USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 5 THR OG1 : rot 180:sc= 0.177 USER MOD Set 1.2: A 9 LYS NZ :NH3+ -179:sc= -4.03 (180deg=-4.34) USER MOD Set 1.3: A 10 HIS : no HD1:sc= -0.702 K(o=-4.6,f=-3.8) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.105 (180deg=-0.105) USER MOD Single : A 7 GLN : amide:sc= -5.88! C(o=-5.9!,f=-5.5!) USER MOD Single : A 8 LYS NZ :NH3+ -129:sc= -2.8! (180deg=-4.2!) USER MOD Single : A 12 THR OG1 : rot 118:sc= -0.72! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.367 (180deg=-1.38!) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= -1.17 (180deg=-1.48) USER MOD Single : A 23 MET CE :methyl -173:sc= -2.12 (180deg=-2.56) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0157) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -8.77! C(o=-8.8!,f=-3.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 149:sc= -0.156 (180deg=-0.96) USER MOD Single : A 50 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.5) USER MOD Single : A 54 ASN : amide:sc= -6.8! C(o=-6.8!,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0458 USER MOD Single : A 59 SER OG : rot 136:sc= 1.37 USER MOD Single : A 67 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.46) USER MOD Single : A 77 TYR OH : rot -84:sc= -0.0841 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0954) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -160:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 84 ASN : amide:sc= -5.74! C(o=-5.7!,f=-5.3!) USER MOD Single : A 85 THR OG1 : rot -88:sc= 1.43 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -3.18! K(o=-3.2!,f=-1.4) USER MOD Single : A 93 GLN : amide:sc= -1.25! K(o=-1.2!,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-0.89) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.490 9.805 2.045 1.00 1.00 N HETATM 2 CA PCA A 1 -7.196 11.075 1.864 1.00 1.00 C HETATM 3 CB PCA A 1 -6.373 12.096 2.571 1.00 1.00 C HETATM 4 CG PCA A 1 -5.189 11.402 2.820 1.00 1.00 C HETATM 5 CD PCA A 1 -5.291 9.973 2.735 1.00 1.00 C HETATM 6 OE PCA A 1 -4.537 9.022 3.150 1.00 1.00 O HETATM 7 C PCA A 1 -7.344 11.413 0.389 1.00 1.00 C HETATM 8 O PCA A 1 -8.000 12.372 0.035 1.00 1.00 O HETATM 0 H2 PCA A 1 -6.402 9.598 3.060 1.00 1.00 H new HETATM 0 HA PCA A 1 -8.208 11.031 2.266 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -6.205 12.980 1.956 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -6.848 12.434 3.492 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -4.433 11.739 2.111 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.834 11.667 3.816 1.00 1.00 H new ATOM 15 N ASP A 2 -6.744 10.639 -0.471 1.00 1.00 N ATOM 16 CA ASP A 2 -6.849 10.911 -1.931 1.00 1.00 C ATOM 17 C ASP A 2 -6.294 9.708 -2.698 1.00 1.00 C ATOM 18 O ASP A 2 -5.193 9.257 -2.452 1.00 1.00 O ATOM 19 CB ASP A 2 -6.040 12.168 -2.281 1.00 1.00 C ATOM 20 CG ASP A 2 -6.913 13.412 -2.099 1.00 1.00 C ATOM 21 OD1 ASP A 2 -8.053 13.380 -2.531 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.425 14.375 -1.532 1.00 1.00 O ATOM 0 H ASP A 2 -6.182 9.825 -0.224 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.892 11.074 -2.204 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.159 12.234 -1.643 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.685 12.109 -3.310 1.00 1.00 H new ATOM 27 N TRP A 3 -7.051 9.176 -3.617 1.00 1.00 N ATOM 28 CA TRP A 3 -6.569 7.995 -4.385 1.00 1.00 C ATOM 29 C TRP A 3 -5.189 8.304 -4.975 1.00 1.00 C ATOM 30 O TRP A 3 -4.384 7.421 -5.181 1.00 1.00 O ATOM 31 CB TRP A 3 -7.580 7.674 -5.494 1.00 1.00 C ATOM 32 CG TRP A 3 -6.935 6.913 -6.614 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.074 7.220 -7.922 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.077 5.728 -6.561 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.354 6.314 -8.677 1.00 1.00 N ATOM 36 CE2 TRP A 3 -5.723 5.377 -7.887 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.571 4.934 -5.511 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -4.903 4.282 -8.161 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.745 3.832 -5.787 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.412 3.508 -7.108 1.00 1.00 C ATOM 0 H TRP A 3 -7.982 9.508 -3.869 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.479 7.127 -3.731 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.403 7.091 -5.081 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.007 8.600 -5.879 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.655 8.042 -8.315 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.296 6.336 -9.695 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.820 5.175 -4.488 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -4.650 4.035 -9.181 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.364 3.230 -4.975 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -3.776 2.660 -7.312 1.00 1.00 H new ATOM 51 N GLU A 4 -4.904 9.551 -5.234 1.00 1.00 N ATOM 52 CA GLU A 4 -3.569 9.905 -5.797 1.00 1.00 C ATOM 53 C GLU A 4 -2.477 9.506 -4.801 1.00 1.00 C ATOM 54 O GLU A 4 -1.823 8.498 -4.959 1.00 1.00 O ATOM 55 CB GLU A 4 -3.504 11.413 -6.055 1.00 1.00 C ATOM 56 CG GLU A 4 -4.536 11.796 -7.116 1.00 1.00 C ATOM 57 CD GLU A 4 -4.117 11.219 -8.469 1.00 1.00 C ATOM 58 OE1 GLU A 4 -2.931 11.237 -8.757 1.00 1.00 O ATOM 59 OE2 GLU A 4 -4.987 10.769 -9.195 1.00 1.00 O ATOM 0 H GLU A 4 -5.535 10.338 -5.081 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.417 9.373 -6.736 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -3.697 11.959 -5.132 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.504 11.693 -6.388 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.519 11.417 -6.836 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.620 12.881 -7.182 1.00 1.00 H new ATOM 66 N THR A 5 -2.273 10.285 -3.775 1.00 1.00 N ATOM 67 CA THR A 5 -1.224 9.928 -2.780 1.00 1.00 C ATOM 68 C THR A 5 -1.422 8.476 -2.353 1.00 1.00 C ATOM 69 O THR A 5 -0.501 7.683 -2.366 1.00 1.00 O ATOM 70 CB THR A 5 -1.335 10.841 -1.558 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.375 10.447 -0.588 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.740 10.740 -0.959 1.00 1.00 C ATOM 0 H THR A 5 -2.783 11.147 -3.583 1.00 1.00 H new ATOM 0 HA THR A 5 -0.238 10.053 -3.227 1.00 1.00 H new ATOM 0 HB THR A 5 -1.149 11.872 -1.860 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.443 11.032 0.196 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.812 11.393 -0.089 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.476 11.045 -1.703 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.934 9.711 -0.657 1.00 1.00 H new ATOM 80 N PHE A 6 -2.622 8.116 -1.993 1.00 1.00 N ATOM 81 CA PHE A 6 -2.881 6.709 -1.584 1.00 1.00 C ATOM 82 C PHE A 6 -2.290 5.781 -2.646 1.00 1.00 C ATOM 83 O PHE A 6 -1.972 4.639 -2.385 1.00 1.00 O ATOM 84 CB PHE A 6 -4.392 6.481 -1.478 1.00 1.00 C ATOM 85 CG PHE A 6 -4.674 5.267 -0.622 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.641 5.369 0.775 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.974 4.041 -1.228 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.908 4.244 1.564 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.241 2.917 -0.438 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.208 3.018 0.957 1.00 1.00 C ATOM 0 H PHE A 6 -3.433 8.734 -1.964 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.423 6.505 -0.616 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.871 7.360 -1.046 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.818 6.342 -2.472 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.410 6.315 1.243 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.999 3.963 -2.305 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.883 4.321 2.641 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.473 1.971 -0.905 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.414 2.150 1.566 1.00 1.00 H new ATOM 100 N GLN A 7 -2.133 6.272 -3.846 1.00 1.00 N ATOM 101 CA GLN A 7 -1.553 5.428 -4.926 1.00 1.00 C ATOM 102 C GLN A 7 -0.034 5.600 -4.937 1.00 1.00 C ATOM 103 O GLN A 7 0.690 4.779 -5.466 1.00 1.00 O ATOM 104 CB GLN A 7 -2.124 5.858 -6.283 1.00 1.00 C ATOM 105 CG GLN A 7 -1.632 4.910 -7.381 1.00 1.00 C ATOM 106 CD GLN A 7 -0.232 5.330 -7.838 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.685 4.533 -7.832 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.030 6.556 -8.235 1.00 1.00 N ATOM 0 H GLN A 7 -2.382 7.221 -4.123 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.805 4.383 -4.745 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.213 5.852 -6.247 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -1.818 6.880 -6.509 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.611 3.886 -7.008 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.321 4.928 -8.225 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.801 7.224 -8.240 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.899 6.847 -8.541 1.00 1.00 H new ATOM 117 N LYS A 8 0.455 6.677 -4.381 1.00 1.00 N ATOM 118 CA LYS A 8 1.928 6.918 -4.390 1.00 1.00 C ATOM 119 C LYS A 8 2.602 6.318 -3.148 1.00 1.00 C ATOM 120 O LYS A 8 3.590 5.617 -3.253 1.00 1.00 O ATOM 121 CB LYS A 8 2.182 8.428 -4.421 1.00 1.00 C ATOM 122 CG LYS A 8 1.406 9.068 -5.589 1.00 1.00 C ATOM 123 CD LYS A 8 2.369 9.457 -6.720 1.00 1.00 C ATOM 124 CE LYS A 8 2.962 8.197 -7.363 1.00 1.00 C ATOM 125 NZ LYS A 8 4.139 7.739 -6.571 1.00 1.00 N ATOM 0 H LYS A 8 -0.100 7.399 -3.922 1.00 1.00 H new ATOM 0 HA LYS A 8 2.352 6.437 -5.272 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.871 8.877 -3.478 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.249 8.624 -4.531 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.658 8.369 -5.964 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.871 9.950 -5.239 1.00 1.00 H new ATOM 0 HD2 LYS A 8 1.842 10.045 -7.471 1.00 1.00 H new ATOM 0 HD3 LYS A 8 3.169 10.085 -6.328 1.00 1.00 H new ATOM 0 HE2 LYS A 8 2.210 7.409 -7.405 1.00 1.00 H new ATOM 0 HE3 LYS A 8 3.261 8.407 -8.390 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 4.950 7.596 -7.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 4.379 8.458 -5.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.910 6.843 -6.095 1.00 1.00 H new ATOM 139 N LYS A 9 2.109 6.609 -1.973 1.00 1.00 N ATOM 140 CA LYS A 9 2.766 6.076 -0.739 1.00 1.00 C ATOM 141 C LYS A 9 2.200 4.706 -0.342 1.00 1.00 C ATOM 142 O LYS A 9 2.941 3.784 -0.070 1.00 1.00 O ATOM 143 CB LYS A 9 2.558 7.063 0.414 1.00 1.00 C ATOM 144 CG LYS A 9 1.062 7.284 0.650 1.00 1.00 C ATOM 145 CD LYS A 9 0.859 8.547 1.488 1.00 1.00 C ATOM 146 CE LYS A 9 -0.606 8.650 1.912 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.479 8.208 0.788 1.00 1.00 N ATOM 0 H LYS A 9 1.285 7.189 -1.813 1.00 1.00 H new ATOM 0 HA LYS A 9 3.829 5.955 -0.949 1.00 1.00 H new ATOM 0 HB2 LYS A 9 3.025 6.679 1.321 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.042 8.012 0.183 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.543 7.380 -0.304 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.632 6.423 1.161 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.502 8.519 2.368 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.144 9.428 0.912 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.786 8.032 2.791 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.844 9.677 2.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.477 8.294 1.