00 0.00 N ATOM 761 CA ARG A 53 13.242 -0.408 5.124 1.00 0.00 C ATOM 762 C ARG A 53 13.949 0.085 3.865 1.00 0.00 C ATOM 763 O ARG A 53 15.044 0.642 3.933 1.00 0.00 O ATOM 764 CB ARG A 53 12.991 0.765 6.074 1.00 0.00 C ATOM 765 CG ARG A 53 11.724 0.619 6.900 1.00 0.00 C ATOM 766 CD ARG A 53 11.124 1.974 7.244 1.00 0.00 C ATOM 767 NE ARG A 53 11.992 2.749 8.125 1.00 0.00 N ATOM 768 CZ ARG A 53 12.001 2.620 9.447 1.00 0.00 C ATOM 769 NH1 ARG A 53 11.192 1.750 10.037 1.00 0.00 N ATOM 770 NH2 ARG A 53 12.820 3.362 10.182 1.00 0.00 N ATOM 0 H ARG A 53 14.241 -1.242 6.768 1.00 0.00 H new ATOM 0 HA ARG A 53 12.286 -0.844 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.843 0.866 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.932 1.686 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.995 0.026 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.947 0.075 7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.945 2.535 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.156 1.830 7.724 1.00 0.00 H new ATOM 0 HE ARG A 53 12.626 3.427 7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.561 1.178 9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.201 1.653 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.443 4.032 9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.826 3.262 11.197 1.00 0.00 H new ATOM 784 N VAL A 54 13.314 -0.125 2.716 1.00 0.00 N ATOM 785 CA VAL A 54 13.881 0.299 1.441 1.00 0.00 C ATOM 786 C VAL A 54 13.508 1.743 1.126 1.00 0.00 C ATOM 787 O VAL A 54 14.370 2.561 0.808 1.00 0.00 O ATOM 788 CB VAL A 54 13.408 -0.606 0.288 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.048 -0.179 -1.023 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.719 -2.064 0.593 1.00 0.00 C ATOM 0 H VAL A 54 12.407 -0.586 2.642 1.00 0.00 H new ATOM 0 HA VAL A 54 14.964 0.220 1.534 1.00 0.00 H new ATOM 0 HB VAL A 54 12.328 -0.502 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.702 -0.830 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.769 0.851 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.132 -0.252 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.378 -2.689 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.794 -2.187 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.208 -2.361 1.509 1.00 0.00 H new ATOM 800 N GLN A 55 12.217 2.047 1.216 1.00 0.00 N ATOM 801 CA GLN A 55 11.730 3.394 0.940 1.00 0.00 C ATOM 802 C GLN A 55 10.602 3.771 1.895 1.00 0.00 C ATOM 803 O GLN A 55 9.740 2.949 2.207 1.00 0.00 O ATOM 804 CB GLN A 55 11.244 3.496 -0.507 1.00 0.00 C ATOM 805 CG GLN A 55 9.845 2.942 -0.720 1.00 0.00 C ATOM 806 CD GLN A 55 9.243 3.370 -2.044 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.786 2.538 -2.829 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.240 4.673 -2.300 1.00 0.00 N ATOM 0 H GLN A 55 11.491 1.380 1.477 1.00 0.00 H new ATOM 0 HA GLN A 55 12.556 4.090 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.262 4.542 -0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.940 2.961 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.879 1.853 -0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.199 3.274 0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.629 5.327 -1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.848 5.020 -3.176 1.00 0.00 H new ATOM 817 N GLU A 56 10.615 5.017 2.356 1.00 0.00 N ATOM 818 CA GLU A 56 9.593 5.502 3.277 1.00 0.00 C ATOM 819 C GLU A 56 8.915 6.754 2.727 1.00 0.00 C ATOM 820 O GLU A 56 9.460 7.854 2.811 1.00 0.00 O ATOM 821 CB GLU A 56 10.208 5.800 4.645 1.00 0.00 C ATOM 822 CG GLU A 56 9.184 6.169 5.706 1.00 0.00 C ATOM 823 CD GLU A 56 9.805 6.872 6.897 1.00 0.00 C ATOM 824 OE1 GLU A 56 10.108 8.078 6.783 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.988 6.215 7.944 1.00 0.00 O ATOM 0 H GLU A 56 11.322 5.709 2.107 1.00 0.00 H new ATOM 0 HA GLU A 56 8.840 4.722 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.768 4.927 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.923 6.617 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.425 6.814 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.677 5.266 6.046 1.00 0.00 H new ATOM 832 N GLU A 57 7.724 6.576 2.165 1.00 0.00 N ATOM 833 CA GLU A 57 6.972 7.691 1.601 1.00 0.00 C ATOM 834 C GLU A 57 5.808 8.077 2.509 1.00 0.00 C ATOM 835 O GLU A 57 4.769 7.418 2.543 1.00 0.00 O ATOM 836 CB GLU A 57 6.450 7.330 0.209 1.00 0.00 C ATOM 837 CG GLU A 57 6.321 8.525 -0.721 1.00 0.00 C ATOM 838 CD GLU A 57 6.055 8.119 -2.158 1.00 0.00 C ATOM 839 OE1 GLU A 57 6.379 6.969 -2.521 1.00 0.00 O ATOM 840 OE2 GLU A 57 5.522 8.953 -2.920 1.00 0.00 O ATOM 0 H GLU A 57 7.259 5.671 2.088 1.00 0.00 H new ATOM 0 HA GLU A 57 7.644 8.545 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.120 6.599 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.476 6.851 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.511 9.166 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.236 9.115 -0.677 1.00 0.00 H new ATOM 847 N PRO A 58 5.984 9.172 3.263 1.00 0.00 N ATOM 848 CA PRO A 58 4.960 9.672 4.185 1.00 0.00 C ATOM 849 C PRO A 58 3.754 10.251 3.454 1.00 0.00 C ATOM 850 O PRO A 58 2.611 9.921 3.766 1.00 0.00 O ATOM 851 CB PRO A 58 5.690 10.768 4.965 1.00 0.00 C ATOM 852 CG PRO A 58 6.777 11.222 4.054 1.00 0.00 C ATOM 853 CD PRO A 58 7.197 10.007 3.274 1.00 0.00 C ATOM 0 HA PRO A 58 4.556 8.879 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.018 11.588 5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.093 10.385 5.902 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.425 12.010 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.614 11.632 4.619 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.514 10.268 2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.034 9.494 3.749 1.00 0.00 H new ATOM 861 N GLU A 59 4.018 11.115 2.478 1.00 0.00 N ATOM 862 CA GLU A 59 2.953 11.739 1.703 1.00 0.00 C ATOM 863 C GLU A 59 2.922 11.190 0.280 1.00 0.00 C ATOM 864 O GLU A 59 3.355 11.853 -0.664 1.00 0.00 O ATOM 865 CB GLU A 59 3.138 13.258 1.671 1.00 0.00 C ATOM 866 CG GLU A 59 2.102 13.980 0.826 1.00 0.00 C ATOM 867 CD GLU A 59 2.098 15.478 1.061 1.00 0.00 C ATOM 868 OE1 GLU A 59 3.173 16.030 1.377 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.022 16.097 0.929 1.00 0.00 O ATOM 0 H GLU A 59 4.959 11.398 2.206 1.00 0.00 H new ATOM 0 HA GLU A 59 2.004 11.506 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.095 13.642 2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.132 13.486 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.297 13.782 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.113 13.579 1.049 1.00 0.00 H new ATOM 876 N LEU A 60 2.407 9.974 0.132 1.00 0.00 N ATOM 877 CA LEU A 60 2.320 9.333 -1.176 1.00 0.00 C ATOM 878 C LEU A 60 1.045 9.750 -1.902 1.00 0.00 C ATOM 879 O LEU A 60 -0.057 9.617 -1.369 1.00 0.00 O ATOM 880 CB LEU A 60 2.359 7.812 -1.024 1.00 0.00 C ATOM 881 CG LEU A 60 2.115 7.004 -2.299 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.662 7.115 -2.731 1.00 0.00 C ATOM 883 CD2 LEU A 60 3.042 7.470 -3.412 1.00 0.00 C ATOM 0 H LEU A 60 2.043 9.412 0.902 1.00 0.00 H new ATOM 0 HA LEU A 60 3.176 9.655 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.332 7.532 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.612 7.521 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 60 2.331 5.956 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.507 6.534 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.017 6.731 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.418 8.160 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.854 6.884 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.859 8.524 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.078 7.337 -3.102 1.00 0.00 H new ATOM 895 N VAL A 61 1.202 10.254 -3.122 1.00 0.00 N ATOM 896 CA VAL A 61 0.064 10.687 -3.923 1.00 0.00 C ATOM 897 C VAL A 61 0.128 10.103 -5.330 1.00 0.00 C ATOM 898 O VAL A 61 1.210 9.890 -5.877 1.00 0.00 O ATOM 899 CB VAL A 61 -0.003 12.223 -4.019 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.310 12.782 -4.547 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.167 12.651 -4.900 1.00 0.00 C ATOM 0 H VAL A 61 2.107 10.372 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.833 10.322 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.166 12.626 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.245 13.868 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.121 12.505 -3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.507 12.374 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.199 13.739 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.037 12.239 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.100 12.282 -4.475 1.00 0.00 H new ATOM 911 N PHE A 62 -1.039 9.846 -5.911 1.00 0.00 N ATOM 912 CA PHE A 62 -1.116 9.285 -7.256 1.00 0.00 C ATOM 913 C PHE A 62 -2.540 9.370 -7.799 1.00 0.00 C ATOM 914 O PHE A 62 -3.470 9.740 -7.082 1.00 0.00 O ATOM 915 CB PHE A 62 -0.645 7.830 -7.252 1.00 0.00 C ATOM 916 CG PHE A 62 -1.542 6.911 -6.472 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.829 6.644 -6.908 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.097 6.315 -5.303 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.657 5.800 -6.191 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.919 5.470 -4.582 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.201 