USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN : amide:sc= 0 K(o=0.13,f=-1.7) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.131 USER MOD Set 2.1: A 40 CYS SG : rot -77:sc= 1.22 USER MOD Set 2.2: A 43 TYR OH : rot -12:sc= 1.32 USER MOD Set 2.3: A 65 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0637 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -31:sc= -0.534! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -4.19 K(o=-4.2,f=-10!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0.00229 (180deg=0.00171) USER MOD Single : A 21 ASN : amide:sc= 0.0274 X(o=0.027,f=0) USER MOD Single : A 25 THR OG1 : rot -23:sc= 0.553 USER MOD Single : A 34 LYS NZ :NH3+ -145:sc= -0.0636 (180deg=-0.363) USER MOD Single : A 37 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.089) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -138:sc= 0.703 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -120:sc= -0.3 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 75 ASN : amide:sc= -2.93 K(o=-2.9,f=-5.1!) USER MOD Single : A 76 MET CE :methyl -144:sc= -0.498 (180deg=-1.98) USER MOD Single : A 84 SER OG : rot 180:sc= -0.295 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.412 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.413 F(o=-2.6,f=-0.41) USER MOD Single : A 100 SER OG : rot 88:sc= 1.27 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -144:sc= -4.25! (180deg=-6.12!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -160:sc= 0.0184 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.749 10.225 -4.359 1.00 0.00 N ATOM 2 CA ALA A 1 16.095 10.058 -5.650 1.00 0.00 C ATOM 3 C ALA A 1 15.845 8.584 -5.953 1.00 0.00 C ATOM 4 O ALA A 1 16.479 7.693 -5.388 1.00 0.00 O ATOM 5 CB ALA A 1 16.932 10.691 -6.752 1.00 0.00 C ATOM 0 H1 ALA A 1 16.093 10.684 -3.694 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.025 9.294 -3.986 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.596 10.817 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 1 15.129 10.562 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.431 10.559 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.054 11.755 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.911 10.213 -6.785 1.00 0.00 H new ATOM 11 N PRO A 2 14.899 8.319 -6.866 1.00 0.00 N ATOM 12 CA PRO A 2 14.545 6.953 -7.265 1.00 0.00 C ATOM 13 C PRO A 2 15.650 6.279 -8.070 1.00 0.00 C ATOM 14 O PRO A 2 15.556 5.096 -8.401 1.00 0.00 O ATOM 15 CB PRO A 2 13.296 7.149 -8.129 1.00 0.00 C ATOM 16 CG PRO A 2 13.414 8.537 -8.656 1.00 0.00 C ATOM 17 CD PRO A 2 14.104 9.331 -7.581 1.00 0.00 C ATOM 0 HA PRO A 2 14.387 6.305 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.256 6.420 -8.939 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.386 7.024 -7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.987 8.555 -9.583 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.432 8.954 -8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.735 10.114 -8.002 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.388 9.820 -6.920 1.00 0.00 H new ATOM 25 N ILE A 3 16.695 7.037 -8.382 1.00 0.00 N ATOM 26 CA ILE A 3 17.819 6.511 -9.147 1.00 0.00 C ATOM 27 C ILE A 3 18.840 5.841 -8.234 1.00 0.00 C ATOM 28 O ILE A 3 18.931 6.158 -7.048 1.00 0.00 O ATOM 29 CB ILE A 3 18.518 7.620 -9.955 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.481 8.528 -10.619 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.443 7.012 -10.998 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.091 9.623 -11.467 1.00 0.00 C ATOM 0 H ILE A 3 16.787 8.018 -8.117 1.00 0.00 H new ATOM 0 HA ILE A 3 17.413 5.772 -9.837 1.00 0.00 H new ATOM 0 HB ILE A 3 19.118 8.223 -9.273 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.824 7.921 -11.242 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.859 8.981 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.930 7.808 -11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 3 20.199 6.403 -10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.864 6.388 -11.679 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.298 10.228 -11.906 1.00 0.00 H new ATOM 0 HD12 ILE A 3 18.726 10.254 -10.845 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.690 9.177 -12.261 1.00 0.00 H new ATOM 44 N LYS A 4 19.610 4.915 -8.795 1.00 0.00 N ATOM 45 CA LYS A 4 20.629 4.202 -8.034 1.00 0.00 C ATOM 46 C LYS A 4 21.619 5.176 -7.404 1.00 0.00 C ATOM 47 O LYS A 4 21.856 6.263 -7.931 1.00 0.00 O ATOM 48 CB LYS A 4 21.372 3.215 -8.938 1.00 0.00 C ATOM 49 CG LYS A 4 22.443 2.417 -8.214 1.00 0.00 C ATOM 50 CD LYS A 4 21.839 1.479 -7.183 1.00 0.00 C ATOM 51 CE LYS A 4 22.662 1.451 -5.905 1.00 0.00 C ATOM 52 NZ LYS A 4 21.807 1.277 -4.698 1.00 0.00 N ATOM 0 H LYS A 4 19.548 4.640 -9.775 1.00 0.00 H new ATOM 0 HA LYS A 4 20.132 3.651 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.652 2.525 -9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.832 3.763 -9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 4 23.020 1.841 -8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.137 3.099 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.821 1.795 -6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.775 0.473 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.386 0.638 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.229 2.378 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.406 1.263 -3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.133 2.066 -4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.285 0.380 -4.769 1.00 0.00 H new ATOM 66 N GLY A 5 22.196 4.779 -6.274 1.00 0.00 N ATOM 67 CA GLY A 5 23.155 5.629 -5.592 1.00 0.00 C ATOM 68 C GLY A 5 24.218 6.170 -6.528 1.00 0.00 C ATOM 69 O GLY A 5 24.536 7.359 -6.496 1.00 0.00 O ATOM 0 H GLY A 5 22.017 3.884 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.630 6.461 