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.301 8.805 -0.045 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -1.269 7.217 0.555 1.00 1.00 H new ATOM 161 N HIS A 10 0.905 4.561 -0.274 1.00 1.00 N ATOM 162 CA HIS A 10 0.331 3.246 0.143 1.00 1.00 C ATOM 163 C HIS A 10 0.460 2.213 -0.978 1.00 1.00 C ATOM 164 O HIS A 10 0.246 1.043 -0.756 1.00 1.00 O ATOM 165 CB HIS A 10 -1.146 3.419 0.511 1.00 1.00 C ATOM 166 CG HIS A 10 -1.255 4.049 1.874 1.00 1.00 C ATOM 167 ND1 HIS A 10 -0.846 3.391 3.026 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.721 5.273 2.285 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.073 4.216 4.066 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.604 5.373 3.667 1.00 1.00 N ATOM 0 H HIS A 10 0.223 5.289 -0.487 1.00 1.00 H new ATOM 0 HA HIS A 10 0.888 2.889 1.010 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.646 4.043 -0.230 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.649 2.452 0.505 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -2.117 6.040 1.636 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -0.853 3.971 5.095 1.00 1.00 H new ATOM 0 HE2 HIS A 10 -1.869 6.165 4.253 1.00 1.00 H new ATOM 179 N LEU A 11 0.797 2.621 -2.174 1.00 1.00 N ATOM 180 CA LEU A 11 0.922 1.632 -3.296 1.00 1.00 C ATOM 181 C LEU A 11 2.241 1.849 -4.038 1.00 1.00 C ATOM 182 O LEU A 11 2.782 2.937 -4.061 1.00 1.00 O ATOM 183 CB LEU A 11 -0.239 1.845 -4.278 1.00 1.00 C ATOM 184 CG LEU A 11 -1.272 0.721 -4.154 1.00 1.00 C ATOM 185 CD1 LEU A 11 -2.134 0.950 -2.912 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.168 0.718 -5.391 1.00 1.00 C ATOM 0 H LEU A 11 0.991 3.590 -2.426 1.00 1.00 H new ATOM 0 HA LEU A 11 0.897 0.621 -2.890 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.715 2.806 -4.082 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.144 1.882 -5.298 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.756 -0.235 -4.069 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.868 0.149 -2.826 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.500 0.958 -2.025 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.649 1.907 -2.998 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.904 -0.081 -5.305 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.681 1.677 -5.471 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.559 0.557 -6.281 1.00 1.00 H new ATOM 198 N THR A 12 2.744 0.820 -4.672 1.00 1.00 N ATOM 199 CA THR A 12 4.014 0.964 -5.446 1.00 1.00 C ATOM 200 C THR A 12 3.856 0.263 -6.796 1.00 1.00 C ATOM 201 O THR A 12 2.754 0.016 -7.245 1.00 1.00 O ATOM 202 CB THR A 12 5.189 0.353 -4.675 1.00 1.00 C ATOM 203 OG1 THR A 12 6.313 0.279 -5.538 1.00 1.00 O ATOM 204 CG2 THR A 12 4.835 -1.053 -4.172 1.00 1.00 C ATOM 0 H THR A 12 2.331 -0.112 -4.687 1.00 1.00 H new ATOM 0 HA THR A 12 4.221 2.023 -5.600 1.00 1.00 H new ATOM 0 HB THR A 12 5.415 0.980 -3.813 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.039 0.830 -5.178 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.683 -1.469 -3.627 1.00 1.00 H new ATOM 0 HG22 THR A 12 3.971 -0.996 -3.510 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.599 -1.695 -5.021 1.00 1.00 H new ATOM 212 N ASP A 13 4.941 -0.042 -7.460 1.00 1.00 N ATOM 213 CA ASP A 13 4.840 -0.708 -8.795 1.00 1.00 C ATOM 214 C ASP A 13 5.545 -2.069 -8.782 1.00 1.00 C ATOM 215 O ASP A 13 5.669 -2.709 -9.806 1.00 1.00 O ATOM 216 CB ASP A 13 5.496 0.185 -9.850 1.00 1.00 C ATOM 217 CG ASP A 13 5.152 -0.337 -11.246 1.00 1.00 C ATOM 218 OD1 ASP A 13 4.255 -1.158 -11.346 1.00 1.00 O ATOM 219 OD2 ASP A 13 5.789 0.094 -12.192 1.00 1.00 O ATOM 0 H ASP A 13 5.891 0.141 -7.137 1.00 1.00 H new ATOM 0 HA ASP A 13 3.787 -0.863 -9.028 1.00 1.00 H new ATOM 0 HB2 ASP A 13 5.149 1.212 -9.739 1.00 1.00 H new ATOM 0 HB3 ASP A 13 6.577 0.197 -9.711 1.00 1.00 H new ATOM 224 N THR A 14 6.013 -2.525 -7.649 1.00 1.00 N ATOM 225 CA THR A 14 6.707 -3.849 -7.628 1.00 1.00 C ATOM 226 C THR A 14 6.483 -4.543 -6.284 1.00 1.00 C ATOM 227 O THR A 14 6.223 -3.912 -5.279 1.00 1.00 O ATOM 228 CB THR A 14 8.205 -3.638 -7.847 1.00 1.00 C ATOM 229 OG1 THR A 14 8.853 -4.900 -7.925 1.00 1.00 O ATOM 230 CG2 THR A 14 8.782 -2.838 -6.679 1.00 1.00 C ATOM 0 H THR A 14 5.947 -2.047 -6.750 1.00 1.00 H new ATOM 0 HA THR A 14 6.301 -4.476 -8.422 1.00 1.00 H new ATOM 0 HB THR A 14 8.365 -3.090 -8.776 1.00 1.00 H new ATOM 0 HG1 THR A 14 9.813 -4.766 -8.067 1.00 1.00 H new ATOM 0 HG21 THR A 14 9.850 -2.687 -6.834 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.284 -1.870 -6.619 1.00 1.00 H new ATOM 0 HG23 THR A 14 8.624 -3.385 -5.750 1.00 1.00 H new ATOM 238 N LYS A 15 6.589 -5.845 -6.263 1.00 1.00 N ATOM 239 CA LYS A 15 6.392 -6.596 -4.992 1.00 1.00 C ATOM 240 C LYS A 15 7.622 -6.406 -4.102 1.00 1.00 C ATOM 241 O LYS A 15 7.550 -6.516 -2.894 1.00 1.00 O ATOM 242 CB LYS A 15 6.209 -8.084 -5.303 1.00 1.00 C ATOM 243 CG LYS A 15 7.203 -8.503 -6.389 1.00 1.00 C ATOM 244 CD LYS A 15 7.300 -10.030 -6.435 1.00 1.00 C ATOM 245 CE LYS A 15 5.963 -10.615 -6.897 1.00 1.00 C ATOM 246 NZ LYS A 15 6.153 -12.042 -7.284 1.00 1.00 N ATOM 0 H LYS A 15 6.805 -6.422 -7.076 1.00 1.00 H new ATOM 0 HA LYS A 15 5.506 -6.224 -4.477 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.367 -8.677 -4.402 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.189 -8.274 -5.636 1.00 1.00 H new ATOM 0 HG2 LYS A 15 6.882 -8.120 -7.358 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.183 -8.072 -6.185 1.00 1.00 H new ATOM 0 HD2 LYS A 15 8.096 -10.334 -7.115 1.00 1.00 H new ATOM 0 HD3 LYS A 15 7.557 -10.418 -5.449 1.00 1.00 H new ATOM 0 HE2 LYS A 15 5.225 -10.539 -6.098 1.00 1.00 H new ATOM 0 HE3 LYS A 15 5.577 -10.046 -7.743 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 5.245 -12.440 -7.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 6.844 -12.103 -8.059 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 6.502 -12.580 -6.466 1.00 1.00 H new ATOM 260 N LYS A 16 8.750 -6.116 -4.696 1.00 1.00 N ATOM 261 CA LYS A 16 9.996 -5.908 -3.903 1.00 1.00 C ATOM 262 C LYS A 16 10.463 -4.462 -4.077 1.00 1.00 C ATOM 263 O LYS A 16 11.475 -4.193 -4.692 1.00 1.00 O ATOM 264 CB LYS A 16 11.087 -6.866 -4.395 1.00 1.00 C ATOM 265 CG LYS A 16 11.188 -6.807 -5.924 1.00 1.00 C ATOM 266 CD LYS A 16 11.989 -8.009 -6.429 1.00 1.00 C ATOM 267 CE LYS A 16 12.453 -7.751 -7.864 1.00 1.00 C ATOM 268 NZ LYS A 16 13.294 -6.521 -7.901 1.00 1.00 N ATOM 0 H LYS A 16 8.861 -6.014 -5.705 1.00 1.00 H new ATOM 0 HA LYS A 16 9.798 -6.105 -2.849 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.045 -6.599 -3.949 1.00 1.00 H new ATOM 0 HB3 LYS A 16 10.860 -7.883 -4.077 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.191 -6.809 -6.365 1.00 1.00 H new ATOM 0 HG3 LYS A 16 11.671 -5.879 -6.232 1.00 1.00 H new ATOM 0 HD2 LYS A 16 12.850 -8.182 -5.783 1.00 1.00 H new ATOM 0 HD3 LYS A 16 11.376 -8.909 -6.391 1.00 1.00 H new ATOM 0 HE2 LYS A 16 13.022 -8.605 -8.233 1.00 1.00 H new ATOM 0 HE3 LYS A 16 11.591 -7.635 -8.521 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 13.971 -6.587 -8.687 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 12.686 -5.688 -8.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 13.813 -6.428 -7.004 1.00 1.00 H new ATOM 282 N VAL A 17 9.726 -3.525 -3.545 1.00 1.00 N ATOM 283 CA VAL A 17 10.120 -2.096 -3.689 1.00 1.00 C ATOM 284 C VAL A 17 11.562 -1.910 -3.256 1.00 1.00 C ATOM 285 O VAL A 17 12.157 -2.768 -2.634 1.00 1.00 O ATOM 286 CB VAL A 17 9.241 -1.215 -2.804 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.796 -1.303 -3.276 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.346 -1.680 -1.347 1.00 1.00 C ATOM 0 H VAL A 17 8.869 -3.688 -3.017 1.00 1.00 H new ATOM 0 HA VAL A 17 10.000 -1.813 -4.735 1.00 1.00 H new ATOM 0 HB VAL A 17 9.577 -0.180 -2.871 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.168 -0.674 -2.645 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.729 -0.961 -4.309 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.455 -2.336 -3.213 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.718 -1.050 -0.718 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.013 -2.715 -1.271 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.382 -1.606 -1.015 1.00 1.00 H new ATOM 298 N LYS A 18 12.117 -0.775 -3.560 1.00 1.00 N ATOM 299 CA LYS A 18 13.513 -0.499 -3.148 1.00 1.00 C ATOM 300 C LYS A 18 13.466 0.329 -1.871 1.00 1.00 C ATOM 301 O LYS A 18 13.849 1.477 -1.847 1.00 1.00 O ATOM 302 CB LYS A 18 14.250 0.272 -4.252 1.00 1.00 C ATOM 303 CG LYS A 18 13.423 1.494 -4.689 1.00 1.00 C ATOM 304 CD LYS A 18 12.453 1.105 -5.814 1.00 1.00 C ATOM 305 CE LYS A 18 13.100 1.372 -7.176 1.00 1.00 C ATOM 306 NZ LYS A 18 14.350 0.571 -7.300 1.00 1.00 N ATOM 0 H LYS A 18 11.661 -0.024 -4.078 1.00 1.00 H new ATOM 0 HA LYS A 18 14.048 -1.433 -2.976 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.226 0.595 -3.891 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.426 -0.381 -5.106 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.866 1.888 -3.839 1.00 1.00 H new ATOM 0 HG3 LYS A 18 14.087 2.288 -5.030 1.00 1.00 H new ATOM 0 HD2 LYS A 18 12.187 0.051 -5.728 1.00 1.00 H new ATOM 0 HD3 LYS A 18 11.529 1.676 -5.723 1.00 1.00 H new ATOM 0 HE2 LYS A 18 12.408 1.111 -7.976 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.324 2.433 -7.282 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 14.688 0.605 -8.283 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 15.078 0.964 -6.670 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 14.158 -0.416 -7.034 1.00 1.00 H new ATOM 320 N CYS A 19 12.966 -0.251 -0.815 1.00 1.00 N ATOM 321 CA CYS A 19 12.847 0.476 0.481 1.00 1.00 C ATOM 322 C CYS A 19 13.933 1.553 0.616 1.00 1.00 C ATOM 323 O CYS A 19 13.687 2.636 1.116 1.00 1.00 O ATOM 324 CB CYS A 19 12.990 -0.525 1.625 1.00 1.00 C ATOM 325 SG CYS A 19 11.495 -1.539 1.725 1.00 1.00 S ATOM 0 H CYS A 19 12.629 -1.214 -0.795 1.00 1.00 H new ATOM 0 HA CYS A 19 11.873 0.965 0.517 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.862 -1.158 1.462 1.00 1.00 H new ATOM 0 HB3 CYS A 19 13.149 0.001 2.566 1.00 1.00 H new ATOM 330 N ASP A 20 15.128 1.267 0.175 1.00 1.00 N ATOM 331 CA ASP A 20 16.226 2.270 0.286 1.00 1.00 C ATOM 332 C ASP A 20 15.749 3.600 -0.292 1.00 1.00 C ATOM 333 O ASP A 20 15.970 4.652 0.276 1.00 1.00 O ATOM 334 CB ASP A 20 17.450 1.777 -0.488 1.00 1.00 C ATOM 335 CG ASP A 20 18.494 2.893 -0.566 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.357 3.857 0.168 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.413 2.763 -1.358 1.00 1.00 O ATOM 0 H ASP A 20 15.392 0.382 -0.258 1.00 1.00 H new ATOM 0 HA ASP A 20 16.497 2.405 1.333 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.875 0.902 0.004 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.158 1.468 -1.492 1.00 1.00 H new ATOM 342 N VAL A 21 15.080 3.558 -1.409 1.00 1.00 N ATOM 343 CA VAL A 21 14.566 4.809 -2.025 1.00 1.00 C ATOM 344 C VAL A 21 13.076 4.934 -1.695 1.00 1.00 C ATOM 345 O VAL A 21 12.570 6.013 -1.465 1.00 1.00 O ATOM 346 CB VAL A 21 14.761 4.745 -3.543 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.985 6.155 -4.103 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.978 3.874 -3.867 1.00 1.00 C ATOM 0 H VAL A 21 14.866 2.704 -1.924 1.00 1.00 H new ATOM 0 HA VAL A 21 15.105 5.673 -1.636 1.00 1.00 H new ATOM 0 HB VAL A 21 13.869 4.315 -3.997 1.00 1.00 H new ATOM 0 HG11 VAL A 21 15.123 6.100 -5.183 1.00 1.00 H new ATOM 0 HG12 VAL A 21 14.119 6.777 -3.879 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.873 6.591 -3.646 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.116 3.829 -4.947 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.867 4.304 -3.405 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.819 2.868 -3.479 1.00 1.00 H new ATOM 358 N GLU A 22 12.373 3.830 -1.646 1.00 1.00 N ATOM 359 CA GLU A 22 10.921 3.890 -1.310 1.00 1.00 C ATOM 360 C GLU A 22 10.763 4.608 0.030 1.00 1.00 C ATOM 361 O GLU A 22 9.668 4.885 0.479 1.00 1.00 O ATOM 362 CB GLU A 22 10.351 2.465 -1.207 1.00 1.00 C ATOM 363 CG GLU A 22 9.030 2.377 -1.978 1.00 1.00 C ATOM 364 CD GLU A 22 9.316 2.333 -3.480 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.447 2.597 -3.856 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.400 2.034 -4.230 1.00 1.00 O ATOM 0 H GLU A 22 12.741 2.895 -1.823 1.00 1.00 H new ATOM 0 HA GLU A 22 10.380 4.428 -2.088 1.00 1.00 H new ATOM 0 HB2 GLU A 22 11.066 1.748 -1.610 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.190 2.202 -0.161 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.479 1.486 -1.676 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.401 3.236 -1.742 1.00 1.00 H new ATOM 373 N MET A 23 11.863 4.898 0.673 1.00 1.00 N ATOM 374 CA MET A 23 11.813 5.588 1.996 1.00 1.00 C ATOM 375 C MET A 23 12.686 6.844 1.955 1.00 1.00 C ATOM 376 O MET A 23 12.290 7.902 2.401 1.00 1.00 O ATOM 377 CB MET A 23 12.350 4.642 3.073 1.00 1.00 C ATOM 378 CG MET A 23 11.593 3.310 3.024 1.00 1.00 C ATOM 379 SD MET A 23 10.071 3.450 3.990 1.00 1.00 S ATOM 380 CE MET A 23 10.792 3.112 5.616 1.00 1.00 C ATOM 0 H MET A 23 12.802 4.685 0.336 1.00 1.00 H new ATOM 0 HA MET A 23 10.784 5.867 2.222 1.00 1.00 H new ATOM 0 HB2 MET A 23 13.415 4.470 2.920 1.00 1.00 H new ATOM 0 HB3 MET A 23 12.239 5.097 4.057 1.00 1.00 H new ATOM 0 HG2 MET A 23 11.359 3.049 1.992 1.00 1.00 H new ATOM 0 HG3 MET A 23 12.217 2.509 3.421 1.00 1.00 H new ATOM 0 HE1 MET A 23 9.996 3.026 6.356 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.354 2.179 5.578 1.00 1.00 H new ATOM 0 HE3 MET A 23 11.460 3.927 5.894 1.00 1.00 H new ATOM 390 N ALA A 24 13.877 6.733 1.432 1.00 1.00 N ATOM 391 CA ALA A 24 14.778 7.919 1.374 1.00 1.00 C ATOM 392 C ALA A 24 14.285 8.895 0.305 1.00 1.00 C ATOM 393 O ALA A 24 14.915 9.896 0.029 1.00 1.00 O ATOM 394 CB ALA A 24 16.197 7.460 1.034 1.00 1.00 C ATOM 0 H ALA A 24 14.264 5.873 1.043 1.00 1.00 H new ATOM 0 HA ALA A 24 14.777 8.421 2.342 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.859 8.325 0.991 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.550 6.771 1.801 1.00 1.00 H new ATOM 0 HB3 ALA A 24 16.195 6.956 0.067 1.00 1.00 H new ATOM 400 N LYS A 25 13.163 8.614 -0.300 1.00 1.00 N ATOM 401 CA LYS A 25 12.631 9.532 -1.348 1.00 1.00 C ATOM 402 C LYS A 25 12.532 10.949 -0.776 1.00 1.00 C ATOM 403 O LYS A 25 13.036 11.237 0.290 1.00 1.00 O ATOM 404 CB LYS A 25 11.230 9.068 -1.772 1.00 1.00 C ATOM 405 CG LYS A 25 11.327 8.086 -2.951 1.00 1.00 C ATOM 406 CD LYS A 25 10.308 6.959 -2.773 1.00 1.00 C ATOM 407 CE LYS A 25 8.906 7.480 -3.096 1.00 1.00 C ATOM 408 NZ LYS A 25 7.936 6.350 -3.059 1.00 1.00 N ATOM 0 H LYS A 25 12.592 7.789 -0.114 1.00 1.00 H new ATOM 0 HA LYS A 25 13.299 9.524 -2.209 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.728 8.589 -0.931 1.00 1.00 H new ATOM 0 HB3 LYS A 25 10.625 9.929 -2.056 1.00 1.00 H new ATOM 0 HG2 LYS A 25 11.143 8.610 -3.889 1.00 1.00 H new ATOM 0 HG3 LYS A 25 12.334 7.672 -3.010 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.556 6.124 -3.428 1.00 1.00 H new ATOM 0 HD3 LYS A 25 10.341 6.583 -1.750 1.00 1.00 H new ATOM 0 HE2 LYS A 25 8.616 8.246 -2.377 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.898 7.948 -4.080 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 6.974 6.713 -3.