5.211 -5.028 1.00 0.00 C ATOM 0 H PHE A 62 -1.944 10.017 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.463 9.869 -7.905 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.580 7.475 -8.280 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.361 7.783 -6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.190 7.100 -7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.095 6.513 -4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.660 5.602 -6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.560 5.013 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.845 4.549 -4.468 1.00 0.00 H new ATOM 931 N THR A 63 -2.702 9.025 -9.073 1.00 0.00 N ATOM 932 CA THR A 63 -4.010 9.063 -9.714 1.00 0.00 C ATOM 933 C THR A 63 -4.566 7.657 -9.913 1.00 0.00 C ATOM 934 O THR A 63 -4.338 7.029 -10.947 1.00 0.00 O ATOM 935 CB THR A 63 -3.946 9.775 -11.078 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.452 11.109 -10.912 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.319 9.815 -11.732 1.00 0.00 C ATOM 0 H THR A 63 -1.943 8.716 -9.681 1.00 0.00 H new ATOM 0 HA THR A 63 -4.671 9.622 -9.051 1.00 0.00 H new ATOM 0 HB THR A 63 -3.269 9.215 -11.724 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.413 11.554 -11.784 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.249 10.323 -12.694 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.679 8.798 -11.884 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.014 10.354 -11.087 1.00 0.00 H new ATOM 945 N LEU A 64 -5.297 7.169 -8.917 1.00 0.00 N ATOM 946 CA LEU A 64 -5.887 5.836 -8.983 1.00 0.00 C ATOM 947 C LEU A 64 -6.389 5.532 -10.390 1.00 0.00 C ATOM 948 O LEU A 64 -6.964 6.393 -11.055 1.00 0.00 O ATOM 949 CB LEU A 64 -7.037 5.716 -7.982 1.00 0.00 C ATOM 950 CG LEU A 64 -7.545 4.300 -7.709 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.443 3.445 -7.102 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.760 4.336 -6.794 1.00 0.00 C ATOM 0 H LEU A 64 -5.495 7.676 -8.054 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.114 5.111 -8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.716 6.154 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.872 6.316 -8.344 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.843 3.853 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.823 2.441 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.602 3.391 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.113 3.889 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.108 3.319 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.489 4.803 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.555 4.912 -7.268 1.00 0.00 H new ATOM 964 N GLY A 65 -6.168 4.300 -10.839 1.00 0.00 N ATOM 965 CA GLY A 65 -6.606 3.903 -12.164 1.00 0.00 C ATOM 966 C GLY A 65 -5.455 3.781 -13.143 1.00 0.00 C ATOM 967 O GLY A 65 -5.474 2.928 -14.030 1.00 0.00 O ATOM 0 H GLY A 65 -5.693 3.570 -10.308 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.127 2.948 -12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.323 4.633 -12.540 1.00 0.00 H new ATOM 971 N ASP A 66 -4.452 4.638 -12.983 1.00 0.00 N ATOM 972 CA ASP A 66 -3.288 4.623 -13.861 1.00 0.00 C ATOM 973 C ASP A 66 -2.203 3.703 -13.309 1.00 0.00 C ATOM 974 O ASP A 66 -1.171 3.492 -13.947 1.00 0.00 O ATOM 975 CB ASP A 66 -2.735 6.039 -14.033 1.00 0.00 C ATOM 976 CG ASP A 66 -1.889 6.181 -15.283 1.00 0.00 C ATOM 977 OD1 ASP A 66 -1.001 5.330 -15.499 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.113 7.145 -16.045 1.00 0.00 O ATOM 0 H ASP A 66 -4.422 5.351 -12.254 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.601 4.243 -14.833 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.563 6.747 -14.075 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.136 6.301 -13.161 1.00 0.00 H new ATOM 983 N CYS A 67 -2.443 3.160 -12.121 1.00 0.00 N ATOM 984 CA CYS A 67 -1.486 2.265 -11.482 1.00 0.00 C ATOM 985 C CYS A 67 -0.080 2.854 -11.522 1.00 0.00 C ATOM 986 O CYS A 67 0.886 2.160 -11.841 1.00 0.00 O ATOM 987 CB CYS A 67 -1.499 0.898 -12.167 1.00 0.00 C ATOM 988 SG CYS A 67 -3.118 0.093 -12.178 1.00 0.00 S ATOM 0 H CYS A 67 -3.292 3.324 -11.581 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.780 2.144 -10.439 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.157 1.016 -13.195 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.784 0.246 -11.666 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.028 -1.055 -12.781 1.00 0.00 H new ATOM 994 N ASP A 68 0.028 4.138 -11.198 1.00 0.00 N ATOM 995 CA ASP A 68 1.316 4.821 -11.197 1.00 0.00 C ATOM 996 C ASP A 68 2.171 4.367 -10.019 1.00 0.00 C ATOM 997 O ASP A 68 3.372 4.634 -9.971 1.00 0.00 O ATOM 998 CB ASP A 68 1.113 6.336 -11.142 1.00 0.00 C ATOM 999 CG ASP A 68 1.013 6.957 -12.522 1.00 0.00 C ATOM 1000 OD1 ASP A 68 2.061 7.101 -13.186 1.00 0.00 O ATOM 1001 OD2 ASP A 68 -0.113 7.299 -12.937 1.00 0.00 O ATOM 0 H ASP A 68 -0.761 4.727 -10.933 1.00 0.00 H new ATOM 0 HA ASP A 68 1.836 4.565 -12.120 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.206 6.558 -10.580 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.942 6.791 -10.601 1.00 0.00 H new ATOM 1006 N VAL A 69 1.545 3.679 -9.069 1.00 0.00 N ATOM 1007 CA VAL A 69 2.249 3.188 -7.891 1.00 0.00 C ATOM 1008 C VAL A 69 2.323 1.665 -7.891 1.00 0.00 C ATOM 1009 O VAL A 69 1.850 1.010 -8.820 1.00 0.00 O ATOM 1010 CB VAL A 69 1.565 3.657 -6.593 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.755 5.154 -6.401 1.00 0.00 C ATOM 1012 CG2 VAL A 69 0.088 3.296 -6.608 1.00 0.00 C ATOM 0 H VAL A 69 0.551 3.449 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 69 3.258 3.599 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 69 2.031 3.145 -5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.265 5.468 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.819 5.381 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.317 5.688 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.379 3.635 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.396 3.779 -7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.021 2.215 -6.695 1.00 0.00 H new ATOM 1022 N ILE A 70 2.921 1.108 -6.843 1.00 0.00 N ATOM 1023 CA ILE A 70 3.056 -0.339 -6.721 1.00 0.00 C ATOM 1024 C ILE A 70 1.740 -1.042 -7.038 1.00 0.00 C ATOM 1025 O ILE A 70 0.662 -0.516 -6.764 1.00 0.00 O ATOM 1026 CB ILE A 70 3.514 -0.744 -5.308 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.583 0.225 -4.797 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.044 -2.171 -5.313 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.654 0.537 -5.819 1.00 0.00 C ATOM 0 H ILE A 70 3.319 1.636 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 70 3.813 -0.648 -7.442 1.00 0.00 H new ATOM 0 HB ILE A 70 2.657 -0.697 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.103 1.154 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.052 -0.199 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.364 -2.444 -4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.257 -2.850 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.891 -2.242 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.377 1.229 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.161 -0.384 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.197 0.991 -6.698 1.00 0.00 H new ATOM 1041 N GLN A 71 1.838 -2.235 -7.616 1.00 0.00 N ATOM 1042 CA GLN A 71 0.655 -3.012 -7.969 1.00 0.00 C ATOM 1043 C GLN A 71 -0.045 -3.535 -6.720 1.00 0.00 C ATOM 1044 O GLN A 71 -1.186 -3.993 -6.781 1.00 0.00 O ATOM 1045 CB GLN A 71 1.039 -4.179 -8.880 1.00 0.00 C ATOM 1046 CG GLN A 71 0.991 -3.836 -10.361 1.00 0.00 C ATOM 1047 CD GLN A 71 1.180 -5.051 -11.247 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.256 -5.649 -11.280 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.132 -5.423 -11.973 1.00 0.00 N ATOM 0 H GLN A 71 2.723 -2.684 -7.850 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.034 -2.356 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.045 -4.512 -8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.368 -5.016 -8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.034 -3.369 -10.591 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.766 -3.103 -10.586 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.741 -4.898 -11.915 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.200 -6.233 -12.589 1.00 0.00 H new ATOM 1058 N ALA A 72 0.646 -3.465 -5.587 1.00 0.00 N ATOM 1059 CA ALA A 72 0.090 -3.931 -4.322 1.00 0.00 C ATOM 1060 C ALA A 72 -0.549 -2.783 -3.548 1.00 0.00 C ATOM 1061 O ALA A 72 -1.231 -3.001 -2.545 1.00 0.00 O ATOM 1062 CB ALA A 72 1.170 -4.599 -3.484 1.00 0.00 C ATOM 0 H ALA A 72 1.592 -3.090 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.687 -4.663 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.740 -4.942 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.578 -5.451 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.967 -3.884 -3.280 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.323 -1.561 -4.017 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.877 -0.378 -3.368 1.00 0.00 C ATOM 1070 C LEU A 73 -2.107 0.128 -4.115 1.00 0.00 C ATOM 1071 O LEU A 73 -3.123 0.460 -3.504 1.00 0.00 O ATOM 1072 CB LEU A 73 0.179 0.727 -3.293 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.353 2.154 -3.154 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.108 