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.633 5.063 -4.792 1.00 0.00 H new ATOM 73 N VAL A 6 24.770 5.296 -7.363 1.00 0.00 N ATOM 74 CA VAL A 6 25.804 5.693 -8.312 1.00 0.00 C ATOM 75 C VAL A 6 25.264 5.711 -9.737 1.00 0.00 C ATOM 76 O VAL A 6 25.807 5.057 -10.628 1.00 0.00 O ATOM 77 CB VAL A 6 27.018 4.747 -8.246 1.00 0.00 C ATOM 78 CG1 VAL A 6 28.190 5.329 -9.023 1.00 0.00 C ATOM 79 CG2 VAL A 6 27.406 4.479 -6.800 1.00 0.00 C ATOM 0 H VAL A 6 24.519 4.308 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 6 26.120 6.698 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 6 26.744 3.798 -8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 6 29.039 4.648 -8.966 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.904 5.465 -10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.468 6.292 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 6 28.265 3.809 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 6 27.663 5.419 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 6 26.568 4.017 -6.278 1.00 0.00 H new ATOM 89 N THR A 7 24.190 6.465 -9.948 1.00 0.00 N ATOM 90 CA THR A 7 23.575 6.569 -11.265 1.00 0.00 C ATOM 91 C THR A 7 22.670 7.793 -11.355 1.00 0.00 C ATOM 92 O THR A 7 22.023 8.172 -10.379 1.00 0.00 O ATOM 93 CB THR A 7 22.752 5.311 -11.602 1.00 0.00 C ATOM 94 OG1 THR A 7 23.494 4.135 -11.259 1.00 0.00 O ATOM 95 CG2 THR A 7 22.395 5.278 -13.080 1.00 0.00 C ATOM 0 H THR A 7 23.728 7.013 -9.223 1.00 0.00 H new ATOM 0 HA THR A 7 24.387 6.667 -11.985 1.00 0.00 H new ATOM 0 HB THR A 7 21.829 5.341 -11.022 1.00 0.00 H new ATOM 0 HG1 THR A 7 24.453 4.312 -11.359 1.00 0.00 H new ATOM 0 HG21 THR A 7 21.814 4.381 -13.294 1.00 0.00 H new ATOM 0 HG22 THR A 7 21.806 6.160 -13.332 1.00 0.00 H new ATOM 0 HG23 THR A 7 23.308 5.269 -13.675 1.00 0.00 H new ATOM 103 N PHE A 8 22.628 8.407 -12.533 1.00 0.00 N ATOM 104 CA PHE A 8 21.802 9.589 -12.750 1.00 0.00 C ATOM 105 C PHE A 8 21.788 9.979 -14.225 1.00 0.00 C ATOM 106 O PHE A 8 22.838 10.155 -14.842 1.00 0.00 O ATOM 107 CB PHE A 8 22.315 10.758 -11.906 1.00 0.00 C ATOM 108 CG PHE A 8 23.694 11.213 -12.289 1.00 0.00 C ATOM 109 CD1 PHE A 8 24.812 10.504 -11.878 1.00 0.00 C ATOM 110 CD2 PHE A 8 23.873 12.351 -13.060 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.082 10.920 -12.229 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.141 12.772 -13.414 1.00 0.00 C ATOM 113 CZ PHE A 8 26.247 12.056 -12.997 1.00 0.00 C ATOM 0 H PHE A 8 23.156 8.106 -13.352 1.00 0.00 H new ATOM 0 HA PHE A 8 20.783 9.350 -12.446 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.625 11.596 -12.002 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.316 10.465 -10.856 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.689 9.616 -11.276 1.00 0.00 H new ATOM 0 HD2 PHE A 8 23.012 12.915 -13.388 1.00 0.00 H new ATOM 0 HE1 PHE A 8 26.945 10.358 -11.903 1.00 0.00 H new ATOM 0 HE2 PHE A 8 25.267 13.660 -14.016 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.239 12.384 -13.271 1.00 0.00 H new ATOM 123 N GLY A 9 20.589 10.112 -14.785 1.00 0.00 N ATOM 124 CA GLY A 9 20.460 10.480 -16.183 1.00 0.00 C ATOM 125 C GLY A 9 21.325 9.627 -17.089 1.00 0.00 C ATOM 126 O GLY A 9 22.015 10.145 -17.966 1.00 0.00 O ATOM 0 H GLY A 9 19.705 9.971 -14.295 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.417 10.384 -16.486 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.733 11.528 -16.306 1.00 0.00 H new ATOM 130 N GLU A 10 21.289 8.315 -16.876 1.00 0.00 N ATOM 131 CA GLU A 10 22.079 7.389 -17.680 1.00 0.00 C ATOM 132 C GLU A 10 21.318 6.974 -18.936 1.00 0.00 C ATOM 133 O GLU A 10 21.912 6.771 -19.995 1.00 0.00 O ATOM 134 CB GLU A 10 22.444 6.151 -16.859 1.00 0.00 C ATOM 135 CG GLU A 10 23.695 6.327 -16.015 1.00 0.00 C ATOM 136 CD GLU A 10 24.966 6.294 -16.841 1.00 0.00 C ATOM 137 OE1 GLU A 10 25.266 7.304 -17.511 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.661 5.256 -16.817 1.00 0.00 O ATOM 0 H GLU A 10 20.722 7.870 -16.154 1.00 0.00 H new ATOM 0 HA GLU A 10 22.994 7.899 -17.982 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.608 5.899 -16.206 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.587 5.307 -17.534 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.638 7.276 -15.481 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.735 5.539 -15.263 1.00 0.00 H new ATOM 145 N ASP A 11 20.001 6.851 -18.809 1.00 0.00 N ATOM 146 CA ASP A 11 19.158 6.461 -19.933 1.00 0.00 C ATOM 147 C ASP A 11 17.785 7.117 -19.835 1.00 0.00 C ATOM 148 O ASP A 11 17.442 7.988 -20.636 1.00 0.00 O ATOM 149 CB ASP A 11 19.008 4.939 -19.982 1.00 0.00 C ATOM 150 CG ASP A 11 18.611 4.441 -21.357 1.00 0.00 C ATOM 151 OD1 ASP A 11 17.560 4.881 -21.868 1.00 0.00 O ATOM 152 OD2 ASP A 11 19.352 3.610 -21.924 1.00 0.00 O ATOM 0 H ASP A 11 19.495 7.016 -17.939 1.00 0.00 H new ATOM 0 HA ASP A 11 19.638 6.800 -20.851 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.949 4.474 -19.688 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.258 4.627 -19.255 1.00 0.00 H new ATOM 157 N THR A 12 17.000 6.692 -18.849 1.00 0.00 N ATOM 158 CA THR A 12 15.663 7.236 -18.648 1.00 0.00 C ATOM 159 C THR A 12 15.006 6.637 -17.410 1.00 0.00 C ATOM 160 O THR A 12 15.170 5.451 -17.121 1.00 0.00 O ATOM 161 CB THR A 12 14.762 6.978 -19.870 1.00 0.00 C ATOM 162 OG1 THR A 12 13.418 7.382 -19.582 1.00 0.00 O ATOM 163 CG2 THR A 12 14.783 5.507 -20.257 1.00 0.00 C ATOM 0 H THR A 12 17.268 5.973 -18.177 1.00 0.00 H new ATOM 0 HA THR A 12 15.777 8.311 -18.511 1.00 0.00 H new ATOM 0 HB THR A 12 15.145 7.563 -20.706 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.852 7.216 -20.364 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.139 5.349 -21.122 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.802 5.210 -20.504 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.422 4.906 -19.422 1.00 0.00 H new ATOM 171 N VAL A 