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.170 5.667 -3.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 7.986 5.880 -2.133 1.00 1.00 H new ATOM 422 N ALA A 26 11.870 11.830 -1.476 1.00 1.00 N ATOM 423 CA ALA A 26 11.717 13.226 -0.979 1.00 1.00 C ATOM 424 C ALA A 26 10.331 13.382 -0.349 1.00 1.00 C ATOM 425 O ALA A 26 10.054 14.349 0.332 1.00 1.00 O ATOM 426 CB ALA A 26 11.858 14.201 -2.148 1.00 1.00 C ATOM 0 H ALA A 26 11.427 11.641 -2.375 1.00 1.00 H new ATOM 0 HA ALA A 26 12.486 13.439 -0.236 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.746 15.223 -1.785 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.841 14.083 -2.603 1.00 1.00 H new ATOM 0 HB3 ALA A 26 11.087 13.993 -2.890 1.00 1.00 H new ATOM 432 N LEU A 27 9.457 12.434 -0.574 1.00 1.00 N ATOM 433 CA LEU A 27 8.086 12.523 0.011 1.00 1.00 C ATOM 434 C LEU A 27 8.027 11.697 1.298 1.00 1.00 C ATOM 435 O LEU A 27 7.014 11.641 1.966 1.00 1.00 O ATOM 436 CB LEU A 27 7.060 11.998 -1.005 1.00 1.00 C ATOM 437 CG LEU A 27 7.036 10.456 -0.999 1.00 1.00 C ATOM 438 CD1 LEU A 27 6.096 9.931 0.104 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.548 9.954 -2.365 1.00 1.00 C ATOM 0 H LEU A 27 9.634 11.602 -1.138 1.00 1.00 H new ATOM 0 HA LEU A 27 7.852 13.562 0.245 1.00 1.00 H new ATOM 0 HB2 LEU A 27 6.070 12.384 -0.764 1.00 1.00 H new ATOM 0 HB3 LEU A 27 7.309 12.360 -2.003 1.00 1.00 H new ATOM 0 HG LEU A 27 8.043 10.089 -0.802 1.00 1.00 H new ATOM 0 HD11 LEU A 27 6.093 8.841 0.091 1.00 1.00 H new ATOM 0 HD12 LEU A 27 6.444 10.282 1.076 1.00 1.00 H new ATOM 0 HD13 LEU A 27 5.085 10.298 -0.074 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.529 8.864 -2.367 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.545 10.335 -2.555 1.00 1.00 H new ATOM 0 HD23 LEU A 27 7.223 10.306 -3.145 1.00 1.00 H new ATOM 451 N PHE A 28 9.114 11.058 1.650 1.00 1.00 N ATOM 452 CA PHE A 28 9.139 10.233 2.898 1.00 1.00 C ATOM 453 C PHE A 28 10.151 10.832 3.878 1.00 1.00 C ATOM 454 O PHE A 28 9.866 11.011 5.044 1.00 1.00 O ATOM 455 CB PHE A 28 9.549 8.795 2.551 1.00 1.00 C ATOM 456 CG PHE A 28 8.327 7.984 2.177 1.00 1.00 C ATOM 457 CD1 PHE A 28 7.313 7.770 3.119 1.00 1.00 C ATOM 458 CD2 PHE A 28 8.209 7.443 0.890 1.00 1.00 C ATOM 459 CE1 PHE A 28 6.183 7.018 2.774 1.00 1.00 C ATOM 460 CE2 PHE A 28 7.080 6.690 0.547 1.00 1.00 C ATOM 461 CZ PHE A 28 6.067 6.478 1.488 1.00 1.00 C ATOM 0 H PHE A 28 9.989 11.072 1.125 1.00 1.00 H new ATOM 0 HA PHE A 28 8.149 10.227 3.354 1.00 1.00 H new ATOM 0 HB2 PHE A 28 10.259 8.800 1.724 1.00 1.00 H new ATOM 0 HB3 PHE A 28 10.053 8.337 3.402 1.00 1.00 H new ATOM 0 HD1 PHE A 28 7.402 8.185 4.112 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.990 7.607 0.162 1.00 1.00 H new ATOM 0 HE1 PHE A 28 5.401 6.855 3.501 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.991 6.272 -0.445 1.00 1.00 H new ATOM 0 HZ PHE A 28 5.196 5.898 1.222 1.00 1.00 H new ATOM 471 N ASP A 29 11.330 11.146 3.410 1.00 1.00 N ATOM 472 CA ASP A 29 12.370 11.740 4.306 1.00 1.00 C ATOM 473 C ASP A 29 13.048 10.635 5.124 1.00 1.00 C ATOM 474 O ASP A 29 13.381 10.820 6.278 1.00 1.00 O ATOM 475 CB ASP A 29 11.722 12.764 5.252 1.00 1.00 C ATOM 476 CG ASP A 29 12.727 13.873 5.578 1.00 1.00 C ATOM 477 OD1 ASP A 29 13.523 13.678 6.482 1.00 1.00 O ATOM 478 OD2 ASP A 29 12.682 14.898 4.918 1.00 1.00 O ATOM 0 H ASP A 29 11.620 11.017 2.441 1.00 1.00 H new ATOM 0 HA ASP A 29 13.120 12.242 3.695 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.833 13.191 4.788 1.00 1.00 H new ATOM 0 HB3 ASP A 29 11.398 12.272 6.169 1.00 1.00 H new ATOM 483 N CYS A 30 13.272 9.493 4.530 1.00 1.00 N ATOM 484 CA CYS A 30 13.947 8.385 5.268 1.00 1.00 C ATOM 485 C CYS A 30 13.210 8.088 6.581 1.00 1.00 C ATOM 486 O CYS A 30 13.766 8.216 7.653 1.00 1.00 O ATOM 487 CB CYS A 30 15.389 8.797 5.577 1.00 1.00 C ATOM 488 SG CYS A 30 16.300 7.384 6.248 1.00 1.00 S ATOM 0 H CYS A 30 13.017 9.279 3.566 1.00 1.00 H new ATOM 0 HA CYS A 30 13.937 7.487 4.650 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.876 9.158 4.671 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.397 9.619 6.292 1.00 1.00 H new ATOM 493 N LYS A 31 11.968 7.687 6.509 1.00 1.00 N ATOM 494 CA LYS A 31 11.211 7.380 7.761 1.00 1.00 C ATOM 495 C LYS A 31 11.888 6.221 8.498 1.00 1.00 C ATOM 496 O LYS A 31 13.098 6.129 8.559 1.00 1.00 O ATOM 497 CB LYS A 31 9.775 6.971 7.415 1.00 1.00 C ATOM 498 CG LYS A 31 9.126 8.011 6.494 1.00 1.00 C ATOM 499 CD LYS A 31 9.071 9.387 7.172 1.00 1.00 C ATOM 500 CE LYS A 31 8.439 9.274 8.562 1.00 1.00 C ATOM 501 NZ LYS A 31 7.900 10.602 8.971 1.00 1.00 N ATOM 0 H LYS A 31 11.446 7.559 5.642 1.00 1.00 H new ATOM 0 HA LYS A 31 11.198 8.268 8.393 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.776 5.996 6.928 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.189 6.870 8.329 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.691 8.082 5.564 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.118 7.691 6.231 1.00 1.00 H new ATOM 0 HD2 LYS A 31 10.077 9.798 7.256 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.494 10.079 6.558 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.640 8.533 8.551 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.181 8.932 9.284 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.470 10.526 9.915 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.673 11.297 8.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.180 10.910 8.287 1.00 1.00 H new ATOM 515 N LYS A 32 11.107 5.332 9.057 1.00 1.00 N ATOM 516 CA LYS A 32 11.685 4.169 9.793 1.00 1.00 C ATOM 517 C LYS A 32 10.867 2.915 9.475 1.00 1.00 C ATOM 518 O LYS A 32 11.400 1.837 9.307 1.00 1.00 O ATOM 519 CB LYS A 32 11.634 4.441 11.299 1.00 1.00 C ATOM 520 CG LYS A 32 12.735 5.433 11.674 1.00 1.00 C ATOM 521 CD LYS A 32 12.551 5.876 13.128 1.00 1.00 C ATOM 522 CE LYS A 32 12.645 4.660 14.053 1.00 1.00 C ATOM 523 NZ LYS A 32 13.009 5.109 15.427 1.00 1.00 N ATOM 0 H LYS A 32 10.088 5.363 9.035 1.00 1.00 H new ATOM 0 HA LYS A 32 12.720 4.020 9.486 1.00 1.00 H new ATOM 0 HB2 LYS A 32 10.659 4.842 11.574 1.00 1.00 H new ATOM 0 HB3 LYS A 32 11.764 3.511 11.852 1.00 1.00 H new ATOM 0 HG2 LYS A 32 13.714 4.972 11.545 1.00 1.00 H new ATOM 0 HG3 LYS A 32 12.700 6.298 11.012 1.00 1.00 H new ATOM 0 HD2 LYS A 32 13.314 6.608 13.395 1.00 1.00 H new ATOM 0 HD3 LYS A 32 11.584 6.364 13.250 1.00 1.00 H new ATOM 0 HE2 LYS A 32 11.693 4.130 14.072 1.00 1.00 H new ATOM 0 HE3 LYS A 32 13.392 3.961 13.677 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 13.073 4.284 16.056 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 13.927 5.597 15.401 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 12.281 5.760 15.784 1.00 1.00 H new ATOM 537 N THR A 33 9.570 3.057 9.382 1.00 1.00 N ATOM 538 CA THR A 33 8.696 1.890 9.065 1.00 1.00 C ATOM 539 C THR A 33 7.724 2.298 7.959 1.00 1.00 C ATOM 540 O THR A 33 7.309 3.437 7.883 1.00 1.00 O ATOM 541 CB THR A 33 7.910 1.482 10.315 1.00 1.00 C ATOM 542 OG1 THR A 33 7.156 0.310 10.037 1.00 1.00 O ATOM 543 CG2 THR A 33 6.965 2.616 10.718 1.00 1.00 C ATOM 0 H THR A 33 9.076 3.939 9.513 1.00 1.00 H new ATOM 0 HA THR A 33 9.303 1.046 8.737 1.00 1.00 H new ATOM 0 HB THR A 33 8.603 1.283 11.132 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.654 0.047 10.836 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.406 2.325 11.607 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.545 3.514 10.931 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.270 2.818 9.903 1.00 1.00 H new ATOM 551 N ASN A 34 7.362 1.393 7.090 1.00 1.00 N ATOM 552 CA ASN A 34 6.429 1.774 5.993 1.00 1.00 C ATOM 553 C ASN A 34 5.809 0.532 5.356 1.00 1.00 C ATOM 554 O ASN A 34 6.388 -0.536 5.351 1.00 1.00 O ATOM 555 CB ASN A 34 7.200 2.546 4.925 1.00 1.00 C ATOM 556 CG ASN A 34 6.223 3.342 4.058 1.00 1.00 C ATOM 557 OD1 ASN A 34 6.190 4.555 4.115 1.00 1.00 O ATOM 558 ND2 ASN A 34 5.418 2.706 3.251 1.00 1.00 N ATOM 0 H ASN A 34 7.667 0.420 7.091 1.00 1.00 H new ATOM 0 HA ASN A 34 5.634 2.392 6.410 1.00 1.00 H new ATOM 0 HB2 ASN A 34 7.916 3.220 5.395 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.772 1.856 4.305 1.00 1.00 H new ATOM 0 HD21 ASN A 34 4.762 3.227 2.669 1.00 1.00 H new ATOM 0 HD22 ASN A 34 5.445 1.688 3.202 1.00 1.00 H new ATOM 565 N THR A 35 4.638 0.681 4.802 1.00 1.00 N ATOM 566 CA THR A 35 3.960 -0.465 4.139 1.00 1.00 C ATOM 567 C THR A 35 3.361 0.019 2.819 1.00 1.00 C ATOM 568 O THR A 35 3.037 1.180 2.663 1.00 1.00 O ATOM 569 CB THR A 35 2.845 -0.995 5.044 1.00 1.00 C ATOM 570 OG1 THR A 35 3.413 -1.519 6.235 1.00 1.00 O ATOM 571 CG2 THR A 35 2.074 -2.097 4.316 1.00 1.00 C ATOM 0 H THR A 35 4.117 1.558 4.781 1.00 1.00 H new ATOM 0 HA THR A 35 4.677 -1.264 3.952 1.00 1.00 H new ATOM 0 HB THR A 35 2.163 -0.182 5.294 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.700 -1.857 6.816 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.281 -2.473 4.962 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.638 -1.693 3.402 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.754 -2.911 4.064 1.00 1.00 H new ATOM 579 N PHE A 36 3.196 -0.858 1.871 1.00 1.00 N ATOM 580 CA PHE A 36 2.599 -0.443 0.566 1.00 1.00 C ATOM 581 C PHE A 36 1.829 -1.630 -0.002 1.00 1.00 C ATOM 582 O PHE A 36 1.845 -2.701 0.561 1.00 1.00 O ATOM 583 CB PHE A 36 3.686 -0.024 -0.441 1.00 1.00 C ATOM 584 CG PHE A 36 4.938 0.443 0.266 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.687 -0.454 1.035 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.364 1.771 0.130 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.858 -0.026 1.668 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.537 2.198 0.760 1.00 1.00 C ATOM 589 CZ PHE A 36 7.284 1.299 1.530 1.00 1.00 C ATOM 0 H PHE A 36 3.447 -1.844 1.940 1.00 1.00 H new ATOM 0 HA PHE A 36 1.944 0.412 0.733 1.00 1.00 H new ATOM 0 HB2 PHE A 36 3.925 -0.865 -1.092 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.306 0.775 -1.078 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.360 -1.478 1.140 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.786 2.465 -0.462 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.434 -0.719 2.264 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.866 3.221 0.653 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.190 1.629 2.018 1.00 1.00 H new ATOM 599 N ILE A 37 1.156 -1.453 -1.109 1.00 1.00 N ATOM 600 CA ILE A 37 0.382 -2.577 -1.704 1.00 1.00 C ATOM 601 C ILE A 37 0.822 -2.782 -3.153 1.00 1.00 C ATOM 602 O ILE A 37 0.885 -1.849 -3.935 1.00 1.00 O ATOM 603 CB ILE A 37 -1.113 -2.247 -1.642 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.497 -1.862 -0.201 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.927 -3.469 -2.078 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.781 -1.025 -0.203 1.00 1.00 C ATOM 0 H ILE A 37 1.110 -0.575 -1.626 1.00 1.00 H new ATOM 0 HA ILE A 37 0.566 -3.495 -1.146 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.326 -1.412 -2.310 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.641 -2.761 0.398 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.687 -1.298 0.261 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.990 -3.233 -2.033 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.658 -3.740 -3.099 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.713 -4.305 -1.412 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -3.043 -0.758 0.821 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.623 -0.117 -0.785 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.592 -1.603 -0.646 1.00 1.00 H new ATOM 618 N TYR A 38 1.140 -3.998 -3.516 1.00 1.00 N ATOM 619 CA TYR A 38 1.581 -4.263 -4.917 1.00 1.00 C ATOM 620 C TYR A 38 0.364 -4.624 -5.772 1.00 1.00 C ATOM 621 O TYR A 38 -0.115 -5.740 -5.748 1.00 1.00 O ATOM 622 CB TYR A 38 2.580 -5.424 -4.931 1.00 1.00 C ATOM 623 CG TYR A 38 2.881 -5.819 -6.359 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.437 -4.885 -7.242 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.603 -7.120 -6.800 1.00 1.00 C ATOM 626 CE1 TYR A 38 3.713 -5.252 -8.565 1.00 1.00 C ATOM 627 CE2 TYR A 38 2.880 -7.485 -8.123 1.00 1.00 C ATOM 628 CZ TYR A 38 3.435 -6.552 -9.006 1.00 1.00 C ATOM 629 OH TYR A 38 3.707 -6.911 -10.310 1.00 1.00 O ATOM 0 H TYR A 38 1.113 -4.815 -2.906 1.00 1.00 H new ATOM 0 HA TYR A 38 2.060 -3.372 -5.322 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.499 -5.132 -4.423 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.171 -6.275 -4.386 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.653 -3.883 -6.903 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.175 -7.841 -6.119 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.141 -4.531 -9.246 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.665 -8.488 -8.462 1.00 1.00 H new ATOM 0 HH TYR A 38 3.456 -7.848 -10.451 1.00 1.00 H new ATOM 639 N ALA A 39 -0.138 -3.686 -6.529 1.00 1.00 N ATOM 640 CA ALA A 39 -1.323 -3.972 -7.387 1.00 1.00 C ATOM 641 C ALA A 39 -1.296 -3.050 -8.609 1.00 1.00 C ATOM 642 O ALA A 39 -0.795 -1.945 -8.550 1.00 1.00 O ATOM 643 CB ALA A 39 -2.604 -3.726 -6.588 1.00 1.00 C ATOM 0 H ALA A 39 0.222 -2.734 -6.590 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.296 -5.012 -7.713 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.470 -3.935 -7.216 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.621 -4.381 -5.717 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.635 -2.687 -6.261 1.00 1.00 H new ATOM 649 N LEU A 40 -1.828 -3.494 -9.716 1.00 1.00 N ATOM 650 CA LEU A 40 -1.827 -2.638 -10.936 1.00 1.00 C ATOM 651 C LEU A 40 -3.044 -1.695 -10.892 1.00 1.00 C ATOM 652 O LEU A 40 -4.093 -2.052 -10.395 1.00 1.00 O ATOM 653 CB LEU A 40 -1.833 -3.545 -12.185 1.00 1.00 C ATOM 654 CG LEU A 40 -3.251 -3.740 -12.742 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.545 -2.652 -13.775 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.348 -5.111 -13.420 1.00 1.00 C ATOM 0 H LEU A 40 -2.262 -4.410 -9.828 1.00 1.00 H new ATOM 0 HA LEU A 40 -0.931 -2.018 -10.979 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.197 -3.108 -12.955 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.405 -4.515 -11.932 1.00 1.00 H new ATOM 0 HG LEU A 40 -3.972 -3.680 -11.927 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.551 -2.789 -14.171 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.471 -1.672 -13.303 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -2.822 -2.718 -14.588 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.354 -5.251 -13.816 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.626 -5.166 -14.235 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.133 -5.893 -12.692 1.00 1.00 H new ATOM 668 N PRO A 41 -2.894 -0.489 -11.386 1.00 1.00 N ATOM 669 CA PRO A 41 -3.982 0.530 -11.383 1.00 1.00 C ATOM 670 C PRO A 41 -5.369 -0.066 -11.644 1.00 1.00 C ATOM 671 O PRO A 41 -6.290 0.121 -10.876 1.00 1.00 O ATOM 672 CB PRO A 41 -3.594 1.471 -12.524 1.00 1.00 C ATOM 673 CG PRO A 41 -2.110 1.341 -12.690 1.00 1.00 C ATOM 674 CD PRO A 41 -1.669 0.040 -12.004 1.00 1.00 C ATOM 0 HA PRO A 41 -4.065 1.014 -10.410 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.113 1.202 -13.444 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -3.871 2.499 -12.291 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -1.845 1.323 -13.747 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.600 2.197 -12.248 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.252 -0.665 -12.723 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -0.898 0.228 -11.257 1.00 1.00 H new ATOM 682 N GLY A 42 -5.525 -0.765 -12.731 1.00 1.00 N ATOM 683 CA GLY A 42 -6.858 -1.356 -13.054 1.00 1.00 C ATOM 684 C GLY A 42 -7.377 -2.179 -11.871 1.00 1.00 C ATOM 685 O GLY A 42 -8.490 -2.003 -11.429 1.00 1.00 O ATOM 0 H GLY A 42 -4.789 -0.955 -13.412 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.567 -0.563 -13.292 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.778 -1.988 -13.938 1.00 1.00 H new ATOM 689 N ARG A 43 -6.582 -3.078 -11.364 1.00 1.00 N ATOM 690 CA ARG A 43 -7.029 -3.921 -10.218 1.00 1.00 C ATOM 691 C ARG A 43 -7.305 -3.045 -8.991 1.00 1.00 C ATOM 692 O ARG A 43 -8.130 -3.371 -8.162 1.00 1.00 O ATOM 693 CB ARG A 43 -5.931 -4.937 -9.879 1.00 1.00 C ATOM 694 CG ARG A 43 -6.012 -6.133 -10.840 1.00 1.00 C ATOM 695 CD ARG A 43 -6.992 -7.174 -10.289 1.00 1.00 C ATOM 696 NE ARG A 43 -7.043 -8.345 -11.210 1.00 1.00 N ATOM 697 CZ ARG A 43 -7.902 -9.304 -10.997 1.00 1.00 C ATOM 698 NH1 ARG A 43 -8.717 -9.237 -9.980 1.00 1.00 N ATOM 699 NH2 ARG A 43 -7.947 -10.330 -11.802 1.00 1.00 N ATOM 0 H ARG A 43 -5.636 -3.267 -11.695 1.00 1.00 H new ATOM 0 HA ARG A 43 -7.946 -4.442 -10.496 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -4.951 -4.465 -9.953 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -6.044 -5.278 -8.850 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.338 -5.799 -11.825 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -5.025 -6.579 -10.965 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -6.679 -7.493 -9.295 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -7.985 -6.736 -10.185 1.00 1.00 H new ATOM 0 HE ARG A 43 -6.407 -8.397 -12.006 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -8.683 -8.435 -9.351 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -9.388 -9.987 -9.814 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -7.311 -10.382 -12.598 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -8.618 -11.080 -11.636 1.00 1.00 H new ATOM 713 N VAL A 44 -6.619 -1.941 -8.858 1.00 1.00 N ATOM 714 CA VAL A 44 -6.849 -1.068 -7.671 1.00 1.00 C ATOM 715 C VAL A 44 -8.137 -0.265 -7.859 1.00 1.00 C ATOM 716 O VAL A 44 -9.050 -0.348 -7.061 1.00 1.00 O ATOM 717 CB VAL A 44 -5.669 -0.110 -7.508 1.00 1.00 C ATOM 718 CG1 VAL A 44 -5.886 0.761 -6.267 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.381 -0.921 -7.346 1.00 1.00 C ATOM 0 H VAL A 44 -5.914 -1.608 -9.515 1.00 1.00 H new ATOM 0 HA VAL A 44 -6.941 -1.689 -6.780 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.591 0.529 -8.388 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.045 1.444 -6.150 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -6.806 1.334 -6.381 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -5.962 0.125 -5.385 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.536 -0.242 -7.229 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.460 -1.557 -6.464 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.229 -1.542 -8.229 1.00 1.00 H new ATOM 729 N LYS A 45 -8.224 0.505 -8.906 1.00 1.00 N ATOM 730 CA LYS A 45 -9.460 1.303 -9.136 1.00 1.00 C ATOM 731 C LYS A 45 -10.630 0.345 -9.362 1.00 1.00 C ATOM 732 O LYS A 45 -11.783 0.703 -9.222 1.00 1.00 O ATOM 733 CB LYS A 45 -9.278 2.193 -10.370 1.00 1.00 C ATOM 734 CG LYS A 45 -9.190 1.320 -11.624 1.00 1.00 C ATOM 735 CD LYS A 45 -8.616 2.142 -12.780 1.00 1.00 C ATOM 736 CE LYS A 45 -9.528 3.337 -13.064 1.00 1.00 C ATOM 737 NZ LYS A 45 -9.200 3.904 -14.402 1.00 1.00 N ATOM 0 H LYS A 45 -7.495 0.617 -9.611 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.659 1.934 -8.270 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.113 2.888 -10.456 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.374 2.793 -10.268 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.559 0.452 -11.432 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.178 0.943 -11.888 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.613 2.489 -12.530 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.526 1.521 -13.671 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -10.572 3.026 -13.035 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.400 4.097 -12.293 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -9.819 4.717 -14.596 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -8.208 4.215 -14.414 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -9.344 3.177 -15.132 1.00 1.00 H new ATOM 751 N ALA A 46 -10.333 -0.875 -9.715 1.00 1.00 N ATOM 752 CA ALA A 46 -11.408 -1.875 -9.959 1.00 1.00 C ATOM 753 C ALA A 46 -11.986 -2.345 -8.622 1.00 1.00 C ATOM 754 O ALA A 46 -13.185 -2.451 -8.456 1.00 1.00 O ATOM 755 CB ALA A 46 -10.816 -3.074 -10.705 1.00 1.00 C ATOM 0 H ALA A 46 -9.383 -1.224 -9.846 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.200 -1.422 -10.555 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.598 -3.811 -10.887 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.401 -2.742 -11.657 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.027 -3.524 -10.103 1.00 1.00 H new ATOM 761 N LEU A 47 -11.143 -2.631 -7.669 1.00 1.00 N ATOM 762 CA LEU A 47 -11.643 -3.100 -6.345 1.00 1.00 C ATOM 763 C LEU A 47 -12.575 -2.041 -5.746 1.00 1.00 C ATOM 764 O LEU A 47 -13.222 -2.273 -4.743 1.00 1.00 O ATOM 765 CB LEU A 47 -10.449 -3.338 -5.405 1.00 1.00 C ATOM 766 CG LEU A 47 -10.170 -4.841 -5.274 1.00 1.00 C ATOM 767 CD1 LEU A 47 -9.666 -5.395 -6.610 1.00 1.00 C ATOM 768 CD2 LEU A 47 -9.105 -5.065 -4.197 1.00 1.00 C ATOM 0 H LEU A 47 -10.129 -2.560 -7.749 1.00 1.00 H new ATOM 0 HA LEU A 47 -12.194 -4.032 -6.470 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.566 -2.829 -5.791 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.659 -2.913 -4.424 1.00 1.00 H new ATOM 0 HG LEU A 47 -11.090 -5.356 -4.996 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -9.470 -6.463 -6.510 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -10.422 -5.235 -7.379 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -8.747 -4.882 -6.893 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -8.904 -6.132 -4.101 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.188 -4.547 -4.478 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -9.464 -4.676 -3.244 1.00 1.00 H new ATOM 780 N CYS A 48 -12.650 -0.883 -6.349 1.00 1.00 N ATOM 781 CA CYS A 48 -13.542 0.190 -5.813 1.00 1.00 C ATOM 782 C CYS A 48 -14.662 0.460 -6.819 1.00 1.00 C ATOM 783 O CYS A 48 -15.347 1.459 -6.746 1.00 1.00 O ATOM 784 CB CYS A 48 -12.728 1.470 -5.595 1.00 1.00 C ATOM 785 SG CYS A 48 -11.990 1.442 -3.944 1.00 1.00 S ATOM 0 H CYS A 48 -12.131 -0.633 -7.191 1.00 1.00 H new ATOM 0 HA CYS A 48 -13.972 -0.129 -4.864 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -11.948 1.551 -6.352 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.370 2.345 -5.703 1.00 1.00 H new ATOM 790 N LYS A 49 -14.847 -0.417 -7.764 1.00 1.00 N ATOM 791 CA LYS A 49 -15.916 -0.205 -8.779 1.00 1.00 C ATOM 792 C LYS A 49 -17.240 -0.794 -8.276 1.00 1.00 C ATOM 793 O LYS A 49 -17.271 -1.845 -7.668 1.00 1.00 O ATOM 794 CB LYS A 49 -15.507 -0.888 -10.089 1.00 1.00 C ATOM 795 CG LYS A 49 -15.767 -2.395 -9.997 1.00 1.00 C ATOM 796 CD LYS A 49 -14.998 -3.117 -11.107 1.00 1.00 C ATOM 797 CE LYS A 49 -15.218 -4.625 -10.982 1.00 1.00 C ATOM 798 NZ LYS A 49 -16.674 -4.905 -10.839 1.00 1.00 N ATOM 0 H LYS A 49 -14.304 -1.273 -7.878 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.050 0.863 -8.949 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.069 -0.464 -10.921 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.452 -0.704 -10.291 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.455 -2.769 -9.022 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -16.834 -2.597 -10.090 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.336 -2.769 -12.083 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -13.935 -2.887 -11.037 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -14.824 -5.135 -11.861 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -14.676 -5.012 -10.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -16.893 -5.829 -11.