2.318 -1.844 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.787 3.159 -3.243 1.00 0.00 C ATOM 0 H LEU A 73 0.240 -1.363 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.178 -0.655 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.833 0.520 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.794 0.676 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.045 2.344 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.479 3.340 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.948 1.624 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.439 2.108 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.390 4.169 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.503 2.969 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.285 3.060 -4.207 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.008 0.182 -5.438 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.113 0.645 -6.270 1.00 0.00 C ATOM 1089 C ASP A 74 -4.230 -0.394 -6.315 1.00 0.00 C ATOM 1090 O ASP A 74 -5.394 -0.060 -6.539 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.623 0.946 -7.686 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.426 2.044 -8.356 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.498 1.736 -8.918 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -2.983 3.211 -8.318 1.00 0.00 O ATOM 0 H ASP A 74 -1.174 -0.089 -5.958 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.509 1.560 -5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.574 1.238 -7.650 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.681 0.039 -8.288 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.868 -1.654 -6.101 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.839 -2.742 -6.119 1.00 0.00 C ATOM 1101 C LEU A 75 -5.472 -2.930 -4.743 1.00 0.00 C ATOM 1102 O LEU A 75 -6.331 -3.791 -4.556 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.169 -4.043 -6.566 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.808 -4.136 -8.049 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.092 -2.874 -8.504 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.948 -5.364 -8.312 1.00 0.00 C ATOM 0 H LEU A 75 -2.909 -1.947 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.625 -2.483 -6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.259 -4.179 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.832 -4.873 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.730 -4.233 -8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.843 -2.958 -9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.742 -2.012 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.177 -2.746 -7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.700 -5.415 -9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.030 -5.297 -7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.497 -6.261 -8.024 1.00 0.00 H new ATOM 1118 N SER A 76 -5.043 -2.115 -3.784 1.00 0.00 N ATOM 1119 CA SER A 76 -5.566 -2.192 -2.426 1.00 0.00 C ATOM 1120 C SER A 76 -6.312 -0.913 -2.057 1.00 0.00 C ATOM 1121 O SER A 76 -7.309 -0.947 -1.336 1.00 0.00 O ATOM 1122 CB SER A 76 -4.429 -2.437 -1.432 1.00 0.00 C ATOM 1123 OG SER A 76 -3.744 -1.233 -1.133 1.00 0.00 O ATOM 0 H SER A 76 -4.335 -1.394 -3.923 1.00 0.00 H new ATOM 0 HA SER A 76 -6.266 -3.026 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.830 -2.868 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.730 -3.163 -1.846 1.00 0.00 H new ATOM 0 HG SER A 76 -3.549 -0.752 -1.965 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.820 0.216 -2.559 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.439 1.507 -2.284 1.00 0.00 C ATOM 1131 C VAL A 77 -7.945 1.456 -2.520 1.00 0.00 C ATOM 1132 O VAL A 77 -8.745 1.840 -1.667 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.831 2.619 -3.160 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.795 3.788 -3.286 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.497 3.076 -2.589 1.00 0.00 C ATOM 0 H VAL A 77 -4.995 0.262 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.246 1.734 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.655 2.216 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.348 4.563 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.723 3.446 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.006 4.194 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.081 3.862 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.646 3.461 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.807 2.233 -2.557 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.342 0.971 -3.706 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.754 0.857 -4.082 1.00 0.00 C ATOM 1147 C PRO A 78 -10.480 -0.222 -3.286 1.00 0.00 C ATOM 1148 O PRO A 78 -11.658 -0.496 -3.523 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.697 0.480 -5.565 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.374 -0.183 -5.736 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.442 0.494 -4.770 1.00 0.00 C ATOM 0 HA PRO A 78 -10.304 1.776 -3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.513 -0.190 -5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.784 1.361 -6.201 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.443 -1.251 -5.528 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.016 -0.080 -6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.693 -0.197 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.904 1.317 -5.240 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.772 -0.832 -2.342 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.351 -1.882 -1.510 1.00 0.00 C ATOM 1161 C LEU A 79 -10.560 -1.390 -0.081 1.00 0.00 C ATOM 1162 O LEU A 79 -11.478 -1.832 0.609 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.447 -3.116 -1.510 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.091 -3.688 -2.882 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.423 -5.046 -2.738 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.334 -3.793 -3.754 1.00 0.00 C ATOM 0 H LEU A 79 -8.797 -0.618 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.321 -2.150 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.521 -2.863 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.934 -3.898 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.388 -3.010 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.177 -5.437 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.510 -4.942 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.102 -5.734 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.062 -4.202 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.060 -4.449 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.771 -2.803 -3.886 1.00 0.00 H new ATOM 1178 N MET A 80 -9.704 -0.472 0.355 1.00 0.00 N ATOM 1179 CA MET A 80 -9.798 0.082 1.701 1.00 0.00 C ATOM 1180 C MET A 80 -10.584 1.388 1.697 1.00 0.00 C ATOM 1181 O MET A 80 -10.604 2.109 0.699 1.00 0.00 O ATOM 1182 CB MET A 80 -8.400 0.315 2.278 1.00 0.00 C ATOM 1183 CG MET A 80 -7.562 1.288 1.465 1.00 0.00 C ATOM 1184 SD MET A 80 -5.792 0.989 1.634 1.00 0.00 S ATOM 1185 CE MET A 80 -5.528 1.476 3.337 1.00 0.00 C ATOM 0 H MET A 80 -8.938 -0.096 -0.204 1.00 0.00 H new ATOM 0 HA MET A 80 -10.326 -0.637 2.327 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.494 0.692 3.296 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.877 -0.639 2.339 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.841 1.212 0.414 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.786 2.307 1.781 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.031 2.446 3.365 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.488 1.545 3.849 1.00 0.00 H new ATOM 0 HE3 MET A 80 -4.904 0.734 3.835 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.231 1.687 2.818 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.019 2.908 2.944 1.00 0.00 C ATOM 1197 C ASP A 81 -11.152 4.066 3.429 1.00 0.00 C ATOM 1198 O ASP A 81 -10.057 3.860 3.951 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.186 2.690 3.907 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.071 1.531 3.493 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -13.679 0.370 3.736 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -15.153 1.784 2.924 1.00 0.00 O ATOM 0 H ASP A 81 -11.225 1.101 3.653 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.413 3.160 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.797 2.506 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.785 3.599 3.959 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.650 5.286 3.251 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.921 6.478 3.671 1.00 0.00 C ATOM 1209 C VAL A 82 -10.845 6.568 5.191 1.00 0.00 C ATOM 1210 O VAL A 82 -11.860 6.732 5.865 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.579 7.759 3.124 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -13.084 7.719 3.334 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.973 8.990 3.780 1.00 0.00 C ATOM 0 H VAL A 82 -12.555 5.475 2.819 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.913 6.393 3.264 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.388 7.815 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.531 8.632 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.501 6.858 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.301 7.638 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.449 9.886 