13 14.261 7.463 -16.683 1.00 0.00 N ATOM 172 CA VAL A 13 13.577 7.013 -15.476 1.00 0.00 C ATOM 173 C VAL A 13 12.548 5.936 -15.797 1.00 0.00 C ATOM 174 O VAL A 13 12.083 5.826 -16.932 1.00 0.00 O ATOM 175 CB VAL A 13 12.875 8.182 -14.760 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.529 7.802 -13.329 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.747 9.428 -14.794 1.00 0.00 C ATOM 0 H VAL A 13 14.115 8.447 -16.908 1.00 0.00 H new ATOM 0 HA VAL A 13 14.339 6.598 -14.816 1.00 0.00 H new ATOM 0 HB VAL A 13 11.946 8.402 -15.286 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.034 8.641 -12.839 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.863 6.939 -13.333 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.442 7.554 -12.788 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.236 10.244 -14.284 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.693 9.224 -14.293 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.938 9.710 -15.829 1.00 0.00 H new ATOM 187 N TRP A 14 12.196 5.143 -14.791 1.00 0.00 N ATOM 188 CA TRP A 14 11.219 4.074 -14.966 1.00 0.00 C ATOM 189 C TRP A 14 11.731 3.025 -15.947 1.00 0.00 C ATOM 190 O TRP A 14 10.975 2.167 -16.402 1.00 0.00 O ATOM 191 CB TRP A 14 9.889 4.645 -15.459 1.00 0.00 C ATOM 192 CG TRP A 14 8.961 5.032 -14.348 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.034 6.153 -13.572 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.821 4.298 -13.889 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.008 6.160 -12.658 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.249 5.033 -12.832 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.226 3.092 -14.269 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.114 4.599 -12.153 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.100 2.662 -13.593 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.553 3.415 -12.546 1.00 0.00 C ATOM 0 H TRP A 14 12.572 5.220 -13.846 1.00 0.00 H new ATOM 0 HA TRP A 14 11.064 3.596 -13.999 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.085 5.519 -16.080 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.398 3.907 -16.093 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.787 6.921 -13.663 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.839 6.887 -11.963 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.639 2.506 -15.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.691 5.177 -11.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.634 1.730 -13.877 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.671 3.053 -12.039 1.00 0.00 H new ATOM 211 N GLU A 15 13.019 3.101 -16.270 1.00 0.00 N ATOM 212 CA GLU A 15 13.630 2.157 -17.198 1.00 0.00 C ATOM 213 C GLU A 15 15.119 1.994 -16.907 1.00 0.00 C ATOM 214 O GLU A 15 15.858 1.410 -17.700 1.00 0.00 O ATOM 215 CB GLU A 15 13.429 2.624 -18.641 1.00 0.00 C ATOM 216 CG GLU A 15 12.187 2.048 -19.300 1.00 0.00 C ATOM 217 CD GLU A 15 12.061 2.447 -20.758 1.00 0.00 C ATOM 218 OE1 GLU A 15 12.710 1.801 -21.607 1.00 0.00 O ATOM 219 OE2 GLU A 15 11.315 3.406 -21.049 1.00 0.00 O ATOM 0 H GLU A 15 13.658 3.806 -15.903 1.00 0.00 H new ATOM 0 HA GLU A 15 13.144 1.190 -17.065 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.367 3.712 -18.656 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.304 2.346 -19.229 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.212 0.961 -19.226 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.303 2.384 -18.758 1.00 0.00 H new ATOM 226 N VAL A 16 15.553 2.516 -15.765 1.00 0.00 N ATOM 227 CA VAL A 16 16.953 2.429 -15.368 1.00 0.00 C ATOM 228 C VAL A 16 17.107 2.582 -13.859 1.00 0.00 C ATOM 229 O VAL A 16 17.973 1.957 -13.247 1.00 0.00 O ATOM 230 CB VAL A 16 17.804 3.503 -16.071 1.00 0.00 C ATOM 231 CG1 VAL A 16 17.486 4.884 -15.517 1.00 0.00 C ATOM 232 CG2 VAL A 16 19.285 3.189 -15.925 1.00 0.00 C ATOM 0 H VAL A 16 14.955 3.004 -15.098 1.00 0.00 H new ATOM 0 HA VAL A 16 17.306 1.442 -15.668 1.00 0.00 H new ATOM 0 HB VAL A 16 17.558 3.499 -17.133 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.097 5.630 -16.026 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.431 5.107 -15.679 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.702 4.906 -14.449 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.871 3.958 -16.428 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.549 3.164 -14.868 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.497 2.219 -16.375 1.00 0.00 H new ATOM 242 N GLN A 17 16.261 3.417 -13.265 1.00 0.00 N ATOM 243 CA GLN A 17 16.304 3.653 -11.826 1.00 0.00 C ATOM 244 C GLN A 17 16.063 2.359 -11.056 1.00 0.00 C ATOM 245 O GLN A 17 16.463 2.229 -9.900 1.00 0.00 O ATOM 246 CB GLN A 17 15.261 4.699 -11.428 1.00 0.00 C ATOM 247 CG GLN A 17 13.979 4.100 -10.873 1.00 0.00 C ATOM 248 CD GLN A 17 12.898 3.956 -11.926 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.055 3.214 -12.896 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.792 4.668 -11.740 1.00 0.00 N ATOM 0 H GLN A 17 15.538 3.941 -13.757 1.00 0.00 H new ATOM 0 HA GLN A 17 17.297 4.026 -11.573 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.694 5.365 -10.682 1.00 0.00 H new ATOM 0 HB3 GLN A 17 15.020 5.309 -12.299 1.00 0.00 H new ATOM 0 HG2 GLN A 17 14.196 3.122 -10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.610 4.729 -10.063 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.705 5.270 -10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.030 4.612 -12.416 1.00 0.00 H new ATOM 259 N GLY A 18 15.405 1.403 -11.705 1.00 0.00 N ATOM 260 CA GLY A 18 15.121 0.132 -11.065 1.00 0.00 C ATOM 261 C GLY A 18 14.065 0.250 -9.984 1.00 0.00 C ATOM 262 O GLY A 18 14.173 -0.379 -8.930 1.00 0.00 O ATOM 0 H GLY A 18 15.064 1.486 -12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.788 -0.584 -11.817 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.038 -0.265 -10.631 1.00 0.00 H new ATOM 266 N TYR A 19 13.043 1.058 -10.243 1.00 0.00 N ATOM 267 CA TYR A 19 11.966 1.259 -9.282 1.00 0.00 C ATOM 268 C TYR A 19 10.702 1.758 -9.976 1.00 0.00 C ATOM 269 O TYR A 19 10.744 2.202 -11.124 1.00 0.00 O ATOM 270 CB TYR A 19 12.395 2.256 -8.204 1.00 0.00 C ATOM 271 CG TYR A 19 13.250 1.642 -7.117 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.694 0.799 -6.163 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.612 1.906 -7.045 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.471 0.236 -5.168 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.396 1.347 -6.055 1.00 0.00 C ATOM 276 CZ TYR A 19 14.821 0.513 -5.119 1.00 0.00 C ATOM 277 OH TYR A 19 15.599 -0.045 -4.130 1.00 0.00 O ATOM 0 H TYR A 19 12.938 1.584 -11.110 1.00 0.00 H new ATOM 0 HA TYR A 19 11.748 0.299 -8.814 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.948 3.070 -8.673 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.505 2.694 -7.751 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.637 0.580 -6.199 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.065 2.559 -7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.023 -0.417 -4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.454 1.562 -6.014 1.00 0.00 H new ATOM 0 HH TYR A 19 16.527 0.250 -4.238 1.00 0.00 H new ATOM 287 N LYS A 20 9.578 1.681 -9.272 1.00 0.00 N ATOM 288 CA LYS A 20 8.301 2.126 -9.817 1.00 0.00 C ATOM 289 C LYS A 20 7.460 2.811 -8.745 1.00 0.00 C ATOM 290 O LYS A 20 7.881 2.928 -7.594 1.00 0.00 O ATOM 291 CB LYS A 20 7.532 0.939 -10.403 1.00 0.00 C ATOM 292 CG LYS A 20 7.870 0.653 -11.855 1.00 0.00 C ATOM 293 CD LYS A 20 9.007 -0.347 -11.977 1.00 0.00 C ATOM 294 CE LYS A 20 9.088 -0.932 -13.379 1.00 0.00 C ATOM 295 NZ LYS A 20 9.494 0.090 -14.383 1.00 0.00 N ATOM 0 H LYS A 20 9.525 1.314 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 20 8.504 2.847 -10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.743 0.051 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.463 1.132 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.988 0.266 -12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.146 1.582 -12.355 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.950 0.141 -11.730 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.865 -1.150 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.803 -1.755 -13.389 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.119 -1.348 -13.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.505 -0.339 -15.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.817 0.879 -14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.444 0.445 -14.153 1.00 0.00 H new ATOM 309 N ASN A 21 6.270 3.259 -9.129 1.00 0.00 N ATOM 310 CA ASN A 21 5.369 3.931 -8.199 1.00 0.00 C ATOM 311 C ASN A 21 3.962 3.349 -8.288 1.00 0.00 C ATOM 312 O ASN A 21 3.371 3.288 -9.366 1.00 0.00 O ATOM 313 CB ASN A 21 5.331 5.433 -8.489 1.00 0.00 C ATOM 314 CG ASN A 21 6.688 6.089 -8.319 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.184 6.234 -7.201 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.295 6.490 -9.430 1.00 0.00 N ATOM 0 H ASN A 21 5.906 3.169 -10.078 1.00 0.00 H new ATOM 0 HA ASN A 21 5.745 3.772 -7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.977 5.595 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.613 5.911 -7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.210 6.939 -9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.847 6.349 -10.335 1.00 0.00 H new ATOM 323 N VAL A 22 3.430 2.923 -7.146 1.00 0.00 N ATOM 324 CA VAL A 22 2.092 2.348 -7.094 1.00 0.00 C ATOM 325 C VAL A 22 1.226 3.063 -6.063 1.00 0.00 C ATOM 326 O VAL A 22 1.713 3.485 -5.014 1.00 0.00 O ATOM 327 CB VAL A 22 2.139 0.846 -6.755 1.00 0.00 C ATOM 328 CG1 VAL A 22 0.733 0.273 -6.668 1.00 0.00 C ATOM 329 CG2 VAL A 22 2.968 0.094 -7.786 1.00 0.00 C ATOM 0 H VAL A 22 3.906 2.966 -6.245 1.00 0.00 H new ATOM 0 HA VAL A 22 1.654 2.476 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 22 2.614 0.725 -5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.787 -0.789 -6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.176 0.793 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.227 0.403 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.991 -0.966 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.523 0.221 -8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.984 0.488 -7.793 1.00 0.00 H new ATOM 339 N ARG A 23 -0.061 3.194 -6.368 1.00 0.00 N ATOM 340 CA ARG A 23 -0.995 3.859 -5.468 1.00 0.00 C ATOM 341 C ARG A 23 -2.136 2.923 -5.080 1.00 0.00 C ATOM 342 O ARG A 23 -2.458 1.985 -5.811 1.00 0.00 O ATOM 343 CB ARG A 23 -1.559 5.121 -6.125 1.00 0.00 C ATOM 344 CG ARG A 23 -0.976 6.410 -5.567 1.00 0.00 C ATOM 345 CD ARG A 23 -1.993 7.159 -4.720 1.00 0.00 C ATOM 346 NE ARG A 23 -2.459 8.378 -5.376 1.00 0.00 N ATOM 347 CZ ARG A 23 -1.784 9.522 -5.365 1.00 0.00 C ATOM 348 NH1 ARG A 23 -0.619 9.603 -4.737 1.00 0.00 N ATOM 349 NH2 ARG A 23 -2.273 10.589 -5.985 1.00 0.00 N ATOM 0 H ARG A 23 -0.480 2.848 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.453 4.138 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.367 5.079 -7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.641 5.135 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.096 6.182 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.645 7.046 -6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.844 6.509 -4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.547 7.412 -3.758 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.351 8.349 -5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.239 8.785 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.103 10.483 -4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.168 10.531 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.754 11.467 -5.976 1.00 0.00 H