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -16.928 -4.918 -9.830 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -17.219 -4.164 -11.323 1.00 1.00 H new ATOM 812 N ASN A 50 -18.331 -0.123 -8.533 1.00 1.00 N ATOM 813 CA ASN A 50 -19.659 -0.636 -8.086 1.00 1.00 C ATOM 814 C ASN A 50 -19.809 -0.461 -6.571 1.00 1.00 C ATOM 815 O ASN A 50 -20.850 -0.740 -6.009 1.00 1.00 O ATOM 816 CB ASN A 50 -19.783 -2.123 -8.448 1.00 1.00 C ATOM 817 CG ASN A 50 -21.255 -2.477 -8.674 1.00 1.00 C ATOM 818 OD1 ASN A 50 -21.954 -1.793 -9.395 1.00 1.00 O ATOM 819 ND2 ASN A 50 -21.758 -3.527 -8.084 1.00 1.00 N ATOM 0 H ASN A 50 -18.359 0.764 -9.036 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.445 -0.072 -8.587 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.205 -2.338 -9.347 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -19.370 -2.738 -7.648 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -22.737 -3.773 -8.228 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -21.172 -4.102 -7.479 1.00 1.00 H new ATOM 826 N ILE A 51 -18.786 -0.004 -5.902 1.00 1.00 N ATOM 827 CA ILE A 51 -18.893 0.180 -4.428 1.00 1.00 C ATOM 828 C ILE A 51 -19.713 1.433 -4.128 1.00 1.00 C ATOM 829 O ILE A 51 -20.077 2.180 -5.016 1.00 1.00 O ATOM 830 CB ILE A 51 -17.491 0.324 -3.824 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.679 -0.951 -4.088 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.593 0.562 -2.315 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.420 -2.177 -3.540 1.00 1.00 C ATOM 0 H ILE A 51 -17.886 0.249 -6.310 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.386 -0.688 -3.990 1.00 1.00 H new ATOM 0 HB ILE A 51 -16.992 1.175 -4.288 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.511 -1.068 -5.159 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.699 -0.870 -3.618 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.593 0.663 -1.894 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.159 1.474 -2.128 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.100 -0.282 -1.847 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.832 -3.074 -3.734 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.565 -2.064 -2.466 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.390 -2.265 -4.030 1.00 1.00 H new ATOM 845 N ARG A 52 -20.011 1.664 -2.880 1.00 1.00 N ATOM 846 CA ARG A 52 -20.815 2.864 -2.506 1.00 1.00 C ATOM 847 C ARG A 52 -19.883 3.991 -2.052 1.00 1.00 C ATOM 848 O ARG A 52 -18.779 4.128 -2.535 1.00 1.00 O ATOM 849 CB ARG A 52 -21.767 2.500 -1.364 1.00 1.00 C ATOM 850 CG ARG A 52 -22.654 1.330 -1.791 1.00 1.00 C ATOM 851 CD ARG A 52 -23.839 1.208 -0.831 1.00 1.00 C ATOM 852 NE ARG A 52 -23.340 0.881 0.534 1.00 1.00 N ATOM 853 CZ ARG A 52 -24.174 0.475 1.452 1.00 1.00 C ATOM 854 NH1 ARG A 52 -25.443 0.354 1.175 1.00 1.00 N ATOM 855 NH2 ARG A 52 -23.738 0.188 2.649 1.00 1.00 N ATOM 0 H ARG A 52 -19.732 1.071 -2.098 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.389 3.198 -3.370 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.198 2.232 -0.474 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.383 3.360 -1.102 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.012 1.484 -2.809 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -22.077 0.405 -1.793 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -24.402 2.141 -0.810 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -24.522 0.432 -1.176 1.00 1.00 H new ATOM 0 HE ARG A 52 -22.348 0.974 0.751 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -25.784 0.577 0.240 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -26.094 0.037 1.893 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -22.746 0.281 2.866 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -24.390 -0.129 3.367 1.00 1.00 H new ATOM 869 N ASP A 53 -20.326 4.799 -1.128 1.00 1.00 N ATOM 870 CA ASP A 53 -19.479 5.925 -0.637 1.00 1.00 C ATOM 871 C ASP A 53 -18.422 5.408 0.329 1.00 1.00 C ATOM 872 O ASP A 53 -17.916 4.310 0.201 1.00 1.00 O ATOM 873 CB ASP A 53 -20.364 6.944 0.084 1.00 1.00 C ATOM 874 CG ASP A 53 -21.617 7.214 -0.752 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.491 7.295 -1.962 1.00 1.00 O ATOM 876 OD2 ASP A 53 -22.680 7.336 -0.166 1.00 1.00 O ATOM 0 H ASP A 53 -21.244 4.728 -0.689 1.00 1.00 H new ATOM 0 HA ASP A 53 -18.984 6.394 -1.488 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -20.644 6.567 1.067 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -19.814 7.871 0.243 1.00 1.00 H new ATOM 881 N ASN A 54 -18.082 6.211 1.286 1.00 1.00 N ATOM 882 CA ASN A 54 -17.044 5.813 2.279 1.00 1.00 C ATOM 883 C ASN A 54 -17.538 4.616 3.091 1.00 1.00 C ATOM 884 O ASN A 54 -18.421 4.728 3.919 1.00 1.00 O ATOM 885 CB ASN A 54 -16.764 6.986 3.221 1.00 1.00 C ATOM 886 CG ASN A 54 -18.018 7.300 4.039 1.00 1.00 C ATOM 887 OD1 ASN A 54 -17.927 7.707 5.180 1.00 1.00 O ATOM 888 ND2 ASN A 54 -19.195 7.126 3.502 1.00 1.00 N ATOM 0 H ASN A 54 -18.480 7.139 1.430 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.129 5.539 1.753 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -15.936 6.741 3.886 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.463 7.862 2.647 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -20.037 7.332 4.040 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -19.273 6.784 2.544 1.00 1.00 H new ATOM 895 N THR A 55 -16.962 3.467 2.858 1.00 1.00 N ATOM 896 CA THR A 55 -17.372 2.248 3.608 1.00 1.00 C ATOM 897 C THR A 55 -16.140 1.368 3.826 1.00 1.00 C ATOM 898 O THR A 55 -15.139 1.510 3.151 1.00 1.00 O ATOM 899 CB THR A 55 -18.425 1.476 2.801 1.00 1.00 C ATOM 900 OG1 THR A 55 -19.099 2.372 1.928 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.438 0.830 3.750 1.00 1.00 C ATOM 0 H THR A 55 -16.219 3.321 2.174 1.00 1.00 H new ATOM 0 HA THR A 55 -17.800 2.529 4.570 1.00 1.00 H new ATOM 0 HB THR A 55 -17.932 0.697 2.219 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.771 1.881 1.410 1.00 1.00 H new ATOM 0 HG21 THR A 55 -20.182 0.284 3.171 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.922 0.141 4.419 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.932 1.604 4.337 1.00 1.00 H new ATOM 909 N ASP A 56 -16.200 0.470 4.769 1.00 1.00 N ATOM 910 CA ASP A 56 -15.026 -0.410 5.037 1.00 1.00 C ATOM 911 C ASP A 56 -15.100 -1.659 4.159 1.00 1.00 C ATOM 912 O ASP A 56 -16.004 -2.463 4.279 1.00 1.00 O ATOM 913 CB ASP A 56 -15.028 -0.825 6.509 1.00 1.00 C ATOM 914 CG ASP A 56 -16.441 -1.244 6.922 1.00 1.00 C ATOM 915 OD1 ASP A 56 -16.790 -2.390 6.686 1.00 1.00 O ATOM 916 OD2 ASP A 56 -17.150 -0.413 7.464 1.00 1.00 O ATOM 0 H ASP A 56 -17.010 0.306 5.366 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.110 0.135 4.809 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -14.333 -1.650 6.666 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.687 0.002 7.131 1.00 1.00 H new ATOM 921 N VAL A 57 -14.146 -1.832 3.282 1.00 1.00 N ATOM 922 CA VAL A 57 -14.140 -3.033 2.395 1.00 1.00 C ATOM 923 C VAL A 57 -12.958 -3.928 2.775 1.00 1.00 C ATOM 924 O VAL A 57 -12.201 -3.620 3.674 1.00 1.00 O ATOM 925 CB VAL A 57 -14.014 -2.592 0.935 1.00 1.00 C ATOM 926 CG1 VAL A 57 -15.306 -1.895 0.503 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.841 -1.621 0.788 1.00 1.00 C ATOM 0 H VAL A 57 -13.366 -1.189 3.141 1.00 1.00 H new ATOM 0 HA VAL A 57 -15.070 -3.588 2.517 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.840 -3.466 0.308 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -15.219 -1.580 -0.537 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -16.143 -2.586 0.604 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -15.477 -1.023 1.134 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.755 -1.309 -0.253 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -13.012 -0.746 1.416 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.919 -2.114 1.097 1.00 1.00 H new ATOM 937 N LEU A 58 -12.803 -5.043 2.117 1.00 1.00 N ATOM 938 CA LEU A 58 -11.680 -5.960 2.465 1.00 1.00 C ATOM 939 C LEU A 58 -11.411 -6.905 1.289 1.00 1.00 C ATOM 940 O LEU A 58 -12.326 -7.374 0.643 1.00 1.00 O ATOM 941 CB LEU A 58 -12.085 -6.761 3.709 1.00 1.00 C ATOM 942 CG LEU A 58 -11.072 -7.873 4.002 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.663 -7.297 4.057 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.393 -8.488 5.360 1.00 1.00 C ATOM 0 H LEU A 58 -13.403 -5.359 1.355 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.771 -5.394 2.670 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -12.156 -6.094 4.568 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -13.074 -7.195 3.560 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.129 -8.624 3.214 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -8.951 -8.096 4.266 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -9.421 -6.836 3.099 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.607 -6.546 4.845 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.678 -9.281 5.579 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -11.330 -7.720 6.131 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -12.401 -8.903 5.342 1.00 1.00 H new ATOM 956 N SER A 59 -10.165 -7.187 0.998 1.00 1.00 N ATOM 957 CA SER A 59 -9.872 -8.098 -0.145 1.00 1.00 C ATOM 958 C SER A 59 -10.635 -9.411 0.050 1.00 1.00 C ATOM 959 O SER A 59 -11.025 -9.759 1.146 1.00 1.00 O ATOM 960 CB SER A 59 -8.367 -8.369 -0.219 1.00 1.00 C ATOM 961 OG SER A 59 -8.148 -9.670 -0.747 1.00 1.00 O ATOM 0 H SER A 59 -9.350 -6.830 1.496 1.00 1.00 H new ATOM 0 HA SER A 59 -10.190 -7.631 -1.077 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.882 -7.623 -0.848 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.922 -8.287 0.773 1.00 1.00 H new ATOM 0 HG SER A 59 -7.429 -9.636 -1.412 1.00 1.00 H new ATOM 967 N ARG A 60 -10.876 -10.131 -1.013 1.00 1.00 N ATOM 968 CA ARG A 60 -11.639 -11.409 -0.897 1.00 1.00 C ATOM 969 C ARG A 60 -10.680 -12.587 -0.722 1.00 1.00 C ATOM 970 O ARG A 60 -11.098 -13.720 -0.587 1.00 1.00 O ATOM 971 CB ARG A 60 -12.464 -11.618 -2.166 1.00 1.00 C ATOM 972 CG ARG A 60 -11.599 -11.318 -3.393 1.00 1.00 C ATOM 973 CD ARG A 60 -12.287 -11.860 -4.648 1.00 1.00 C ATOM 974 NE ARG A 60 -11.431 -11.595 -5.837 1.00 1.00 N ATOM 975 CZ ARG A 60 -11.931 -11.703 -7.038 1.00 1.00 C ATOM 976 NH1 ARG A 60 -13.181 -12.044 -7.196 1.00 1.00 N ATOM 977 NH2 ARG A 60 -11.181 -11.472 -8.081 1.00 1.00 N ATOM 0 H ARG A 60 -10.577 -9.889 -1.958 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.294 -11.353 -0.028 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -12.831 -12.643 -2.209 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -13.338 -10.966 -2.156 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -11.442 -10.243 -3.487 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -10.616 -11.775 -3.278 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -12.464 -12.931 -4.545 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -13.261 -11.387 -4.775 1.00 1.00 H new ATOM 0 HE ARG A 60 -10.454 -11.329 -5.713 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -13.767 -12.226 -6.381 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -13.572 -12.128 -8.134 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -10.204 -11.207 -7.958 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -11.572 -11.557 -9.019 1.00 1.00 H new ATOM 991 N ASP A 61 -9.401 -12.339 -0.726 1.00 1.00 N ATOM 992 CA ASP A 61 -8.432 -13.461 -0.563 1.00 1.00 C ATOM 993 C ASP A 61 -7.143 -12.951 0.075 1.00 1.00 C ATOM 994 O ASP A 61 -7.015 -12.900 1.282 1.00 1.00 O ATOM 995 CB ASP A 61 -8.120 -14.068 -1.932 1.00 1.00 C ATOM 996 CG ASP A 61 -7.055 -15.156 -1.777 1.00 1.00 C ATOM 997 OD1 ASP A 61 -7.384 -16.210 -1.257 1.00 1.00 O ATOM 998 OD2 ASP A 61 -5.929 -14.916 -2.181 1.00 1.00 O ATOM 0 H ASP A 61 -8.985 -11.414 -0.834 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.872 -14.221 0.083 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -9.025 -14.490 -2.369 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.768 -13.294 -2.613 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.178 -12.580 -0.722 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.896 -12.087 -0.147 1.00 1.00 C ATOM 1005 C ALA A 62 -4.269 -11.048 -1.076 1.00 1.00 C ATOM 1006 O ALA A 62 -4.702 -10.855 -2.195 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.933 -13.263 0.026 1.00 1.00 C ATOM 0 H ALA A 62 -6.222 -12.597 -1.741 1.00 1.00 H new ATOM 0 HA ALA A 62 -5.092 -11.626 0.821 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.993 -12.905 0.447 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.374 -13.999 0.698 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.744 -13.724 -0.943 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.246 -10.380 -0.617 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.576 -9.353 -1.463 1.00 1.00 C ATOM 1015 C PHE A 63 -1.108 -9.249 -1.045 1.00 1.00 C ATOM 1016 O PHE A 63 -0.792 -9.127 0.122 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.270 -7.997 -1.270 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.353 -7.826 -2.312 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.615 -8.397 -2.111 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.092 -7.096 -3.477 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.617 -8.239 -3.078 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.093 -6.938 -4.443 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.355 -7.509 -4.244 1.00 1.00 C ATOM 0 H PHE A 63 -2.844 -10.502 0.312 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.639 -9.637 -2.513 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.701 -7.937 -0.271 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.542 -7.190 -1.352 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.817 -8.959 -1.211 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.118 -6.655 -3.631 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.591 -8.680 -2.924 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -4.891 -6.375 -5.342 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.127 -7.387 -4.990 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.210 -9.307 -1.991 1.00 1.00 N ATOM 1034 CA LEU A 64 1.239 -9.222 -1.656 1.00 1.00 C ATOM 1035 C LEU A 64 1.632 -7.760 -1.448 1.00 1.00 C ATOM 1036 O LEU A 64 1.612 -6.971 -2.370 1.00 1.00 O ATOM 1037 CB LEU A 64 2.056 -9.804 -2.817 1.00 1.00 C ATOM 1038 CG LEU A 64 3.487 -10.134 -2.355 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.059 -11.255 -3.225 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.381 -8.893 -2.487 1.00 1.00 C ATOM 0 H LEU A 64 -0.419 -9.410 -2.984 1.00 1.00 H new ATOM 0 HA LEU A 64 1.437 -9.784 -0.743 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.572 -10.705 -3.195 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.088 -9.091 -3.641 1.00 1.00 H new ATOM 0 HG LEU A 64 3.458 -10.451 -1.312 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.072 -11.489 -2.898 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.434 -12.143 -3.132 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.079 -10.933 -4.266 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.391 -9.136 -2.158 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.406 -8.572 -3.528 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.981 -8.089 -1.869 1.00 1.00 H new ATOM 1052 N LEU A 65 1.992 -7.385 -0.246 1.00 1.00 N ATOM 1053 CA LEU A 65 2.392 -5.967 -0.003 1.00 1.00 C ATOM 1054 C LEU A 65 3.827 -5.910 0.537 1.00 1.00 C ATOM 1055 O LEU A 65 4.171 -6.612 1.468 1.00 1.00 O ATOM 1056 CB LEU A 65 1.465 -5.300 1.027 1.00 1.00 C ATOM 1057 CG LEU A 65 0.441 -6.282 1.582 1.00 1.00 C ATOM 1058 CD1 LEU A 65 -0.060 -5.738 2.921 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.732 -6.396 0.601 1.00 1.00 C ATOM 0 H LEU A 65 2.026 -7.995 0.571 1.00 1.00 H new ATOM 0 HA LEU A 65 2.321 -5.437 -0.953 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.061 -4.895 1.845 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.949 -4.460 0.562 1.00 1.00 H new ATOM 0 HG LEU A 65 0.888 -7.267 1.719 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.796 -6.424 3.340 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.779 -5.640 3.610 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.520 -4.762 2.768 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.468 -7.098 0.994 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.196 -5.418 0.473 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.367 -6.753 -0.362 1.00 1.00 H new ATOM 1071 N PRO A 66 4.651 -5.052 -0.013 1.00 1.00 N ATOM 1072 CA PRO A 66 6.052 -4.878 0.459 1.00 1.00 C ATOM 1073 C PRO A 66 6.083 -4.087 1.772 1.00 1.00 C ATOM 1074 O PRO A 66 5.144 -3.388 2.096 1.00 1.00 O ATOM 1075 CB PRO A 66 6.728 -4.097 -0.671 1.00 1.00 C ATOM 1076 CG PRO A 66 5.626 -3.364 -1.368 1.00 1.00 C ATOM 1077 CD PRO A 66 4.340 -4.161 -1.144 1.00 1.00 C ATOM 0 HA PRO A 66 6.551 -5.825 0.666 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.472 -3.404 -0.278 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.247 -4.768 -1.356 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.526 -2.353 -0.972 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.840 -3.270 -2.433 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.501 -3.504 -0.913 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.065 -4.729 -2.033 1.00 1.00 H new ATOM 1085 N GLN A 67 7.133 -4.193 2.540 1.00 1.00 N ATOM 1086 CA GLN A 67 7.183 -3.440 3.829 1.00 1.00 C ATOM 1087 C GLN A 67 8.621 -3.012 4.132 1.00 1.00 C ATOM 1088 O GLN A 67 9.532 -3.814 4.108 1.00 1.00 O ATOM 1089 CB GLN A 67 6.671 -4.331 4.964 1.00 1.00 C ATOM 1090 CG GLN A 67 5.313 -4.923 4.581 1.00 1.00 C ATOM 1091 CD GLN A 67 4.711 -5.642 5.789 1.00 1.00 C ATOM 1092 OE1 GLN A 67 3.519 -5.580 6.017 1.00 1.00 O ATOM 1093 NE2 GLN A 67 5.491 -6.327 6.581 1.00 1.00 N ATOM 0 H GLN A 67 7.953 -4.763 2.334 1.00 1.00 H new ATOM 0 HA GLN A 67 6.555 -2.553 3.745 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.385 -5.131 5.162 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.580 -3.751 5.882 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.642 -4.133 4.243 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.429 -5.619 3.751 1.00 1.00 H new ATOM 0 HE21 GLN A 67 6.492 -6.380 6.391 1.00 1.00 H new ATOM 0 HE22 GLN A 67 5.100 -6.809 7.390 1.00 1.00 H new ATOM 1102 N CYS A 68 8.829 -1.753 4.430 1.00 1.00 N ATOM 1103 CA CYS A 68 10.210 -1.278 4.748 1.00 1.00 C ATOM 1104 C CYS A 68 10.334 -1.068 6.260 1.00 1.00 C ATOM 1105 O CYS A 68 9.576 -0.322 6.849 1.00 1.00 O ATOM 1106 CB CYS A 68 10.467 0.044 4.026 1.00 1.00 C ATOM 1107 SG CYS A 68 10.132 -0.168 2.261 1.00 1.00 S ATOM 0 H CYS A 68 8.104 -1.036 4.467 1.00 1.00 H new ATOM 0 HA CYS A 68 10.940 -2.018 4.421 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.830 0.827 4.438 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.499 0.360 4.177 1.00 1.00 H new ATOM 1112 N ASP A 69 11.273 -1.725 6.897 1.00 1.00 N ATOM 1113 CA ASP A 69 11.425 -1.561 8.379 1.00 1.00 C ATOM 1114 C ASP A 69 12.871 -1.190 8.732 1.00 1.00 C ATOM 1115 O ASP A 69 13.806 -1.856 8.338 1.00 1.00 O ATOM 1116 CB ASP A 69 11.062 -2.876 9.071 1.00 1.00 C ATOM 1117 CG ASP A 69 11.262 -2.733 10.581 1.00 1.00 C ATOM 1118 OD1 ASP A 69 12.383 -2.909 11.028 1.00 1.00 O ATOM 1119 OD2 ASP A 69 10.292 -2.450 11.263 1.00 1.00 O ATOM 0 H ASP A 69 11.937 -2.364 6.459 1.00 1.00 H new ATOM 0 HA ASP A 69 10.763 -0.763 8.715 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.027 -3.139 8.854 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.683 -3.685 8.687 1.00 1.00 H new ATOM 1124 N ARG A 70 13.057 -0.131 9.481 1.00 1.00 N ATOM 1125 CA ARG A 70 14.440 0.281 9.869 1.00 1.00 C ATOM 1126 C ARG A 70 14.794 -0.330 11.226 1.00 1.00 C ATOM 1127 O ARG A 70 13.931 -0.721 11.988 1.00 1.00 O ATOM 1128 CB ARG A 70 14.513 1.809 9.962 1.00 1.00 C ATOM 1129 CG ARG A 70 15.983 2.267 10.049 1.00 1.00 C ATOM 1130 CD ARG A 70 16.242 2.958 11.392 1.00 1.00 C ATOM 1131 NE ARG A 70 15.697 2.122 12.499 1.00 1.00 N ATOM 1132 CZ ARG A 70 16.087 2.331 13.726 1.00 1.00 C ATOM 1133 NH1 ARG A 70 16.958 3.269 13.984 1.00 1.00 N ATOM 1134 NH2 ARG A 70 15.608 1.601 14.697 1.00 1.00 N ATOM 0 H ARG A 70 12.311 0.465 9.840 1.00 1.00 H new ATOM 0 HA ARG A 70 15.146 -0.071 9.117 1.00 1.00 H new ATOM 0 HB2 ARG A 70 14.036 2.257 9.090 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.964 2.154 10.838 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.646 1.409 9.939 1.00 1.00 H new ATOM 0 HG3 ARG A 70 16.208 2.951 9.230 1.00 1.00 H new ATOM 0 HD2 ARG A 70 17.312 3.112 11.532 1.00 1.00 H new ATOM 0 HD3 ARG A 70 15.774 3.942 11.402 1.00 1.00 H new ATOM 0 HE ARG A 70 15.019 1.387 12.297 1.00 1.00 H new ATOM 0 HH11 ARG A 70 17.334 3.839 13.226 1.00 1.00 H new ATOM 0 HH12 ARG A 70 17.263 3.432 14.944 1.00 1.00 H new ATOM 0 HH21 ARG A 70 14.929 0.867 14.496 1.00 1.00 H new ATOM 0 HH22 ARG A 70 15.913 1.765 15.656 1.00 1.00 H new ATOM 1148 N ILE A 71 16.060 -0.415 11.535 1.00 1.00 N ATOM 1149 CA ILE A 71 16.473 -1.003 12.842 1.00 1.00 C ATOM 1150 C ILE A 71 17.968 -0.754 13.068 1.00 1.00 C ATOM 1151 O ILE A 71 18.419 -0.617 14.188 1.00 1.00 O ATOM 1152 CB ILE A 71 16.200 -2.508 12.832 1.00 1.00 C ATOM 1153 CG1 ILE A 71 16.652 -3.116 14.163 1.00 1.00 C ATOM 1154 CG2 ILE A 71 16.974 -3.160 11.685 1.00 1.00 C ATOM 1155 CD1 ILE A 71 16.060 -4.520 14.308 1.00 1.00 C ATOM 0 H ILE A 71 16.826 -0.103 10.939 1.00 1.00 H new ATOM 0 HA ILE A 71 15.904 -0.536 13.646 1.00 1.00 H new ATOM 0 HB ILE A 71 15.133 -2.683 12.695 1.00 1.00 H new ATOM 0 HG12 ILE A 71 17.740 -3.162 14.203 1.00 1.00 H new ATOM 0 HG13 ILE A 71 16.329 -2.486 14.992 1.00 1.00 H new ATOM 0 HG21 ILE A 71 16.779 -4.232 11.678 1.00 1.00 H new ATOM 0 HG22 ILE A 71 16.654 -2.727 10.737 1.00 1.00 H new ATOM 0 HG23 ILE A 71 18.041 -2.986 11.821 1.00 1.00 H new ATOM 0 HD11 ILE A 71 16.381 -4.954 15.255 1.00 1.00 H new ATOM 0 HD12 ILE A 71 14.972 -4.460 14.286 1.00 1.00 H new ATOM 0 HD13 ILE A 71 16.405 -5.147 13.486 1.00 1.00 H new ATOM 1167 N LYS A 72 18.739 -0.696 12.012 1.00 1.00 N ATOM 1168 CA LYS A 72 20.206 -0.455 12.158 1.00 1.00 C ATOM 1169 C LYS A 72 20.634 0.651 11.190 1.00 1.00 C ATOM 1170 O LYS A 72 19.854 1.119 10.385 1.00 1.00 O ATOM 1171 CB LYS A 72 20.970 -1.742 11.835 1.00 1.00 C ATOM 1172 CG LYS A 72 20.913 -2.687 13.038 1.00 1.00 C ATOM 1173 CD LYS A 72 21.572 -4.020 12.675 1.00 1.00 C ATOM 1174 CE LYS A 72 21.783 -4.848 13.942 1.00 1.00 C ATOM 1175 NZ LYS A 72 22.066 -6.263 13.570 1.00 1.00 N ATOM 0 H LYS A 72 18.414 -0.806 11.051 1.00 1.00 H new ATOM 0 HA LYS A 72 20.427 -0.151 13.181 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.536 -2.225 10.959 1.00 1.00 H new ATOM 0 HB3 LYS A 72 22.007 -1.510 11.590 1.00 1.00 H new ATOM 0 HG2 LYS A 72 21.423 -2.238 13.890 1.00 1.00 H new ATOM 0 HG3 LYS A 72 19.877 -2.851 13.336 1.00 1.00 H new ATOM 0 HD2 LYS A 72 20.946 -4.567 11.971 1.00 1.00 H new ATOM 0 HD3 LYS A 72 22.527 -3.843 12.181 1.00 1.00 H new ATOM 0 HE2 LYS A 72 22.611 -4.441 14.522 1.00 1.00 H new ATOM 0 HE3 LYS A 72 20.896 -4.797 14.574 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 22.210 -6.827 14.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 21.262 -6.649 13.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 22.924 -6.303 12.984 1.00 1.00 H new ATOM 1189 N LEU A 73 21.866 1.077 11.264 1.00 1.00 N ATOM 1190 CA LEU A 73 22.336 2.156 10.350 1.00 1.00 C ATOM 1191 C LEU A 73 21.389 3.361 10.490 1.00 1.00 C ATOM 1192 O LEU A 73 20.405 3.289 11.199 1.00 1.00 O ATOM 1193 CB LEU A 73 22.337 1.632 8.907 1.00 1.00 C ATOM 1194 CG LEU A 73 22.775 0.162 8.893 1.00 1.00 C ATOM 1195 CD1 LEU A 73 22.938 -0.310 7.447 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.114 0.022 9.625 1.00 1.00 C ATOM 0 H LEU A 73 22.566 0.725 11.917 1.00 1.00 H new ATOM 0 HA LEU A 73 23.350 2.464 10.607 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.342 1.729 8.473 1.00 1.00 H new ATOM 0 HB3 LEU A 73 23.012 2.229 8.293 1.00 1.00 H new ATOM 0 HG LEU A 73 22.019 -0.445 9.392 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.249 -1.355 7.438 1.00 1.00 H new ATOM 0 HD12 LEU A 73 21.988 -0.210 6.922 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.693 0.298 6.949 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.426 -1.022 9.616 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.867 0.631 9.125 1.00 1.00 H new ATOM 0 HD23 LEU A 73 24.002 0.358 10.656 1.00 1.00 H new ATOM 1208 N PRO A 74 21.681 4.464 9.843 1.00 1.00 N ATOM 1209 CA PRO A 74 20.840 5.684 9.932 1.00 1.00 C ATOM 1210 C PRO A 74 19.712 5.712 8.893 1.00 1.00 C ATOM 1211 O PRO A 74 18.598 6.091 9.192 1.00 1.00 O ATOM 1212 CB PRO A 74 21.841 6.814 9.682 1.00 1.00 C ATOM 1213 CG PRO A 74 22.935 6.216 8.842 1.00 1.00 C ATOM 1214 CD PRO A 74 22.832 4.685 8.956 1.00 1.00 C ATOM 0 HA PRO A 74 20.324 5.753 10.890 1.00 1.00 H new ATOM 0 HB2 PRO A 74 21.366 7.650 9.168 1.00 1.00 H new ATOM 0 HB3 PRO A 74 22.237 7.201 10.621 1.00 1.00 H new ATOM 0 HG2 PRO A 74 22.833 6.529 7.803 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.911 6.560 9.185 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.677 4.223 7.981 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.743 4.255 9.372 1.00 1.00 H new ATOM 1222 N CYS A 75 19.990 5.321 7.676 1.00 1.00 N ATOM 1223 CA CYS A 75 18.927 5.336 6.626 1.00 1.00 C ATOM 1224 C CYS A 75 18.928 4.011 5.859 1.00 1.00 C ATOM 1225 O CYS A 75 19.188 3.969 4.673 1.00 1.00 O ATOM 1226 CB CYS A 75 19.185 6.492 5.655 1.00 1.00 C ATOM 1227 SG CYS A 75 17.647 6.914 4.797 1.00 1.00 S ATOM 0 H CYS A 75 20.904 4.993 7.364 1.00 1.00 H new ATOM 0 HA CYS A 75 17.956 5.469 7.103 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.561 7.359 6.197 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.951 6.210 4.933 1.00 1.00 H new ATOM 1232 N HIS A 76 18.626 2.933 6.529 1.00 1.00 N ATOM 1233 CA HIS A 76 18.589 1.604 5.850 1.00 1.00 C ATOM 1234 C HIS A 76 17.383 0.823 6.371 1.00 1.00 C ATOM 1235 O HIS A 76 16.996 0.964 7.514 1.00 1.00 O ATOM 1236 CB HIS A 76 19.870 0.830 6.164 1.00 1.00 C ATOM 1237 CG HIS A 76 19.958 -0.375 5.268 1.00 1.00 C ATOM 1238 ND1 HIS A 76 20.280 -0.275 3.923 1.00 1.00 N ATOM 1239 CD2 HIS A 76 19.770 -1.715 5.511 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.274 -1.520 3.410 1.00 1.00 C ATOM 1241 NE2 HIS A 76 19.970 -2.430 4.336 1.00 1.00 N ATOM 0 H HIS A 76 18.402 2.914 7.524 1.00 1.00 H new ATOM 0 HA HIS A 76 18.510 1.741 4.772 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.740 1.470 6.017 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.874 0.521 7.209 1.00 1.00 H new ATOM 0 HD2 HIS A 76 19.508 -2.145 6.466 1.00 1.00 H new ATOM 0 HE1 HIS A 76 20.489 -1.752 2.377 1.00 1.00 H new ATOM 0 HE2 HIS A 76 19.899 -3.440 4.209 1.00 1.00 H new ATOM 1250 N TYR A 77 16.775 0.011 5.547 1.00 1.00 N ATOM 1251 CA TYR A 77 15.585 -0.761 6.014 1.00 1.00 C ATOM 1252 C TYR A 77 15.662 -2.205 5.519 1.00 1.00 C ATOM 1253 O TYR A 77 16.472 -2.548 4.683 1.00 1.00 O ATOM 1254 CB TYR A 77 14.306 -0.110 5.474 1.00 1.00 C ATOM 1255 CG TYR A 77 14.524 1.375 5.299 1.00 1.00 C ATOM 1256 CD1 TYR A 77 15.354 1.844 4.274 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.894 2.281 6.161 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.555 3.219 4.112 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.095 3.656 5.998 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.926 4.125 4.974 1.00 1.00 C ATOM 1261 OH TYR A 77 15.123 5.479 4.811 1.00 1.00 O ATOM 0 H TYR A 77 17.048 -0.151 4.578 1.00 1.00 H new ATOM 0 HA TYR A 77 15.571 -0.757 7.104 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.031 -0.562 4.521 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.478 -0.287 6.161 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.839 1.145 3.609 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.253 1.919 6.951 1.00 1.00 H new ATOM 0 HE1 TYR A 77 16.196 3.582 3.322 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.609 4.355 6.662 1.00 1.00 H new ATOM 0 HH TYR A 77 15.954 5.745 5.257 1.00 1.00 H new ATOM 1271 N LYS A 78 14.804 -3.047 6.032 1.00 1.00 N ATOM 1272 CA LYS A 78 14.789 -4.472 5.604 1.00 1.00 C ATOM 1273 C LYS A 78 13.561 -4.703 4.725 1.00 1.00 C ATOM 1274 O LYS A 78 12.525 -4.092 4.918 1.00 1.00 O ATOM 1275 CB LYS A 78 14.714 -5.377 6.838 1.00 1.00 C ATOM 1276 CG LYS A 78 15.067 -6.819 6.448 1.00 1.00 C ATOM 1277 CD LYS A 78 16.583 -7.023 6.524 1.00 1.00 C ATOM 1278 CE LYS A 78 16.922 -8.471 6.168 1.00 1.00 C ATOM 1279 NZ LYS A 78 16.574 -9.359 7.314 1.00 1.00 N ATOM 0 H LYS A 78 14.107 -2.803 6.736 1.00 1.00 H new ATOM 0 HA LYS A 78 15.696 -4.704 5.047 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.401 -5.019 7.605 1.00 1.00 H new ATOM 0 HB3 LYS A 78 13.712 -5.341 7.266 1.00 1.00 H new ATOM 0 HG2 LYS A 78 14.563 -7.519 7.115 1.00 1.00 H new ATOM 0 HG3 LYS A 78 14.713 -7.029 5.439 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.087 -6.341 5.839 1.00 1.00 H new ATOM 0 HD3 LYS A 78 16.942 -6.790 7.527 1.00 1.00 H new ATOM 0 HE2 LYS A 78 16.372 -8.776 5.278 1.00 1.00 H new ATOM 0 HE3 LYS A 78 17.983 -8.560 5.