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.131 8.943 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.904 9.024 3.571 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.632 6.460 5.724 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.444 6.533 7.161 1.00 0.00 C ATOM 1225 C GLY A 83 -9.141 5.181 7.775 1.00 0.00 C ATOM 1226 O GLY A 83 -9.142 5.033 8.997 1.00 0.00 O ATOM 0 H GLY A 83 -8.776 6.323 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.628 7.221 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.342 6.945 7.621 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.881 4.191 6.926 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.578 2.844 7.393 1.00 0.00 C ATOM 1232 C GLU A 84 -7.158 2.440 7.005 1.00 0.00 C ATOM 1233 O GLU A 84 -6.740 2.619 5.860 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.580 1.842 6.817 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.103 0.401 6.876 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.007 -0.545 6.110 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -9.829 -0.669 4.880 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -10.892 -1.161 6.740 1.00 0.00 O ATOM 0 H GLU A 84 -8.874 4.297 5.912 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.655 2.839 8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.520 1.927 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.788 2.105 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.093 0.340 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.049 0.083 7.917 1.00 0.00 H new ATOM 1245 N THR A 85 -6.420 1.895 7.967 1.00 0.00 N ATOM 1246 CA THR A 85 -5.047 1.467 7.727 1.00 0.00 C ATOM 1247 C THR A 85 -4.980 -0.027 7.436 1.00 0.00 C ATOM 1248 O THR A 85 -5.270 -0.852 8.303 1.00 0.00 O ATOM 1249 CB THR A 85 -4.142 1.786 8.932 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.289 3.160 9.306 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.684 1.498 8.604 1.00 0.00 C ATOM 0 H THR A 85 -6.750 1.740 8.920 1.00 0.00 H new ATOM 0 HA THR A 85 -4.690 2.019 6.858 1.00 0.00 H new ATOM 0 HB THR A 85 -4.444 1.150 9.764 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.712 3.354 10.074 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.064 1.731 9.469 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.570 0.445 8.348 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.373 2.112 7.759 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.595 -0.370 6.211 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.487 -1.767 5.807 1.00 0.00 C ATOM 1261 C ALA A 86 -3.099 -2.072 5.253 1.00 0.00 C ATOM 1262 O ALA A 86 -2.512 -1.257 4.543 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.555 -2.102 4.777 1.00 0.00 C ATOM 0 H ALA A 86 -4.353 0.300 5.481 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.642 -2.388 6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.463 -3.148 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.542 -1.931 5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.427 -1.467 3.900 1.00 0.00 H new ATOM 1269 N MET A 87 -2.581 -3.250 5.584 1.00 0.00 N ATOM 1270 CA MET A 87 -1.262 -3.663 5.118 1.00 0.00 C ATOM 1271 C MET A 87 -1.379 -4.652 3.963 1.00 0.00 C ATOM 1272 O MET A 87 -2.341 -5.415 3.881 1.00 0.00 O ATOM 1273 CB MET A 87 -0.466 -4.290 6.264 1.00 0.00 C ATOM 1274 CG MET A 87 0.793 -5.008 5.808 1.00 0.00 C ATOM 1275 SD MET A 87 1.890 -5.425 7.177 1.00 0.00 S ATOM 1276 CE MET A 87 2.555 -3.812 7.581 1.00 0.00 C ATOM 0 H MET A 87 -3.054 -3.935 6.173 1.00 0.00 H new ATOM 0 HA MET A 87 -0.736 -2.777 4.762 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.192 -3.510 6.975 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.105 -4.996 6.795 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.515 -5.920 5.280 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.328 -4.378 5.097 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.454 -3.930 8.186 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.803 -3.280 6.662 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.813 -3.242 8.141 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.392 -4.634 3.073 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.383 -5.530 1.923 1.00 0.00 C ATOM 1288 C VAL A 88 0.967 -6.222 1.775 1.00 0.00 C ATOM 1289 O VAL A 88 2.016 -5.578 1.826 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.706 -4.775 0.620 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.014 -4.011 0.756 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.433 -3.836 0.252 1.00 0.00 C ATOM 0 H VAL A 88 0.412 -4.008 3.126 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.154 -6.279 2.101 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.820 -5.503 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.226 -3.484 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.823 -4.710 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.932 -3.291 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.188 -3.311 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.581 -3.112 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.348 -4.412 0.110 1.00 0.00 H new ATOM 1302 N THR A 89 0.935 -7.538 1.590 1.00 0.00 N ATOM 1303 CA THR A 89 2.157 -8.318 1.435 1.00 0.00 C ATOM 1304 C THR A 89 2.097 -9.191 0.188 1.00 0.00 C ATOM 1305 O THR A 89 1.468 -10.249 0.189 1.00 0.00 O ATOM 1306 CB THR A 89 2.411 -9.213 2.663 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.250 -10.003 2.942 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.764 -8.373 3.881 1.00 0.00 C ATOM 0 H THR A 89 0.076 -8.086 1.544 1.00 0.00 H new ATOM 0 HA THR A 89 2.977 -7.606 1.337 1.00 0.00 H new ATOM 0 HB THR A 89 3.251 -9.870 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.955 -10.452 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.939 -9.027 4.736 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.665 -7.795 3.676 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.941 -7.694 4.106 1.00 0.00 H new ATOM 1316 N ALA A 90 2.755 -8.742 -0.876 1.00 0.00 N ATOM 1317 CA ALA A 90 2.778 -9.485 -2.130 1.00 0.00 C ATOM 1318 C ALA A 90 4.209 -9.776 -2.569 1.00 0.00 C ATOM 1319 O ALA A 90 5.159 -9.188 -2.051 1.00 0.00 O ATOM 1320 CB ALA A 90 2.039 -8.714 -3.213 1.00 0.00 C ATOM 0 H ALA A 90 3.279 -7.867 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 90 2.274 -10.438 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.064 -9.280 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.004 -8.561 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.519 -7.747 -3.363 1.00 0.00 H new ATOM 1326 N ASP A 91 4.356 -10.687 -3.524 1.00 0.00 N ATOM 1327 CA ASP A 91 5.672 -11.057 -4.033 1.00 0.00 C ATOM 1328 C ASP A 91 6.295 -9.905 -4.816 1.00 0.00 C ATOM 1329 O ASP A 91 5.600 -9.176 -5.525 1.00 0.00 O ATOM 1330 CB ASP A 91 5.569 -12.297 -4.921 1.00 0.00 C ATOM 1331 CG ASP A 91 6.861 -12.590 -5.659 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.755 -13.224 -5.061 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.978 -12.184 -6.835 1.00 0.00 O ATOM 0 H ASP A 91 3.580 -11.183 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 91 6.314 -11.283 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.301 -13.158 -4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.765 -12.157 -5.644 1.00 0.00 H new ATOM 1338 N SER A 92 7.608 -9.747 -4.683 1.00 0.00 N ATOM 1339 CA SER A 92 8.323 -8.681 -5.374 1.00 0.00 C ATOM 1340 C SER A 92 7.709 -8.415 -6.745 1.00 0.00 C ATOM 1341 O SER A 92 7.659 -7.274 -7.205 1.00 0.00 O ATOM 1342 CB SER A 92 9.801 -9.046 -5.526 1.00 0.00 C ATOM 1343 OG SER A 92 10.560 -7.929 -5.958 1.00 0.00 O ATOM 0 H SER A 92 8.198 -10.344 -4.103 1.00 0.00 H new ATOM 0 HA SER A 92 8.240 -7.773 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.189 -9.407 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.906 -9.860 -6.243 1.00 0.00 H new ATOM 0 HG SER A 92 11.501 -8.187 -6.046 1.00 0.00 H new ATOM 1349 N LYS A 93 7.244 -9.477 -7.394 1.00 0.00 N ATOM 1350 CA LYS A 93 6.632 -9.361 -8.712 1.00 0.00 C ATOM 1351 C LYS A 93 5.644 -8.199 -8.753 1.00 0.00 C ATOM 1352 O LYS A 93 5.693 -7.361 -9.653 1.00 0.00 O ATOM 1353 CB LYS A 93 5.919 -10.663 -9.083 1.00 0.00 C ATOM 1354 CG LYS A 93 4.766 -11.010 -8.157 1.00 0.00 C ATOM 1355 CD LYS A 93 4.407 -12.484 -8.241 1.00 0.00 C ATOM 1356 CE LYS A 93 3.597 -12.791 -9.492 1.00 0.00 C ATOM 1357 NZ LYS A 93 3.829 -14.180 -9.976 1.00 0.00 N ATOM 0 H LYS A 93 7.279 -10.428 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 93 7.423 -9.168 -9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.544 -10.584 -10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.641 -11.479 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.034 -10.758 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.896 -10.407 -8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.318 -13.082 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.837 -12.771 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.537 -12.652 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.861 -12.084 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.259 -14.350 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.836 -14.305 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.553 -14.856 -9.236 1.00 0.00 H new ATOM 1371 N TYR A 94 4.748 -8.155 -7.773 1.00 0.00 N ATOM 1372 CA TYR A 94 3.748 -7.097 -7.698 1.00 0.00 C ATOM 1373 C TYR A 94 4.359 -5.808 -7.156 1.00 0.00 C ATOM 1374 O TYR A 94 3.860 -4.713 -7.418 1.00 0.00 O ATOM 1375 CB TYR A 94 2.580 -7.532 -6.812 1.00 0.00 C ATOM 1376 CG TYR A 94 1.844 -8.746 -7.333 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.002 -8.653 -8.434 1.00 0.00 C ATOM 1378 CD2 TYR A 94 1.991 -9.987 -6.724 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.327 -9.759 -8.913 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.321 -11.098 -7.197 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.491 -10.979 -8.292 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.179 -12.084 -8.766 1.00 0.00 O ATOM 0 H TYR A 94 4.694 -8.840 -7.019 1.00 0.00 H new ATOM 0 HA TYR A 94 3.380 -6.908 -8.706 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.954 -7.746 -5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.877 -6.704 -6.719 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.873 -7.699 -8.924 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.640 -10.084 -5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.325 -9.669 -9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.446 -12.055 -6.712 1.00 0.00 H new ATOM 0 HH TYR A 94 0.047 -12.864 -8.217 1.00 0.00 H new ATOM 1392 N CYS A 95 5.442 -5.947 -6.400 1.00 0.00 N ATOM 1393 CA CYS A 95 6.123 -4.794 -5.820 1.00 0.00 C ATOM 1394 C CYS A 95 6.852 -3.996 -6.896 1.00 0.00 C ATOM 1395 O CYS A 95 6.461 -2.875 -7.224 1.00 0.00 O ATOM 1396 CB CYS A 95 7.112 -5.247 -4.745 1.00 0.00 C ATOM 1397 SG CYS A 95 6.371 -6.250 -3.436 1.00 0.00 S ATOM 0 H CYS A 95 5.868 -6.846 -6.174 1.00 0.00 H new ATOM 0 HA CYS A 95 5.371 -4.151 -5.363 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.910 -5.819 -5.218 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.573 -4.367 -4.297 1.00 0.00 H new ATOM 0 HG CYS A 95 7.310 -6.761 -2.697 1.00 0.00 H new ATOM 1403 N TYR A 96 7.914 -4.579 -7.440 1.00 0.00 N ATOM 1404 CA TYR A 96 8.702 -3.921 -8.475 1.00 0.00 C ATOM 1405 C TYR A 96 8.891 -4.837 -9.680 1.00 0.00 C ATOM 1406 O TYR A 96 9.013 -4.374 -10.814 1.00 0.00 O ATOM 1407 CB TYR A 96 10.064 -3.500 -7.920 1.00 0.00 C ATOM 1408 CG TYR A 96 9.984 -2.390 -6.897 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.840 -1.065 -7.291 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.055 -2.665 -5.537 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.767 -0.047 -6.360 1.00 0.00 C ATOM 1412 CE2 TYR A 96 9.982 -1.654 -4.599 1.00 0.00 C ATOM 1413 CZ TYR A 96 9.839 -0.346 -5.015 1.00 0.00 C ATOM 1414 OH TYR A 96 9.767 0.664 -4.084 1.00 0.00 O ATOM 0 H TYR A 96 8.249 -5.507 -7.181 1.00 0.00 H new ATOM 0 HA TYR A 96 8.160 -3.032 -8.799 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.546 -4.366 -7.467 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.699 -3.177 -8.745 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.784 -0.827 -8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.169 -3.687 -5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.654 0.977 -6.683 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.037 -1.886 -3.546 1.00 0.00 H new ATOM 0 HH TYR A 96 8.985 1.225 -4.270 1.00 0.00 H new ATOM 1424 N GLY A 97 8.914 -6.142 -9.426 1.00 0.00 N ATOM 1425 CA GLY A 97 9.089 -7.103 -10.498 1.00 0.00 C ATOM 1426 C GLY A 97 10.280 -8.014 -10.272 1.00 0.00 C ATOM 1427 O GLY A 97 11.177 -7.714 -9.484 1.00 0.00 O ATOM 0 H GLY A 97 8.814 -6.550 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.186 -7.707 -10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.216 -6.571 -11.441 1.00 0.00 H new ATOM 1431 N PRO A 98 10.297 -9.157 -10.974 1.00 0.00 N ATOM 1432 CA PRO A 98 11.380 -10.138 -10.863 1.00 0.00 C ATOM 1433 C PRO A 98 12.686 -9.632 -11.467 1.00 0.00 C ATOM 1434 O PRO A 98 13.692 -10.340 -11.473 1.00 0.00 O ATOM 1435 CB PRO A 98 10.855 -11.339 -11.654 1.00 0.00 C ATOM 1436 CG PRO A 98 9.887 -10.757 -12.625 1.00 0.00 C ATOM 1437 CD PRO A 98 9.261 -9.579 -11.932 1.00 0.00 C ATOM 0 HA PRO A 98 11.617 -10.366 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.664 -11.861 -12.165 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.372 -12.064 -10.999 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.391 -10.448 -13.541 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.131 -11.489 -12.909 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.016 -8.783 -12.635 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.335 -9.855 -11.427 1.00 0.00 H new ATOM 1445 N GLN A 99 12.661 -8.404 -11.974 1.00 0.00 N ATOM 1446 CA GLN A 99 13.843 -7.804 -12.581 1.00 0.00 C ATOM 1447 C GLN A 99 14.553 -6.882 -11.595 1.00 0.00 C ATOM 1448 O GLN A 99 15.767 -6.696 -11.667 1.00 0.00 O ATOM 1449 CB GLN A 99 13.457 -7.025 -13.839 1.00 0.00 C ATOM 1450 CG GLN A 99 12.487 -5.884 -13.575 1.00 0.00 C ATOM 1451 CD GLN A 99 12.556 -4.802 -14.634 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.608 -4.567 -15.230 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.433 -4.136 -14.874 1.00 0.00 N ATOM 0 H GLN A 99 11.835 -7.805 -11.977 1.00 0.00 H new ATOM 0 HA GLN A 99 14.527 -8.607 -12.856 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.360 -6.624 -14.299 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.010 -7.711 -14.558 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.472 -6.278 -13.530 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.703 -5.447 -12.600 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.584 -4.364 -14.356 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.419 -3.396 -15.576 1.00 0.00 H new ATOM 1462 N GLY A 100 13.786 -6.306 -10.674 1.00 0.00 N ATOM 1463 CA GLY A 100 14.360 -5.410 -9.687 1.00 0.00 C ATOM 1464 C GLY A 100 13.850 -3.989 -9.829 1.00 0.00 C ATOM 1465 O GLY A 100 13.056 -3.693 -10.722 1.00 0.00 O ATOM 0 H GLY A 100 12.779 -6.444 -10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.128 -5.778 -8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.446 -5.415 -9.784 1.00 0.00 H new ATOM 1469 N SER A 101 14.306 -3.108 -8.944 1.00 0.00 N ATOM 1470 CA SER A 101 13.886 -1.711 -8.971 1.00 0.00 C ATOM 1471 C SER A 101 15.096 -0.781 -8.988 1.00 0.00 C ATOM 1472 O SER A 101 16.237 -1.227 -8.872 1.00 0.00 O ATOM 1473 CB SER A 101 13.004 -1.398 -7.761 1.00 0.00 C ATOM 1474 OG SER A 101 12.257 -0.212 -7.968 1.00 0.00 O ATOM 0 H SER A 101 14.966 -3.336 -8.200 1.00 0.00 H new ATOM 0 HA SER A 101 13.311 -1.547 -9.882 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.326 -2.231 -7.576 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.626 -1.290 -6.872 1.00 0.00 H new ATOM 0 HG SER A 101 11.478 -0.208 -7.374 1.00 0.00 H new ATOM 1480 N ARG A 102 14.836 0.514 -9.132 1.00 0.00 N ATOM 1481 CA ARG A 102 15.902 1.508 -9.165 1.00 0.00 C ATOM 1482 C ARG A 102 15.961 2.286 -7.853 1.00 0.00 C ATOM 1483 O ARG A 102 14.987 2.329 -7.102 1.00 0.00 O ATOM 1484 CB ARG A 102 15.693 2.473 -10.333 1.00 0.00 C ATOM 1485 CG ARG A 102 15.611 1.784 -11.686 1.00 0.00 C ATOM 1486 CD ARG A 102 16.994 1.477 -12.239 1.00 0.00 C ATOM 1487 NE ARG A 102 17.663 2.677 -12.735 1.00 0.00 N ATOM 1488 CZ ARG A 102 18.977 2.766 -12.910 1.00 0.00 C ATOM 1489 NH1 ARG A 102 19.758 1.732 -12.630 1.00 0.00 N ATOM 1490 NH2 ARG A 102 19.512 3.892 -13.365 1.00 0.00 N ATOM 0 H ARG A 102 13.897 0.900 -9.228 1.00 0.00 H new ATOM 0 HA ARG A 102 16.848 0.984 -9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 102 14.776 3.038 -10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.512 3.192 -10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.042 0.859 -11.591 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.070 2.420 -12.387 1.00 0.00 H new ATOM 0 HD2 ARG A 102 17.603 1.018 -11.460 1.00 0.00 H new ATOM 0 HD3 ARG A 102 16.909 0.750 -13.046 1.00 0.00 H new ATOM 0 HE ARG A 102 17.090 3.491 -12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 102 19.350 0.865 -12.279 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.766 1.803 -12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 102 18.914 4.690 -13.581 1.00 0.00 H new ATOM 0 HH22 ARG A 102 20.521 3.960 -13.499 1.00 0.00 H new ATOM 1504 N SER A 103 17.110 2.897 -7.585 1.00 0.00 N ATOM 1505 CA SER A 103 17.298 3.669 -6.363 1.00 0.00 C ATOM 1506 C SER A 103 15.980 4.280 -5.898 1.00 0.00 C ATOM 1507 O SER A 103 15.429 5.184 -6.528 1.00 0.00 O ATOM 1508 CB SER A 103 18.334 4.773 -6.585 1.00 0.00 C ATOM 1509 OG SER A 103 19.606 4.225 -6.889 1.00 0.00 O ATOM 0 H SER A 103 17.925 2.872 -8.198 1.00 0.00 H new ATOM 0 HA SER A 103 17.659 2.993 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.010 5.422 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.406 5.394 -5.692 1.00 0.00 H new ATOM 0 HG SER A 103 20.250 4.950 -7.028 1.00 0.00 H new ATOM 1515 N PRO A 104 15.461 3.777 -4.769 1.00 0.00 N ATOM 1516 CA PRO A 104 16.107 2.701 -4.011 1.00 0.00 C ATOM 1517 C PRO A 104 16.059 1.365 -4.745 1.00 0.00 C ATOM 1518 O PRO A 104 14.996 0.923 -5.180 1.00 0.00 O ATOM 1519 CB PRO A 104 15.286 2.633 -2.721 1.00 0.00 C ATOM 1520 CG PRO A 104 13.948 3.172 -3.094 1.00 0.00 C ATOM 1521 CD PRO A 104 14.202 4.218 -4.144 1.00 0.00 C ATOM 0 HA PRO A 104 17.167 2.897 -3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 104 15.212 1.610 -2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.744 3.225 -1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 104 13.302 2.382 -3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 104 13.445 3.602 -2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 