new ATOM 363 N ILE A 24 -2.741 3.183 -3.926 1.00 0.00 N ATOM 364 CA ILE A 24 -3.846 2.364 -3.442 1.00 0.00 C ATOM 365 C ILE A 24 -5.134 3.176 -3.352 1.00 0.00 C ATOM 366 O ILE A 24 -5.131 4.318 -2.892 1.00 0.00 O ATOM 367 CB ILE A 24 -3.534 1.760 -2.060 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.115 1.190 -2.036 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.550 0.683 -1.711 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.879 0.115 -3.073 1.00 0.00 C ATOM 0 H ILE A 24 -2.485 3.954 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.980 1.556 -4.161 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.600 2.550 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.404 2.000 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.914 0.780 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.316 0.266 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.549 1.118 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.514 -0.108 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.852 -0.243 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.566 -0.714 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.048 0.526 -4.068 1.00 0.00 H new ATOM 382 N THR A 25 -6.236 2.577 -3.793 1.00 0.00 N ATOM 383 CA THR A 25 -7.532 3.243 -3.761 1.00 0.00 C ATOM 384 C THR A 25 -8.671 2.232 -3.831 1.00 0.00 C ATOM 385 O THR A 25 -9.403 2.174 -4.820 1.00 0.00 O ATOM 386 CB THR A 25 -7.677 4.244 -4.923 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.563 5.144 -4.936 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.972 5.033 -4.798 1.00 0.00 C ATOM 0 H THR A 25 -6.257 1.632 -4.176 1.00 0.00 H new ATOM 0 HA THR A 25 -7.587 3.784 -2.816 1.00 0.00 H new ATOM 0 HB THR A 25 -7.701 3.683 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.163 5.182 -4.042 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.053 5.733 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.819 4.347 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.973 5.584 -3.858 1.00 0.00 H new ATOM 396 N PHE A 26 -8.817 1.438 -2.776 1.00 0.00 N ATOM 397 CA PHE A 26 -9.868 0.429 -2.718 1.00 0.00 C ATOM 398 C PHE A 26 -10.787 0.669 -1.524 1.00 0.00 C ATOM 399 O PHE A 26 -11.893 1.186 -1.674 1.00 0.00 O ATOM 400 CB PHE A 26 -9.256 -0.971 -2.632 1.00 0.00 C ATOM 401 CG PHE A 26 -10.276 -2.063 -2.481 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.968 -2.540 -3.582 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.544 -2.611 -1.237 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.907 -3.545 -3.446 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.482 -3.617 -1.095 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.165 -4.083 -2.201 1.00 0.00 C ATOM 0 H PHE A 26 -8.221 1.474 -1.949 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.460 0.504 -3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.667 -1.157 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.569 -1.007 -1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.772 -2.122 -4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.014 -2.248 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.438 -3.909 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.680 -4.038 -0.120 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.900 -4.867 -2.092 1.00 0.00 H new ATOM 416 N GLU A 27 -10.320 0.288 -0.339 1.00 0.00 N ATOM 417 CA GLU A 27 -11.100 0.460 0.880 1.00 0.00 C ATOM 418 C GLU A 27 -10.364 -0.120 2.084 1.00 0.00 C ATOM 419 O GLU A 27 -9.588 -1.068 1.954 1.00 0.00 O ATOM 420 CB GLU A 27 -12.469 -0.208 0.735 1.00 0.00 C ATOM 421 CG GLU A 27 -13.636 0.738 0.967 1.00 0.00 C ATOM 422 CD GLU A 27 -14.709 0.134 1.852 1.00 0.00 C ATOM 423 OE1 GLU A 27 -14.957 -1.084 1.737 1.00 0.00 O ATOM 424 OE2 GLU A 27 -15.300 0.881 2.659 1.00 0.00 O ATOM 0 H GLU A 27 -9.406 -0.142 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.241 1.529 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.551 -0.635 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.537 -1.035 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.269 1.657 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.074 1.012 0.007 1.00 0.00 H new ATOM 431 N LEU A 28 -10.611 0.456 3.256 1.00 0.00 N ATOM 432 CA LEU A 28 -9.972 -0.003 4.484 1.00 0.00 C ATOM 433 C LEU A 28 -10.762 0.445 5.709 1.00 0.00 C ATOM 434 O LEU A 28 -11.138 -0.371 6.551 1.00 0.00 O ATOM 435 CB LEU A 28 -8.539 0.526 4.565 1.00 0.00 C ATOM 436 CG LEU A 28 -7.448 -0.522 4.783 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.142 -1.252 3.485 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.189 0.127 5.342 1.00 0.00 C ATOM 0 H LEU A 28 -11.249 1.242 3.381 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.950 -1.093 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.319 1.064 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.486 1.251 5.377 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.810 -1.250 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.363 -1.994 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.043 -1.749 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.800 -0.537 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.423 -0.634 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.824 0.877 4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.418 0.603 6.295 1.00 0.00 H new ATOM 450 N ASP A 29 -11.013 1.747 5.801 1.00 0.00 N ATOM 451 CA ASP A 29 -11.762 2.304 6.922 1.00 0.00 C ATOM 452 C ASP A 29 -12.710 3.401 6.450 1.00 0.00 C ATOM 453 O ASP A 29 -12.724 3.758 5.272 1.00 0.00 O ATOM 454 CB ASP A 29 -10.804 2.859 7.977 1.00 0.00 C ATOM 455 CG ASP A 29 -11.290 2.607 9.391 1.00 0.00 C ATOM 456 OD1 ASP A 29 -12.516 2.683 9.619 1.00 0.00 O ATOM 457 OD2 ASP A 29 -10.446 2.332 10.268 1.00 0.00 O ATOM 0 H ASP A 29 -10.709 2.436 5.113 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.354 