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 16.971 -10.307 7.152 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 16.969 -8.964 8.191 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 15.540 -9.427 7.399 1.00 1.00 H new ATOM 1293 N LEU A 79 13.675 -5.571 3.755 1.00 1.00 N ATOM 1294 CA LEU A 79 12.524 -5.842 2.846 1.00 1.00 C ATOM 1295 C LEU A 79 11.709 -7.023 3.381 1.00 1.00 C ATOM 1296 O LEU A 79 12.221 -8.107 3.579 1.00 1.00 O ATOM 1297 CB LEU A 79 13.060 -6.175 1.447 1.00 1.00 C ATOM 1298 CG LEU A 79 12.033 -5.775 0.384 1.00 1.00 C ATOM 1299 CD1 LEU A 79 12.599 -6.074 -1.006 1.00 1.00 C ATOM 1300 CD2 LEU A 79 10.739 -6.570 0.590 1.00 1.00 C ATOM 0 H LEU A 79 14.520 -6.106 3.553 1.00 1.00 H new ATOM 0 HA LEU A 79 11.882 -4.963 2.794 1.00 1.00 H new ATOM 0 HB2 LEU A 79 13.999 -5.649 1.274 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.274 -7.241 1.375 1.00 1.00 H new ATOM 0 HG LEU A 79 11.819 -4.710 0.471 1.00 1.00 H new ATOM 0 HD11 LEU A 79 11.870 -5.790 -1.765 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.517 -5.506 -1.155 1.00 1.00 H new ATOM 0 HD13 LEU A 79 12.814 -7.139 -1.090 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.011 -6.283 -0.168 1.00 1.00 H new ATOM 0 HD22 LEU A 79 10.950 -7.636 0.505 1.00 1.00 H new ATOM 0 HD23 LEU A 79 10.335 -6.358 1.580 1.00 1.00 H new ATOM 1312 N SER A 80 10.439 -6.819 3.607 1.00 1.00 N ATOM 1313 CA SER A 80 9.576 -7.923 4.119 1.00 1.00 C ATOM 1314 C SER A 80 8.195 -7.808 3.474 1.00 1.00 C ATOM 1315 O SER A 80 7.598 -6.751 3.457 1.00 1.00 O ATOM 1316 CB SER A 80 9.443 -7.805 5.638 1.00 1.00 C ATOM 1317 OG SER A 80 8.470 -8.734 6.097 1.00 1.00 O ATOM 0 H SER A 80 9.960 -5.931 3.458 1.00 1.00 H new ATOM 0 HA SER A 80 10.021 -8.887 3.873 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.403 -8.001 6.115 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.152 -6.791 5.912 1.00 1.00 H new ATOM 0 HG SER A 80 8.383 -8.663 7.071 1.00 1.00 H new ATOM 1323 N SER A 81 7.682 -8.881 2.934 1.00 1.00 N ATOM 1324 CA SER A 81 6.341 -8.815 2.282 1.00 1.00 C ATOM 1325 C SER A 81 5.585 -10.124 2.515 1.00 1.00 C ATOM 1326 O SER A 81 6.166 -11.145 2.822 1.00 1.00 O ATOM 1327 CB SER A 81 6.519 -8.594 0.779 1.00 1.00 C ATOM 1328 OG SER A 81 6.642 -9.853 0.131 1.00 1.00 O ATOM 0 H SER A 81 8.131 -9.797 2.916 1.00 1.00 H new ATOM 0 HA SER A 81 5.773 -7.990 2.712 1.00 1.00 H new ATOM 0 HB2 SER A 81 5.667 -8.047 0.377 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.405 -7.987 0.591 1.00 1.00 H new ATOM 0 HG SER A 81 7.063 -9.730 -0.745 1.00 1.00 H new ATOM 1334 N SER A 82 4.289 -10.098 2.365 1.00 1.00 N ATOM 1335 CA SER A 82 3.485 -11.335 2.571 1.00 1.00 C ATOM 1336 C SER A 82 2.132 -11.172 1.888 1.00 1.00 C ATOM 1337 O SER A 82 1.720 -10.076 1.557 1.00 1.00 O ATOM 1338 CB SER A 82 3.282 -11.576 4.067 1.00 1.00 C ATOM 1339 OG SER A 82 2.864 -10.367 4.686 1.00 1.00 O ATOM 0 H SER A 82 3.751 -9.270 2.108 1.00 1.00 H new ATOM 0 HA SER A 82 4.011 -12.188 2.142 1.00 1.00 H new ATOM 0 HB2 SER A 82 2.536 -12.355 4.223 1.00 1.00 H new ATOM 0 HB3 SER A 82 4.209 -11.928 4.519 1.00 1.00 H new ATOM 0 HG SER A 82 2.731 -10.519 5.645 1.00 1.00 H new ATOM 1345 N THR A 83 1.445 -12.257 1.655 1.00 1.00 N ATOM 1346 CA THR A 83 0.135 -12.184 0.976 1.00 1.00 C ATOM 1347 C THR A 83 -0.991 -12.420 1.985 1.00 1.00 C ATOM 1348 O THR A 83 -1.093 -13.472 2.585 1.00 1.00 O ATOM 1349 CB THR A 83 0.110 -13.270 -0.096 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.083 -14.257 0.216 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.433 -12.651 -1.453 1.00 1.00 C ATOM 0 H THR A 83 1.745 -13.198 1.912 1.00 1.00 H new ATOM 0 HA THR A 83 -0.010 -11.201 0.528 1.00 1.00 H new ATOM 0 HB THR A 83 -0.879 -13.728 -0.132 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.069 -14.958 -0.469 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.416 -13.426 -2.220 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.309 -11.888 -1.691 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.423 -12.196 -1.419 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.840 -11.448 2.169 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.965 -11.613 3.131 1.00 1.00 C ATOM 1361 C ASN A 84 -4.058 -10.591 2.816 1.00 1.00 C ATOM 1362 O ASN A 84 -3.800 -9.563 2.219 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.455 -11.394 4.556 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.755 -10.037 4.644 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -2.136 -9.098 3.974 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -0.736 -9.894 5.449 1.00 1.00 N ATOM 0 H ASN A 84 -1.803 -10.546 1.694 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.373 -12.620 3.044 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -3.285 -11.433 5.261 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.764 -12.190 4.833 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -0.260 -8.994 5.515 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -0.416 -10.682 6.012 1.00 1.00 H new ATOM 1373 N THR A 85 -5.276 -10.859 3.208 1.00 1.00 N ATOM 1374 CA THR A 85 -6.375 -9.901 2.932 1.00 1.00 C ATOM 1375 C THR A 85 -6.099 -8.606 3.699 1.00 1.00 C ATOM 1376 O THR A 85 -5.422 -8.609 4.710 1.00 1.00 O ATOM 1377 CB THR A 85 -7.696 -10.526 3.403 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.499 -11.912 3.640 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.775 -10.345 2.336 1.00 1.00 C ATOM 0 H THR A 85 -5.553 -11.704 3.708 1.00 1.00 H new ATOM 0 HA THR A 85 -6.440 -9.680 1.867 1.00 1.00 H new ATOM 0 HB THR A 85 -8.017 -10.033 4.320 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.643 -12.410 2.808 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.707 -10.792 2.682 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.929 -9.282 2.151 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.459 -10.832 1.413 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.593 -7.494 3.221 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.332 -6.200 3.916 1.00 1.00 C ATOM 1389 C ILE A 86 -7.606 -5.352 3.929 1.00 1.00 C ATOM 1390 O ILE A 86 -8.303 -5.236 2.936 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.201 -5.455 3.183 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.782 -4.351 2.289 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.422 -6.447 2.313 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -4.677 -3.753 1.430 1.00 1.00 C ATOM 0 H ILE A 86 -7.166 -7.426 2.380 1.00 1.00 H new ATOM 0 HA ILE A 86 -6.031 -6.388 4.946 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.539 -5.004 3.922 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.568 -4.760 1.654 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.239 -3.575 2.903 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.620 -5.923 1.792 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.996 -7.227 2.944 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.095 -6.897 1.583 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.092 -2.969 0.796 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -3.906 -3.329 2.073 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.240 -4.532 0.805 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.914 -4.756 5.047 1.00 1.00 N ATOM 1407 CA CYS A 87 -9.133 -3.910 5.136 1.00 1.00 C ATOM 1408 C CYS A 87 -8.791 -2.493 4.687 1.00 1.00 C ATOM 1409 O CYS A 87 -7.761 -1.948 5.027 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.640 -3.897 6.583 1.00 1.00 C ATOM 1411 SG CYS A 87 -10.886 -5.193 6.802 1.00 1.00 S ATOM 0 H CYS A 87 -7.369 -4.820 5.907 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.914 -4.313 4.491 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -8.810 -4.057 7.271 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -10.068 -2.923 6.820 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.648 -1.901 3.910 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.384 -0.518 3.421 1.00 1.00 C ATOM 1418 C ILE A 88 -10.724 0.199 3.233 1.00 1.00 C ATOM 1419 O ILE A 88 -11.746 -0.428 3.038 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.602 -0.589 2.091 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -9.183 0.394 1.065 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.682 -2.005 1.518 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.266 0.464 -0.158 1.00 1.00 C ATOM 0 H ILE A 88 -10.524 -2.314 3.590 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.784 0.038 4.142 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.564 -0.324 2.292 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -10.181 0.074 0.765 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.286 1.383 1.512 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.129 -2.050 0.580 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.250 -2.710 2.228 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.725 -2.266 1.337 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.681 1.163 -0.885 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.277 0.804 0.148 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -8.186 -0.525 -0.610 1.00 1.00 H new ATOM 1435 N THR A 89 -10.733 1.508 3.287 1.00 1.00 N ATOM 1436 CA THR A 89 -12.015 2.252 3.103 1.00 1.00 C ATOM 1437 C THR A 89 -12.005 2.927 1.728 1.00 1.00 C ATOM 1438 O THR A 89 -11.015 3.508 1.312 1.00 1.00 O ATOM 1439 CB THR A 89 -12.176 3.289 4.228 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.997 2.741 5.248 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.825 4.572 3.694 1.00 1.00 C ATOM 0 H THR A 89 -9.912 2.090 3.450 1.00 1.00 H new ATOM 0 HA THR A 89 -12.861 1.566 3.151 1.00 1.00 H new ATOM 0 HB THR A 89 -11.191 3.535 4.624 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.103 3.396 5.970 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.930 5.292 4.506 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.199 4.998 2.910 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.809 4.340 3.286 1.00 1.00 H new ATOM 1449 N CYS A 90 -13.104 2.837 1.020 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.189 3.449 -0.341 1.00 1.00 C ATOM 1451 C CYS A 90 -14.433 4.340 -0.427 1.00 1.00 C ATOM 1452 O CYS A 90 -15.458 4.046 0.153 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.294 2.329 -1.379 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.920 2.983 -3.023 1.00 1.00 S ATOM 0 H CYS A 90 -13.952 2.362 1.330 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.301 4.052 -0.531 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.602 1.525 -1.131 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.297 1.902 -1.367 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.350 5.427 -1.150 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.524 6.341 -1.273 1.00 1.00 C ATOM 1461 C VAL A 91 -16.426 5.870 -2.419 1.00 1.00 C ATOM 1462 O VAL A 91 -16.574 4.688 -2.656 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.032 7.761 -1.555 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.124 8.221 -0.412 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.246 7.775 -2.868 1.00 1.00 C ATOM 0 H VAL A 91 -13.518 5.721 -1.661 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.093 6.331 -0.343 1.00 1.00 H new ATOM 0 HB VAL A 91 -15.886 8.434 -1.635 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -13.772 9.233 -0.612 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -14.683 8.209 0.524 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -13.269 7.549 -0.333 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -13.894 8.787 -3.071 