104 13.389 4.266 -4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 104 14.297 5.212 -3.706 1.00 0.00 H new ATOM 1529 N TYR A 105 17.217 0.727 -4.878 1.00 0.00 N ATOM 1530 CA TYR A 105 17.307 -0.558 -5.561 1.00 0.00 C ATOM 1531 C TYR A 105 16.722 -1.674 -4.701 1.00 0.00 C ATOM 1532 O TYR A 105 16.793 -1.628 -3.473 1.00 0.00 O ATOM 1533 CB TYR A 105 18.763 -0.875 -5.906 1.00 0.00 C ATOM 1534 CG TYR A 105 18.958 -2.251 -6.501 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.871 -3.390 -5.710 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.232 -2.413 -7.854 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.049 -4.649 -6.248 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.410 -3.669 -8.401 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.318 -4.784 -7.594 1.00 0.00 C ATOM 1540 OH TYR A 105 19.497 -6.036 -8.136 1.00 0.00 O ATOM 0 H TYR A 105 18.106 1.079 -4.522 1.00 0.00 H new ATOM 0 HA TYR A 105 16.728 -0.492 -6.482 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.132 -0.129 -6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.368 -0.789 -5.004 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.660 -3.289 -4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.307 -1.542 -8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 105 18.978 -5.523 -5.618 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.620 -3.777 -9.455 1.00 0.00 H new ATOM 0 HH TYR A 105 19.677 -5.954 -9.096 1.00 0.00 H new ATOM 1550 N ILE A 106 16.145 -2.676 -5.356 1.00 0.00 N ATOM 1551 CA ILE A 106 15.549 -3.805 -4.653 1.00 0.00 C ATOM 1552 C ILE A 106 15.805 -5.112 -5.395 1.00 0.00 C ATOM 1553 O ILE A 106 15.733 -5.182 -6.622 1.00 0.00 O ATOM 1554 CB ILE A 106 14.031 -3.618 -4.472 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.295 -3.961 -5.770 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.719 -2.193 -4.042 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.903 -5.418 -5.875 1.00 0.00 C ATOM 0 H ILE A 106 16.078 -2.729 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 106 16.020 -3.850 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 106 13.688 -4.296 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.398 -3.346 -5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.930 -3.702 -6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.642 -2.078 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.217 -1.981 -3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.073 -1.498 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.386 -5.589 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.798 -6.039 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.243 -5.678 -5.048 1.00 0.00 H new ATOM 1569 N PRO A 107 16.109 -6.174 -4.635 1.00 0.00 N ATOM 1570 CA PRO A 107 16.379 -7.500 -5.199 1.00 0.00 C ATOM 1571 C PRO A 107 15.127 -8.150 -5.778 1.00 0.00 C ATOM 1572 O PRO A 107 14.018 -7.974 -5.275 1.00 0.00 O ATOM 1573 CB PRO A 107 16.890 -8.299 -3.998 1.00 0.00 C ATOM 1574 CG PRO A 107 16.295 -7.622 -2.812 1.00 0.00 C ATOM 1575 CD PRO A 107 16.212 -6.163 -3.166 1.00 0.00 C ATOM 0 HA PRO A 107 17.084 -7.454 -6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.580 -9.342 -4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.979 -8.293 -3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.308 -8.026 -2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.911 -7.774 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.346 -5.686 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.093 -5.617 -2.829 1.00 0.00 H new ATOM 1583 N PRO A 108 15.307 -8.920 -6.862 1.00 0.00 N ATOM 1584 CA PRO A 108 14.202 -9.613 -7.532 1.00 0.00 C ATOM 1585 C PRO A 108 13.639 -10.754 -6.692 1.00 0.00 C ATOM 1586 O PRO A 108 14.337 -11.322 -5.851 1.00 0.00 O ATOM 1587 CB PRO A 108 14.848 -10.156 -8.809 1.00 0.00 C ATOM 1588 CG PRO A 108 16.293 -10.290 -8.476 1.00 0.00 C ATOM 1589 CD PRO A 108 16.602 -9.175 -7.515 1.00 0.00 C ATOM 0 HA PRO A 108 13.355 -8.951 -7.714 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.417 -11.116 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.697 -9.477 -9.648 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.502 -11.261 -8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.909 -10.214 -9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.366 -9.466 -6.794 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.973 -8.290 -8.032 1.00 0.00 H new ATOM 1597 N HIS A 109 12.374 -11.087 -6.927 1.00 0.00 N ATOM 1598 CA HIS A 109 11.717 -12.163 -6.192 1.00 0.00 C ATOM 1599 C HIS A 109 11.881 -11.972 -4.687 1.00 0.00 C ATOM 1600 O HIS A 109 11.914 -12.940 -3.929 1.00 0.00 O ATOM 1601 CB HIS A 109 12.289 -13.518 -6.611 1.00 0.00 C ATOM 1602 CG HIS A 109 12.393 -13.690 -8.095 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.477 -13.786 -8.901 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 11.293 -13.782 -8.922 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 13.016 -13.934 -10.186 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.695 -13.929 -10.172 1.00 0.00 N flip ATOM 0 H HIS A 109 11.783 -10.628 -7.620 1.00 0.00 H new ATOM 0 HA HIS A 109 10.654 -12.136 -6.430 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.278 -13.638 -6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.660 -14.310 -6.205 1.00 0.00 H new ATOM 0 HD1 HIS A 109 14.454 -13.754 -8.608 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.264 -13.740 -8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.634 -14.038 -11.066 1.00 0.00 H new ATOM 1615 N ALA A 110 11.985 -10.716 -4.263 1.00 0.00 N ATOM 1616 CA ALA A 110 12.144 -10.399 -2.849 1.00 0.00 C ATOM 1617 C ALA A 110 10.891 -9.732 -2.292 1.00 0.00 C ATOM 1618 O ALA A 110 10.614 -8.569 -2.581 1.00 0.00 O ATOM 1619 CB ALA A 110 13.357 -9.503 -2.643 1.00 0.00 C ATOM 0 H ALA A 110 11.962 -9.903 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 110 12.298 -11.332 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.464 -9.274 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.252 -10.015 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.225 -8.577 -3.203 1.00 0.00 H new ATOM 1625 N ALA A 111 10.136 -10.478 -1.491 1.00 0.00 N ATOM 1626 CA ALA A 111 8.913 -9.958 -0.892 1.00 0.00 C ATOM 1627 C ALA A 111 9.177 -8.653 -0.149 1.00 0.00 C ATOM 1628 O ALA A 111 10.298 -8.392 0.290 1.00 0.00 O ATOM 1629 CB ALA A 111 8.307 -10.989 0.048 1.00 0.00 C ATOM 0 H ALA A 111 10.350 -11.444 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 111 8.204 -9.752 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.394 -10.588 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 111 8.073 -11.896 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.019 -11.223 0.839 1.00 0.00 H new ATOM 1635 N LEU A 112 8.140 -7.835 -0.013 1.00 0.00 N ATOM 1636 CA LEU A 112 8.260 -6.555 0.677 1.00 0.00 C ATOM 1637 C LEU A 112 6.943 -6.171 1.346 1.00 0.00 C ATOM 1638 O LEU A 112 5.872 -6.307 0.754 1.00 0.00 O ATOM 1639 CB LEU A 112 8.683 -5.462 -0.305 1.00 0.00 C ATOM 1640 CG LEU A 112 10.026 -5.673 -1.006 1.00 0.00 C ATOM 1641 CD1 LEU A 112 10.046 -4.957 -2.348 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.169 -5.191 -0.125 1.00 0.00 C ATOM 0 H LEU A 112 7.206 -8.035 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 112 9.023 -6.657 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.909 -5.366 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.721 -4.514 0.232 1.00 0.00 H new ATOM 0 HG LEU A 112 10.157 -6.740 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.009 -5.118 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.251 -5.350 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.892 -3.889 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.117 -5.349 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.043 -4.129 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.167 -5.749 0.811 1.00 0.00 H new ATOM 1654 N CYS A 113 7.032 -5.691 2.581 1.00 0.00 N ATOM 1655 CA CYS A 113 5.848 -5.286 3.330 1.00 0.00 C ATOM 1656 C CYS A 113 5.481 -3.837 3.025 1.00 0.00 C ATOM 1657 O CYS A 113 6.324 -2.942 3.102 1.00 0.00 O ATOM 1658 CB CYS A 113 6.084 -5.459 4.831 1.00 0.00 C ATOM 1659 SG CYS A 113 6.828 -4.020 5.633 1.00 0.00 S ATOM 0 H CYS A 113 7.911 -5.573 3.085 1.00 0.00 H new ATOM 0 HA CYS A 113 5.019 -5.924 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 113 5.132 -5.679 5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 113 6.729 -6.323 4.989 1.00 0.00 H new ATOM 0 HG CYS A 113 6.967 -3.063 4.764 1.00 0.00 H new ATOM 1665 N LEU A 114 4.218 -3.613 2.678 1.00 0.00 N ATOM 1666 CA LEU A 114 3.739 -2.272 2.360 1.00 0.00 C ATOM 1667 C LEU A 114 2.483 -1.939 3.159 1.00 0.00 C ATOM 1668 O LEU A 114 1.453 -2.598 3.017 1.00 0.00 O ATOM 1669 CB LEU A 114 3.451 -2.155 0.862 1.00 0.00 C ATOM 1670 CG LEU A 114 4.497 -2.764 -0.072 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.064 -2.620 -1.523 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.854 -2.111 0.148 1.00 0.00 C ATOM 0 H LEU A 114 3.508 -4.342 2.610 1.00 0.00 H new ATOM 0 HA LEU A 114 4.518 -1.560 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.491 -2.630 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.343 -1.099 0.615 1.00 0.00 H new ATOM 0 HG LEU A 114 4.586 -3.826 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.820 -3.059 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.114 -3.134 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.946 -1.564 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.586 -2.557 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.780 -1.042 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.169 -2.265 1.180 1.00 0.00 H new ATOM 1684 N GLU A 115 2.576 -0.910 3.996 1.00 0.00 N ATOM 1685 CA GLU A 115 1.446 -0.489 4.816 1.00 0.00 C ATOM 1686 C GLU A 115 0.737 0.709 4.191 1.00 0.00 C ATOM 1687 O GLU A 115 1.278 1.814 4.150 1.00 0.00 O ATOM 1688 CB GLU A 115 1.915 -0.137 6.229 1.00 0.00 C ATOM 1689 CG GLU A 115 0.791 -0.086 7.249 1.00 0.00 C ATOM 1690 CD GLU A 115 1.244 0.455 8.591 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.226 -0.081 9.145 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.618 1.415 9.086 1.00 0.00 O ATOM 0 H GLU A 115 3.421 -0.353 4.124 1.00 0.00 H new ATOM 0 HA GLU A 115 0.741 -1.319 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.653 -0.871 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.417 0.830 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.016 0.538 6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.383 -1.088 7.384 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.479 0.482 3.703 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.263 1.541 3.080 1.00 0.00 C ATOM 1701 C VAL A 116 -2.165 2.229 4.099 1.00 0.00 C ATOM 1702 O VAL A 116 -2.812 1.573 4.916 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.131 0.995 1.930 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.627 2.132 1.050 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.351 -0.023 1.112 1.00 0.00 C ATOM 0 H VAL A 116 -0.942 -0.426 3.727 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.554 2.265 2.678 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.999 0.494 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.238 1.728 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.224 2.821 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.774 2.664 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.979 -0.399 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.464 0.451 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -1.051 -0.852 1.753 1.00 0.00 H new ATOM 1715 N THR A 117 -2.202 3.557 4.047 1.00 0.00 N ATOM 1716 CA THR A 117 -3.023 4.335 4.965 1.00 0.00 C ATOM 1717 C THR A 117 -3.788 5.429 4.228 1.00 0.00 C ATOM 1718 O THR A 117 -3.250 6.504 3.961 1.00 0.00 O ATOM 1719 CB THR A 117 -2.170 4.980 6.074 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.312 3.998 6.665 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.053 5.600 7.146 1.00 0.00 C ATOM 0 H THR A 117 -1.672 4.116 3.378 1.00 0.00 H new ATOM 0 HA THR A 117 -3.732 3.642 5.418 1.00 0.00 H new ATOM 0 HB THR A 117 -1.565 5.768 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.772 4.416 7.368 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.428 6.049 7.918 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.684 6.368 6.698 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.681 4.828 7.591 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.045 5.148 3.902 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.884 6.109 3.195 1.00 0.00 C ATOM 1731 C LEU A 118 -6.216 7.302 4.086 1.00 0.00 C ATOM 1732 O LEU A 118 -7.063 7.211 4.975 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.175 5.438 2.722 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.794 6.000 1.442 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.355 7.392 1.687 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.766 6.026 0.320 1.00 0.00 C ATOM 0 H LEU A 118 -5.505 4.263 4.116 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.329 6.469 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.975 4.377 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.913 5.511 3.521 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.614 5.349 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.791 7.776 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.123 7.344 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.554 8.055 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.224 6.429 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.925 6.655 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.412 5.013 0.127 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.543 8.421 3.842 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.767 9.635 4.619 1.00 0.00 C ATOM 1750 C LYS A 119 -6.911 10.454 4.030 1.00 0.00 C ATOM 1751 O LYS A 119 -7.905 10.727 4.704 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.491 10.478 4.665 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.220 9.654 4.763 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.241 8.738 5.976 1.00 0.00 C ATOM 1755 CE LYS A 119 -2.654 9.422 7.201 1.00 0.00 C ATOM 1756 NZ LYS A 119 -3.693 10.143 7.987 1.00 0.00 N ATOM 0 H LYS A 119 -4.837 8.513 3.112 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.038 9.343 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.443 11.099 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.543 11.153 5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.101 9.058 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.358 10.319 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.266 8.432 6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.676 7.831 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.170 8.679 7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.882 10.125 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.372 11.114 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.580 10.172 7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.853 9.648 8.887 1.00 0.00 H new ATOM 1770 N THR A 120 -6.764 10.844 2.767 1.00 0.00 N ATOM 1771 CA THR A 120 -7.785 11.632 2.087 1.00 0.00 C ATOM 1772 C THR A 120 -7.784 11.357 0.588 1.00 0.00 C ATOM 1773 O THR A 120 -6.740 11.077 0.000 1.00 0.00 O ATOM 1774 CB THR A 120 -7.578 13.141 2.322 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.332 13.558 1.753 1.00 0.00 O ATOM 1776 CG2 THR A 120 -7.597 13.465 3.808 1.00 0.00 C ATOM 0 H THR A 120 -5.948 10.627 2.195 1.00 0.00 H new ATOM 0 HA THR A 120 -8.746 11.335 2.507 1.00 0.00 H new ATOM 0 HB THR A 120 -8.395 13.677 1.840 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.208 14.518 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.449 14.536 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 120 -8.558 13.173 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.798 12.919 4.310 1.00 0.00 H new ATOM 1784 N ALA A 121 -8.960 11.440 -0.025 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.094 11.203 -1.457 1.00 0.00 C ATOM 1786 C ALA A 121 -9.917 12.302 -2.121 1.00 0.00 C ATOM 1787 O ALA A 121 -11.131 12.380 -1.935 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.725 9.842 -1.710 1.00 0.00 C ATOM 0 H ALA A 121 -9.834 11.670 0.448 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.097 11.216 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.819 9.678 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.096 9.063 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.713 9.808 -1.250 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.248 13.150 -2.896 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.918 14.244 -3.588 1.00 0.00 C ATOM 1796 C VAL A 122 -9.405 14.387 -5.017 1.00 0.00 C ATOM 1797 O VAL A 122 -8.450 13.719 -5.414 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.722 15.580 -2.848 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -10.409 15.546 -1.491 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.240 15.892 -2.697 1.00 0.00 C ATOM 0 H VAL A 122 -8.243 13.100 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.980 14.001 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.179 16.373 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.259 16.499 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.476 15.372 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.984 14.743 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -8.119 16.840 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.757 15.098 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.781 15.963 -3.683 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.045 15.262 -5.784 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.653 15.494 -7.169 1.00 0.00 C ATOM 1812 C ASP A 123 -8.526 16.519 -7.251 1.00 0.00 C ATOM 1813 O ASP A 123 -7.642 16.418 -8.102 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.853 15.971 -7.988 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.612 15.872 -9.482 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -9.878 16.726 -10.023 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.156 14.940 -10.110 1.00 0.00 O ATOM 0 H ASP A 123 -10.837 15.822 -5.470 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.293 14.551 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.728 15.377 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.079 17.005 -7.727 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.565 17.505 -6.361 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.548 18.550 -6.333 1.00 0.00 C ATOM 1824 C ARG A 124 -6.162 17.953 -6.108 1.00 0.00 C ATOM 1825 O ARG A 124 -5.983 17.007 -5.340 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.862 19.567 -5.235 1.00 0.00 C ATOM 1827 CG ARG A 124 -8.942 20.566 -5.621 1.00 0.00 C ATOM 1828 CD ARG A 124 -9.571 21.207 -4.394 1.00 0.00 C ATOM 1829 NE ARG A 124 -10.963 21.582 -4.625 1.00 0.00 N ATOM 1830 CZ ARG A 124 -11.330 22.702 -5.238 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -10.413 23.553 -5.678 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -12.617 22.974 -5.411 1.00 0.00 N ATOM 0 H ARG A 124 -9.290 17.602 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.555 19.055 -7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.176 19.035 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -6.951 20.109 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.513 21.340 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.712 20.063 -6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.517 20.513 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.999 22.092 -4.114 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.693 20.950 -4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.422 23.349 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.698 24.412 -6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.326 22.323 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.898 23.834 -5.882 1.00 0.00 H new ATOM 1846 N PRO A 125 -5.156 18.518 -6.792 1.00 0.00 N ATOM 1847 CA PRO A 125 -3.768 18.058 -6.683 1.00 0.00 C ATOM 1848 C PRO A 125 -3.156 18.381 -5.325 1.00 0.00 C ATOM 1849 O PRO A 125 -3.678 19.210 -4.579 1.00 0.00 O ATOM 1850 CB PRO A 125 -3.050 18.832 -7.791 1.00 0.00 C ATOM 1851 CG PRO A 125 -3.874 20.058 -7.992 1.00 0.00 C ATOM 1852 CD PRO A 125 -5.296 19.649 -7.724 1.00 0.00 C ATOM 0 HA PRO A 125 -3.688 16.975 -6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -2.030 19.084 -7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.985 18.244 -8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -3.562 20.853 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.763 20.441 -9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.872 20.463 -7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.809 19.354 -8.640 1.00 0.00 H new ATOM 1860 N ASP A 126 -2.045 17.723 -5.010 1.00 0.00 N ATOM 1861 CA ASP A 126 -1.361 17.942 -3.741 1.00 0.00 C ATOM 1862 C ASP A 126 0.078 18.396 -3.971 1.00 0.00 C ATOM 1863 O ASP A 126 0.556 19.329 -3.325 1.00 0.00 O ATOM 1864 CB ASP A 126 -1.377 16.664 -2.901 1.00 0.00 C ATOM 1865 CG ASP A 126 -0.886 16.895 -1.486 1.00 0.00 C ATOM 1866 OD1 ASP A 126 0.345 16.885 -1.275 1.00 0.00 O ATOM 1867 OD2 ASP A 126 -1.733 17.085 -0.588 1.00 0.00 O ATOM 0 H ASP A 126 -1.599 17.034 -5.616 1.00 0.00 H new ATOM 0 HA ASP A 126 -1.890 18.728 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -2.391 16.266 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.753 15.910 -3.380 1.00 0.00 H new ATOM 1872 N LEU A 127 0.762 17.730 -4.894 1.00 0.00 N ATOM 1873 CA LEU A 127 2.147 18.064 -5.209 1.00 0.00 C ATOM 1874 C LEU A 127 2.222 19.326 -6.064 1.00 0.00 C ATOM 1875 O LEU A 127 1.987 19.283 -7.271 1.00 0.00 O ATOM 1876 CB LEU A 127 2.820 16.900 -5.938 1.00 0.00 C ATOM 1877 CG LEU A 127 4.338 16.798 -5.782 1.00 0.00 C ATOM 1878 CD1 LEU A 127 4.749 17.111 -4.352 1.00 0.00 C ATOM 1879 CD2 LEU A 127 4.824 15.414 -6.188 1.00 0.00 C ATOM 0 H LEU A 127 0.381 16.956 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 127 2.672 18.250 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 127 2.375 15.970 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 127 2.589 16.980 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 127 4.802 17.532 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 127 5.832 17.034 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 127 4.434 18.123 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 127 4.275 16.401 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 127 5.906 15.360 -6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 127 4.352 14.662 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.562 15.227 -7.230 1.00 0.00 H new ATOM 1891 N GLU A 128 2.552 20.446 -5.429 1.00 0.00 N ATOM 1892 CA GLU A 128 2.659 21.719 -6.132 1.00 0.00 C ATOM 1893 C GLU A 128 4.120 22.086 -6.373 1.00 0.00 C ATOM 1894 O GLU A 128 4.854 22.403 -5.437 1.00 0.00 O ATOM 1895 CB GLU A 128 1.968 22.827 -5.335 1.00 0.00 C ATOM 1896 CG GLU A 128 0.455 22.827 -5.477 1.00 0.00 C ATOM 1897 CD GLU A 128 -0.011 23.510 -6.748 1.00 0.00 C ATOM 1898 OE1 GLU A 128 0.512 23.173 -7.830 1.00 0.00 O ATOM 1899 OE2 GLU A 128 -0.901 24.382 -6.660 1.00 0.00 O ATOM 0 H GLU A 128 2.750 20.498 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 128 2.165 21.614 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.225 22.719 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.355 23.793 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 128 0.093 21.799 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.013 23.329 -4.616 1.00 0.00 H new ATOM 1906 N MET A 129 4.536 22.039 -7.635 1.00 0.00 N ATOM 1907 CA MET A 129 5.909 22.367 -7.999 1.00 0.00 C ATOM 1908 C MET A 129 5.950 23.568 -8.939 1.00 0.00 C ATOM 1909 O MET A 129 6.714 23.588 -9.904 1.00 0.00 O ATOM 1910 CB MET A 129 6.585 21.165 -8.661 1.00 0.00 C ATOM 1911 CG MET A 129 8.099 21.286 -8.739 1.00 0.00 C ATOM 1912 SD MET A 129 8.860 19.909 -9.620 1.00 0.00 S ATOM 1913 CE MET A 129 9.204 20.669 -11.204 1.00 0.00 C ATOM 0 H MET A 129 3.942 21.777 -8.422 1.00 0.00 H new ATOM 0 HA MET A 129 6.449 22.622 -7.087 1.00 0.00 H new ATOM 0 HB2 MET A 129 6.329 20.263 -8.105 1.00 0.00 H new ATOM 0 HB3 MET A 129 6.186 21.043 -9.668 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.360 22.220 -9.237 1.00 0.00 H new ATOM 0 HG3 MET A 129 8.508 21.338 -7.730 1.00 0.00 H new ATOM 0 HE1 MET A 129 9.677 19.940 -11.862 1.00 0.00 H new ATOM 0 HE2 MET A 129 8.272 21.012 -11.653 1.00 0.00 H new ATOM 0 HE3 MET A 129 9.872 21.518 -11.063 1.00 0.00 H new ATOM 1923 N SER A 130 5.124 24.569 -8.650 1.00 0.00 N ATOM 1924 CA SER A 130 5.063 25.772 -9.471 1.00 0.00 C ATOM 1925 C SER A 130 6.240 26.695 -9.171 1.00 0.00 C ATOM 1926 O SER A 130 6.804 26.665 -8.078 1.00 0.00 O ATOM 1927 CB SER A 130 3.746 26.512 -9.232 1.00 0.00 C ATOM 1928 OG SER A 130 2.636 25.704 -9.581 1.00 0.00 O ATOM 0 H SER A 130 4.488 24.570 -7.853 1.00 0.00 H new ATOM 0 HA SER A 130 5.117 25.471 -10.517 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.673 26.802 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 130 3.730 27.431 -9.819 1.00 0.00 H new ATOM 0 HG SER A 130 1.806 26.199 -9.417 1.00 0.00 H new ATOM 1934 N GLY A 131 6.606 27.515 -10.152 1.00 0.00 N ATOM 1935 CA GLY A 131 7.714 28.435 -9.974 1.00 0.00 C ATOM 1936 C GLY A 131 8.468 28.691 -11.264 1.00 0.00 C ATOM 1937 O GLY A 131 8.664 27.792 -12.082 1.00 0.00 O ATOM 0 H GLY A 131 6.155 27.558 -11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 131 7.338 29.380 -9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 131 8.401 28.032 -9.229 1.00 0.00 H new ATOM 1941 N PRO A 132 8.903 29.944 -11.461 1.00 0.00 N ATOM 1942 CA PRO A 132 9.646 30.345 -12.660 1.00 0.00 C ATOM 1943 C PRO A 132 11.048 29.747 -12.701 1.00 0.00 C ATOM 1944 O PRO A 132 11.716 29.637 -11.673 1.00 0.00 O ATOM 1945 CB PRO A 132 9.718 31.869 -12.539 1.00 0.00 C ATOM 1946 CG PRO A 132 9.603 32.140 -11.079 1.00 0.00 C ATOM 1947 CD PRO A 132 8.705 31.066 -10.528 1.00 0.00 C ATOM 0 HA PRO A 132 9.163 29.998 -13.574 1.00 0.00 H new ATOM 0 HB2 PRO A 132 10.656 32.254 -12.940 1.00 0.00 H new ATOM 0 HB3 PRO A 132 8.913 32.349 -13.095 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.581 32.115 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 132 9.184 33.130 -10.898 1.00 0.00 H new ATOM 0 HD2 PRO A 132 8.981 30.795 -9.509 1.00 0.00 H new ATOM 0 HD3 PRO A 132 7.664 31.387 -10.501 1.00 0.00 H new ATOM 1955 N SER A 133 11.488 29.363 -13.895 1.00 0.00 N ATOM 1956 CA SER A 133 12.810 28.773 -14.069 1.00 0.00 C ATOM 1957 C SER A 133 13.201 28.741 -15.543 1.00 0.00 C ATOM 1958 O SER A 133 12.351 28.580 -16.419 1.00 0.00 O ATOM 1959 CB SER A 133 12.839 27.356 -13.491 1.00 0.00 C ATOM 1960 OG SER A 133 13.152 27.375 -12.109 1.00 0.00 O ATOM 0 H SER A 133 10.948 29.450 -14.756 1.00 0.00 H new ATOM 0 HA SER A 133 13.530 29.391 -13.533 1.00 0.00 H new ATOM 0 HB2 SER A 133 11.871 26.879 -13.641 1.00 0.00 H new ATOM 0 HB3 SER A 133 13.576 26.757 -14.026 1.00 0.00 H new ATOM 0 HG SER A 133 12.726 28.150 -11.688 1.00 0.00 H new ATOM 1966 N SER A 134 14.494 28.897 -15.809 1.00 0.00 N ATOM 1967 CA SER A 134 14.999 28.890 -17.177 1.00 0.00 C ATOM 1968 C SER A 134 14.202 29.850 -18.054 1.00 0.00 C ATOM 1969 O SER A 134 13.868 29.534 -19.195 1.00 0.00 O ATOM 1970 CB SER A 134 14.937 27.477 -17.759 1.00 0.00 C ATOM 1971 OG SER A 134 16.009 26.682 -17.283 1.00 0.00 O ATOM 0 H SER A 134 15.211 29.030 -15.095 1.00 0.00 H new ATOM 0 HA SER A 134 16.037 29.221 -17.157 1.00 0.00 H new ATOM 0 HB2 SER A 134 13.988 27.012 -17.492 1.00 0.00 H new ATOM 0 HB3 SER A 134 14.972 27.527 -18.847 1.00 0.00 H new ATOM 0 HG SER A 134 15.946 25.783 -17.668 1.00 0.00 H new ATOM 1977 N GLY A 135 13.901 31.027 -17.513 1.00 0.00 N ATOM 1978 CA GLY A 135 13.146 32.016 -18.259 1.00 0.00 C ATOM 1979 C GLY A 135 12.167 32.777 -17.387 1.00 0.00 C ATOM 1980 O GLY A 135 12.360 33.962 -17.115 1.00 0.00 O ATOM 0 H GLY A 135 14.167 31.313 -16.571 1.00 0.00 H new ATOM 0 HA2 GLY A 135 13.836 32.720 -18.725 1.00 0.00 H new ATOM 0 HA3 GLY A 135 12.602 31.522 -19.064 1.00 0.00 H new TER 1984 GLY A 135