1.504 7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.822 2.404 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.681 3.931 7.824 1.00 0.00 H new ATOM 462 N GLU A 30 -13.502 3.931 7.377 1.00 0.00 N ATOM 463 CA GLU A 30 -14.455 4.987 7.054 1.00 0.00 C ATOM 464 C GLU A 30 -14.105 6.279 7.786 1.00 0.00 C ATOM 465 O GLU A 30 -14.090 7.357 7.193 1.00 0.00 O ATOM 466 CB GLU A 30 -15.876 4.550 7.417 1.00 0.00 C ATOM 467 CG GLU A 30 -16.503 3.613 6.400 1.00 0.00 C ATOM 468 CD GLU A 30 -17.718 4.216 5.722 1.00 0.00 C ATOM 469 OE1 GLU A 30 -18.541 4.840 6.423 1.00 0.00 O ATOM 470 OE2 GLU A 30 -17.845 4.065 4.488 1.00 0.00 O ATOM 0 H GLU A 30 -13.503 3.647 8.357 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.403 5.173 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.858 4.058 8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.504 5.435 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.761 3.354 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.791 2.686 6.895 1.00 0.00 H new ATOM 477 N ARG A 31 -13.824 6.161 9.080 1.00 0.00 N ATOM 478 CA ARG A 31 -13.476 7.319 9.895 1.00 0.00 C ATOM 479 C ARG A 31 -12.059 7.794 9.586 1.00 0.00 C ATOM 480 O ARG A 31 -11.737 8.970 9.759 1.00 0.00 O ATOM 481 CB ARG A 31 -13.599 6.979 11.381 1.00 0.00 C ATOM 482 CG ARG A 31 -14.396 8.000 12.176 1.00 0.00 C ATOM 483 CD ARG A 31 -15.872 7.636 12.228 1.00 0.00 C ATOM 484 NE ARG A 31 -16.513 8.120 13.448 1.00 0.00 N ATOM 485 CZ ARG A 31 -17.729 7.753 13.834 1.00 0.00 C ATOM 486 NH1 ARG A 31 -18.433 6.902 13.101 1.00 0.00 N ATOM 487 NH2 ARG A 31 -18.244 8.237 14.957 1.00 0.00 N ATOM 0 H ARG A 31 -13.831 5.275 9.586 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.171 8.123 9.655 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.072 6.002 11.483 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.600 6.896 11.810 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.000 8.063 13.189 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.279 8.986 11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.380 8.057 11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.981 6.553 12.167 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.998 8.776 14.036 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.041 6.527 12.237 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.367 6.622 13.401 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.706 8.892 15.524 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.178 7.955 15.253 1.00 0.00 H new ATOM 501 N VAL A 32 -11.217 6.873 9.130 1.00 0.00 N ATOM 502 CA VAL A 32 -9.836 7.197 8.797 1.00 0.00 C ATOM 503 C VAL A 32 -9.458 6.650 7.425 1.00 0.00 C ATOM 504 O VAL A 32 -8.349 6.154 7.227 1.00 0.00 O ATOM 505 CB VAL A 32 -8.858 6.638 9.847 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.133 7.251 11.212 1.00 0.00 C ATOM 507 CG2 VAL A 32 -8.952 5.121 9.907 1.00 0.00 C ATOM 0 H VAL A 32 -11.468 5.895 8.983 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.761 8.284 8.785 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.843 6.906 9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.432 6.844 11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.011 8.333 11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.152 7.016 11.518 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.254 4.742 10.654 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.967 4.830 10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.702 4.702 8.932 1.00 0.00 H new ATOM 517 N ASP A 33 -10.387 6.744 6.480 1.00 0.00 N ATOM 518 CA ASP A 33 -10.152 6.259 5.125 1.00 0.00 C ATOM 519 C ASP A 33 -9.131 7.135 4.404 1.00 0.00 C ATOM 520 O ASP A 33 -8.089 6.654 3.959 1.00 0.00 O ATOM 521 CB ASP A 33 -11.462 6.228 4.337 1.00 0.00 C ATOM 522 CG ASP A 33 -11.449 5.188 3.233 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.358 4.662 2.927 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.528 4.902 2.674 1.00 0.00 O ATOM 0 H ASP A 33 -11.310 7.152 6.627 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.753 5.247 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.287 6.021 5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.646 7.211 3.904 1.00 0.00 H new ATOM 529 N LYS A 34 -9.438 8.423 4.293 1.00 0.00 N ATOM 530 CA LYS A 34 -8.549 9.367 3.627 1.00 0.00 C ATOM 531 C LYS A 34 -7.209 9.455 4.350 1.00 0.00 C ATOM 532 O LYS A 34 -6.207 9.876 3.772 1.00 0.00 O ATOM 533 CB LYS A 34 -9.198 10.752 3.562 1.00 0.00 C ATOM 534 CG LYS A 34 -9.020 11.567 4.831 1.00 0.00 C ATOM 535 CD LYS A 34 -9.794 10.967 5.993 1.00 0.00 C ATOM 536 CE LYS A 34 -11.290 10.950 5.716 1.00 0.00 C ATOM 537 NZ LYS A 34 -11.798 12.297 5.335 1.00 0.00 N ATOM 0 H LYS A 34 -10.297 8.837 4.656 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.372 9.008 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.774 11.304 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.263 10.636 3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.961 11.618 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.356 12.589 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.445 9.951 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.597 11.541 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.503 10.242 4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.820 10.599 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.759 12.425 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.171 13.028 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.819 12.380 4.299 1.00 0.00 H new ATOM 551 N VAL A 35 -7.198 9.054 5.617 1.00 0.00 N ATOM 552 CA VAL A 35 -5.980 9.085 6.418 1.00 0.00 C ATOM 553 C VAL A 35 -4.944 8.104 5.882 1.00 0.00 C ATOM 554 O VAL A 35 -3.751 8.230 6.161 1.00 0.00 O ATOM 555 CB VAL A 35 -6.271 8.753 7.894 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.979 8.714 8.697 