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -13.391 7.103 -2.788 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -14.892 7.445 -3.682 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.030 6.788 -3.130 1.00 1.00 N ATOM 1476 CA ASN A 92 -17.929 6.401 -4.257 1.00 1.00 C ATOM 1477 C ASN A 92 -17.281 5.299 -5.085 1.00 1.00 C ATOM 1478 O ASN A 92 -17.913 4.338 -5.476 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.188 7.619 -5.145 1.00 1.00 C ATOM 1480 CG ASN A 92 -18.997 8.658 -4.366 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -18.804 9.845 -4.533 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -19.901 8.258 -3.513 1.00 1.00 N ATOM 0 H ASN A 92 -16.938 7.792 -2.977 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.872 6.036 -3.851 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.242 8.051 -5.473 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -18.730 7.319 -6.042 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -20.445 8.943 -2.987 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -20.064 7.261 -3.372 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.026 5.439 -5.343 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.300 4.412 -6.143 1.00 1.00 C ATOM 1491 C GLN A 93 -13.826 4.807 -6.263 1.00 1.00 C ATOM 1492 O GLN A 93 -13.258 4.812 -7.336 1.00 1.00 O ATOM 1493 CB GLN A 93 -15.919 4.308 -7.540 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.140 5.711 -8.109 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.757 5.604 -9.505 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -16.994 6.604 -10.155 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -17.028 4.426 -9.996 1.00 1.00 N ATOM 0 H GLN A 93 -15.456 6.227 -5.035 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.379 3.446 -5.644 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.264 3.737 -8.198 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -16.866 3.771 -7.490 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -16.796 6.282 -7.452 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.193 6.248 -8.159 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -16.829 3.588 -9.450 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -17.439 4.343 -10.926 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.208 5.132 -5.162 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.769 5.526 -5.185 1.00 1.00 C ATOM 1508 C LEU A 94 -11.132 5.127 -3.844 1.00 1.00 C ATOM 1509 O LEU A 94 -11.539 5.607 -2.804 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.652 7.048 -5.365 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.902 7.442 -6.836 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -13.329 7.976 -6.998 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.908 8.534 -7.249 1.00 1.00 C ATOM 0 H LEU A 94 -13.641 5.142 -4.239 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.262 5.026 -6.010 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.372 7.552 -4.720 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.661 7.381 -5.057 1.00 1.00 H new ATOM 0 HG LEU A 94 -11.770 6.563 -7.467 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -13.498 8.252 -8.039 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -14.042 7.204 -6.707 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -13.464 8.852 -6.364 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -11.084 8.812 -8.288 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.042 9.408 -6.611 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -9.890 8.159 -7.142 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.151 4.255 -3.851 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.482 3.806 -2.595 1.00 1.00 C ATOM 1527 C PRO A 95 -8.592 4.906 -2.012 1.00 1.00 C ATOM 1528 O PRO A 95 -7.750 5.450 -2.697 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.645 2.600 -3.035 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.391 2.801 -4.493 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.568 3.611 -5.042 1.00 1.00 C ATOM 0 HA PRO A 95 -10.196 3.561 -1.809 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.710 2.547 -2.477 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.177 1.666 -2.854 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.451 3.330 -4.652 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.309 1.843 -5.006 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.237 4.350 -5.772 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.293 2.970 -5.543 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.779 5.255 -0.762 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.941 6.341 -0.176 1.00 1.00 C ATOM 1541 C ILE A 96 -7.563 6.038 1.280 1.00 1.00 C ATOM 1542 O ILE A 96 -6.740 6.728 1.849 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.716 7.664 -0.249 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.992 7.573 0.601 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.101 7.947 -1.704 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.668 7.802 2.083 1.00 1.00 C ATOM 0 H ILE A 96 -9.466 4.840 -0.132 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.017 6.413 -0.749 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.086 8.468 0.132 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.715 8.315 0.262 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.454 6.594 0.471 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.652 8.886 -1.759 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.199 8.019 -2.312 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.727 7.137 -2.079 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.584 7.734 2.670 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.962 7.044 2.422 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.228 8.791 2.211 1.00 1.00 H new ATOM 1558 N HIS A 97 -8.133 5.030 1.907 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.751 4.752 3.329 1.00 1.00 C ATOM 1560 C HIS A 97 -7.207 3.327 3.466 1.00 1.00 C ATOM 1561 O HIS A 97 -7.701 2.398 2.860 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.978 4.922 4.234 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.896 6.234 4.970 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.729 6.661 5.589 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -9.824 7.220 5.195 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -7.983 7.857 6.152 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -9.243 8.240 5.941 1.00 1.00 N ATOM 0 H HIS A 97 -8.830 4.403 1.505 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.974 5.456 3.628 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.889 4.887 3.636 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -9.032 4.099 4.946 1.00 1.00 H new ATOM 0 HD1 HIS A 97 -6.841 6.160 5.613 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -10.846 7.206 4.847 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -7.257 8.434 6.705 1.00 1.00 H new ATOM 1576 N PHE A 98 -6.198 3.157 4.279 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.607 1.805 4.495 1.00 1.00 C ATOM 1578 C PHE A 98 -5.924 1.358 5.923 1.00 1.00 C ATOM 1579 O PHE A 98 -5.285 1.772 6.869 1.00 1.00 O ATOM 1580 CB PHE A 98 -4.088 1.875 4.305 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.452 0.593 4.795 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.812 -0.631 4.218 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.503 0.628 5.825 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.225 -1.818 4.671 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.916 -0.560 6.277 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.277 -1.783 5.700 1.00 1.00 C ATOM 0 H PHE A 98 -5.753 3.907 4.809 1.00 1.00 H new ATOM 0 HA PHE A 98 -6.024 1.095 3.780 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.850 2.031 3.253 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.682 2.726 4.853 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.543 -0.659 3.423 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.224 1.572 6.270 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.504 -2.762 4.226 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.184 -0.533 7.071 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.824 -2.699 6.049 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.911 0.523 6.089 1.00 1.00 N ATOM 1597 CA ALA A 99 -7.272 0.061 7.459 1.00 1.00 C ATOM 1598 C ALA A 99 -6.058 -0.608 8.111 1.00 1.00 C ATOM 1599 O ALA A 99 -5.477 -0.086 9.042 1.00 1.00 O ATOM 1600 CB ALA A 99 -8.429 -0.939 7.368 1.00 1.00 C ATOM 0 H ALA A 99 -7.483 0.140 5.336 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.578 0.914 8.064 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.696 -1.279 8.369 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -9.291 -0.457 6.907 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -8.125 -1.793 6.764 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.671 -1.758 7.632 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.496 -2.454 8.229 1.00 1.00 C ATOM 1608 C GLY A 100 -4.190 -3.723 7.432 1.00 1.00 C ATOM 1609 O GLY A 100 -4.688 -3.919 6.342 1.00 1.00 O ATOM 0 H GLY A 100 -6.116 -2.245 6.854 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.629 -1.793 8.226 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.701 -2.707 9.269 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.372 -4.588 7.969 1.00 1.00 N ATOM 1614 CA VAL A 101 -3.030 -5.847 7.245 1.00 1.00 C ATOM 1615 C VAL A 101 -3.956 -6.972 7.711 1.00 1.00 C ATOM 1616 O VAL A 101 -4.529 -6.915 8.781 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.579 -6.227 7.542 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.184 -7.440 6.698 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.664 -5.049 7.202 1.00 1.00 C ATOM 0 H VAL A 101 -2.925 -4.477 8.879 1.00 1.00 H new ATOM 0 HA VAL A 101 -3.155 -5.694 6.173 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.478 -6.473 8.599 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.150 -7.710 6.911 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.835 -8.280 6.941 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.285 -7.196 5.641 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.371 -5.319 7.413 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -0.766 -4.802 6.145 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.944 -4.185 7.805 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.106 -7.996 6.916 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.993 -9.126 7.312 1.00 1.00 C ATOM 1631 C GLY A 102 -6.453 -8.670 7.269 1.00 1.00 C ATOM 1632 O GLY A 102 -6.759 -7.576 6.837 1.00 1.00 O ATOM 0 H GLY A 102 -3.652 -8.099 6.008 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.845 -9.971 6.639 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.737 -9.468 8.315 1.00 1.00 H new ATOM 1636 N SER A 103 -7.357 -9.501 7.710 1.00 1.00 N ATOM 1637 CA SER A 103 -8.795 -9.116 7.692 1.00 1.00 C ATOM 1638 C SER A 103 -9.070 -8.100 8.801 1.00 1.00 C ATOM 1639 O SER A 103 -8.302 -7.959 9.732 1.00 1.00 O ATOM 1640 CB SER A 103 -9.660 -10.358 7.913 1.00 1.00 C ATOM 1641 OG SER A 103 -9.279 -10.982 9.132 1.00 1.00 O ATOM 0 H SER A 103 -7.161 -10.430 8.082 1.00 1.00 H new ATOM 0 HA SER A 103 -9.036 -8.671 6.727 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.714 -10.081 7.946 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.539 -11.053 7.082 1.00 1.00 H new ATOM 0 HG SER A 103 -9.832 -11.778 9.279 1.00 1.00 H new ATOM 1647 N CYS A 104 -10.162 -7.390 8.709 1.00 1.00 N ATOM 1648 CA CYS A 104 -10.489 -6.382 9.757 1.00 1.00 C ATOM 1649 C CYS A 104 -10.330 -7.021 11.142 1.00 1.00 C ATOM 1650 O CYS A 104 -10.452 -8.220 11.292 1.00 1.00 O ATOM 1651 CB CYS A 104 -11.934 -5.911 9.568 1.00 1.00 C ATOM 1652 SG CYS A 104 -11.973 -4.544 8.380 1.00 1.00 S ATOM 0 H CYS A 104 -10.842 -7.465 7.952 1.00 1.00 H new ATOM 0 HA CYS A 104 -9.815 -5.529 9.674 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -12.553 -6.735 9.211 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -12.351 -5.589 10.522 1.00 1.00 H new ATOM 1657 N PRO A 105 -10.063 -6.227 12.148 1.00 1.00 N ATOM 1658 CA PRO A 105 -9.889 -6.726 13.539 1.00 1.00 C ATOM 1659 C PRO A 105 -10.865 -7.857 13.877 1.00 1.00 C ATOM 1660 O PRO A 105 -11.991 -7.801 13.411 1.00 1.00 O ATOM 1661 CB PRO A 105 -10.177 -5.488 14.389 1.00 1.00 C ATOM 1662 CG PRO A 105 -9.759 -4.327 13.543 1.00 1.00 C ATOM 1663 CD PRO A 105 -9.896 -4.765 12.076 1.00 1.00 C ATOM 1664 OXT PRO A 105 -10.469 -8.759 14.598 1.00 1.00 O ATOM 0 HA PRO A 105 -8.900 -7.153 13.705 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -11.234 -5.426 14.649 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -9.619 -5.514 15.325 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -10.385 -3.458 13.746 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -8.731 -4.039 13.765 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -10.752 -4.290 11.597 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -9.014 -4.493 11.495 1.00 1.00 H new TER 1672 PRO A 105