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.245 9.760 8.485 1.00 0.00 C ATOM 0 H VAL A 35 -8.019 8.704 6.111 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.584 10.098 6.352 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.731 7.766 7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.204 8.478 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.318 7.950 8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.488 9.686 8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.439 9.510 9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.815 10.760 8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.180 9.733 7.926 1.00 0.00 H new ATOM 567 N LEU A 36 -5.407 7.127 5.110 1.00 0.00 N ATOM 568 CA LEU A 36 -4.520 6.123 4.533 1.00 0.00 C ATOM 569 C LEU A 36 -4.552 6.180 3.009 1.00 0.00 C ATOM 570 O LEU A 36 -4.002 5.310 2.334 1.00 0.00 O ATOM 571 CB LEU A 36 -4.919 4.726 5.011 1.00 0.00 C ATOM 572 CG LEU A 36 -6.102 4.082 4.288 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.615 3.049 3.284 1.00 0.00 C ATOM 574 CD2 LEU A 36 -7.057 3.447 5.289 1.00 0.00 C ATOM 0 H LEU A 36 -6.391 7.009 4.869 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.504 6.337 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.055 4.069 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.155 4.781 6.074 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.640 4.860 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.471 2.601 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.971 3.532 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.053 2.273 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.893 2.993 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.531 2.681 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.432 4.211 5.970 1.00 0.00 H new ATOM 586 N ASN A 37 -5.198 7.210 2.474 1.00 0.00 N ATOM 587 CA ASN A 37 -5.301 7.382 1.029 1.00 0.00 C ATOM 588 C ASN A 37 -4.682 8.706 0.593 1.00 0.00 C ATOM 589 O ASN A 37 -4.249 8.853 -0.550 1.00 0.00 O ATOM 590 CB ASN A 37 -6.765 7.321 0.590 1.00 0.00 C ATOM 591 CG ASN A 37 -6.966 7.827 -0.826 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.376 7.306 -1.772 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.801 8.849 -0.976 1.00 0.00 N ATOM 0 H ASN A 37 -5.658 7.939 3.019 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.752 6.570 0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.120 6.293 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.372 7.914 1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.975 9.233 -1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.268 9.249 -0.163 1.00 0.00 H new ATOM 600 N GLU A 38 -4.643 9.666 1.512 1.00 0.00 N ATOM 601 CA GLU A 38 -4.077 10.978 1.221 1.00 0.00 C ATOM 602 C GLU A 38 -2.794 11.205 2.016 1.00 0.00 C ATOM 603 O GLU A 38 -1.949 12.015 1.635 1.00 0.00 O ATOM 604 CB GLU A 38 -5.090 12.078 1.543 1.00 0.00 C ATOM 605 CG GLU A 38 -5.069 12.520 2.996 1.00 0.00 C ATOM 606 CD GLU A 38 -6.399 13.085 3.454 1.00 0.00 C ATOM 607 OE1 GLU A 38 -7.345 13.109 2.639 1.00 0.00 O ATOM 608 OE2 GLU A 38 -6.494 13.504 4.627 1.00 0.00 O ATOM 0 H GLU A 38 -4.996 9.560 2.463 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.837 11.014 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.891 12.941 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.090 11.723 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.803 11.671 3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.293 13.273 3.131 1.00 0.00 H new ATOM 615 N LYS A 39 -2.656 10.484 3.124 1.00 0.00 N ATOM 616 CA LYS A 39 -1.477 10.605 3.974 1.00 0.00 C ATOM 617 C LYS A 39 -0.507 9.455 3.724 1.00 0.00 C ATOM 618 O LYS A 39 0.601 9.438 4.262 1.00 0.00 O ATOM 619 CB LYS A 39 -1.887 10.630 5.448 1.00 0.00 C ATOM 620 CG LYS A 39 -3.195 11.358 5.704 1.00 0.00 C ATOM 621 CD LYS A 39 -3.413 11.609 7.186 1.00 0.00 C ATOM 622 CE LYS A 39 -3.242 13.080 7.533 1.00 0.00 C ATOM 623 NZ LYS A 39 -4.021 13.458 8.746 1.00 0.00 N ATOM 0 H LYS A 39 -3.346 9.810 3.454 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.975 11.541 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.975 9.605 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.097 11.106 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.194 12.308 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.023 10.770 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.414 11.281 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.707 11.013 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.186 13.294 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.563 13.692 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.878 14.468 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.032 13.278 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.697 12.892 9.557 1.00 0.00 H new ATOM 637 N CYS A 40 -0.929 8.498 2.906 1.00 0.00 N ATOM 638 CA CYS A 40 -0.096 7.344 2.584 1.00 0.00 C ATOM 639 C CYS A 40 -0.801 6.423 1.594 1.00 0.00 C ATOM 640 O CYS A 40 -1.444 5.449 1.987 1.00 0.00 O ATOM 641 CB CYS A 40 0.255 6.572 3.857 1.00 0.00 C ATOM 642 SG CYS A 40 1.918 5.860 3.854 1.00 0.00 S ATOM 0 H CYS A 40 -1.843 8.498 2.453 1.00 0.00 H new ATOM 0 HA CYS A 40 0.822 7.707 2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.159 7.241 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.471 5.771 3.995 1.00 0.00 H new ATOM 0 HG CYS A 40 1.932 4.794 3.110 1.00 0.00 H new ATOM 648 N SER A 41 -0.678 6.738 0.309 1.00 0.00 N ATOM 649 CA SER A 41 -1.308 5.942 -0.737 1.00 0.00 C ATOM 650 C SER A 41 -0.282 5.499 -1.776 1.00 0.00 C ATOM 651 O SER A 41 -0.356 4.390 -2.305 1.00 0.00 O ATOM 652 CB SER A 41 -2.423 6.742 -1.414 1.00 0.00 C ATOM 653 OG SER A 41 -2.025 8.084 -1.637 1.00 0.00 O ATOM 0 H SER A 41 -0.147 7.539 -0.033 1.00 0.00 H new ATOM 0 HA SER A 41 -1.737 5.053 -0.274 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.685 6.275 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.318 6.723 -0.792 1.00 0.00 H new ATOM 0 HG SER A 41 -2.769 8.685 -1.425 1.00 0.00 H new ATOM 659 N VAL A 42 0.676 6.375 -2.063 1.00 0.00 N ATOM 660 CA VAL A 42 1.719 6.076 -3.037 1.00 0.00 C ATOM 661 C VAL A 42 2.905 5.382 -2.376 1.00 0.00 C ATOM 662 O VAL A 42 3.356 5.787 -1.304 1.00 0.00 O ATOM 663 CB VAL A 42 2.212 7.353 -3.741 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.624 8.402 -2.719 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.364 7.031 -4.682 1.00 0.00 C ATOM 0 H VAL A 42 0.751 7.298 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 42 1.279 5.409 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 42 1.392 7.760 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.970 9.297 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.770 8.653 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.428 8.008 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.700 7.945 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.188 6.599 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.030 6.318 -5.436 1.00 0.00 H new ATOM 675 N TYR A 43 3.407 4.336 -3.023 1.00 0.00 N ATOM 676 CA TYR A 43 4.540 3.584 -2.497 1.00 0.00 C ATOM 677 C TYR A 43 5.470 3.143 -3.623 1.00 0.00 C ATOM 678 O TYR A 43 5.034 2.911 -4.751 1.00 0.00 O ATOM 679 CB TYR A 43 4.051 2.363 -1.716 1.00 0.00 C ATOM 680 CG TYR A 43 3.065 2.700 -0.621 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.725 2.926 -0.911 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.473 2.791 0.704 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.820 3.234 0.086 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.575 3.098 1.708 1.00 0.00 C ATOM 685 CZ TYR A 43 1.250 3.319 1.394 1.00 0.00 C ATOM 686 OH TYR A 43 0.352 3.625 2.391 1.00 0.00 O ATOM 0 H TYR A 43 3.047 3.990 -3.912 1.00 0.00 H new ATOM 0 HA TYR A 43 5.097 4.237 -1.825 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.586 1.661 -2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.910 1.855 -1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.385 2.860 -1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.510 2.619 0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.218 3.407 -0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.908 3.165 2.733 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.487 3.936 1.991 1.00 0.00 H new ATOM 696 N THR A 44 6.757 3.029 -3.308 1.00 0.00 N ATOM 697 CA THR A 44 7.751 2.617 -4.292 1.00 0.00 C ATOM 698 C THR A 44 7.780 1.100 -4.440 1.00 0.00 C ATOM 699 O THR A 44 7.535 0.367 -3.481 1.00 0.00 O ATOM 700 CB THR A 44 9.158 3.111 -3.909 1.00 0.00 C ATOM 701 OG1 THR A 44 9.060 4.233 -3.024 1.00 0.00 O ATOM 702 CG2 THR A 44 9.949 3.505 -5.148 1.00 0.00 C ATOM 0 H THR A 44 7.135 3.216 -2.379 1.00 0.00 H new ATOM 0 HA THR A 44 7.462 3.067 -5.242 1.00 0.00 H new ATOM 0 HB THR A 44 9.680 2.297 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.959 4.540 -2.784 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.940 3.851 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.047 2.642 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.427 4.305 -5.674 1.00 0.00 H new ATOM 710 N VAL A 45 8.083 0.634 -5.648 1.00 0.00 N ATOM 711 CA VAL A 45 8.147 -0.797 -5.921 1.00 0.00 C ATOM 712 C VAL A 45 9.318 -1.130 -6.838 1.00 0.00 C ATOM 713 O VAL A 45 9.334 -0.741 -8.006 1.00 0.00 O ATOM 714 CB VAL A 45 6.843 -1.304 -6.566 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.395 -0.363 -7.674 1.00 0.00 C ATOM 716 CG2 VAL A 45 7.027 -2.717 -7.098 1.00 0.00 C ATOM 0 H VAL A 45 8.288 1.227 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 45 8.287 -1.296 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 45 6.065 -1.326 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.473 -0.737 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.222 0.630 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.169 -0.307 -8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.096 -3.060 -7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.818 -2.723 -7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.298 -3.382 -6.278 1.00 0.00 H new ATOM 726 N GLU A 46 10.297 -1.852 -6.302 1.00 0.00 N ATOM 727 CA GLU A 46 11.473 -2.237 -7.073 1.00 0.00 C ATOM 728 C GLU A 46 11.082 -3.111 -8.261 1.00 0.00 C ATOM 729 O GLU A 46 9.940 -3.557 -8.368 1.00 0.00 O ATOM 730 CB GLU A 46 12.472 -2.981 -6.185 1.00 0.00 C ATOM 731 CG GLU A 46 13.923 -2.649 -6.490 1.00 0.00 C ATOM 732 CD GLU A 46 14.638 -3.770 -7.219 1.00 0.00 C ATOM 733 OE1 GLU A 46 14.868 -4.829 -6.599 1.00 0.00 O ATOM 734 OE2 GLU A 46 14.966 -3.588 -8.410 1.00 0.00 O ATOM 0 H GLU A 46 10.299 -2.182 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 46 11.941 -1.328 -7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.265 -2.743 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.321 -4.054 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.965 -1.743 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.446 -2.435 -5.558 1.00 0.00 H new ATOM 741 N SER A 47 12.039 -3.351 -9.152 1.00 0.00 N ATOM 742 CA SER A 47 11.795 -4.168 -10.335 1.00 0.00 C ATOM 743 C SER A 47 11.795 -5.652 -9.980 1.00 0.00 C ATOM 744 O SER A 47 11.484 -6.501 -10.814 1.00 0.00 O ATOM 745 CB SER A 47 12.855 -3.887 -11.402 1.00 0.00 C ATOM 746 OG SER A 47 12.349 -4.138 -12.702 1.00 0.00 O ATOM 0 H SER A 47 12.990 -2.991 -9.077 1.00 0.00 H new ATOM 0 HA SER A 47 10.813 -3.907 -10.730 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.182 -2.850 -11.330 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.731 -4.511 -11.222 1.00 0.00 H new ATOM 0 HG SER A 47 13.045 -3.950 -13.366 1.00 0.00 H new ATOM 752 N GLY A 48 12.147 -5.956 -8.734 1.00 0.00 N ATOM 753 CA GLY A 48 12.181 -7.337 -8.289 1.00 0.00 C ATOM 754 C GLY A 48 11.096 -7.647 -7.277 1.00 0.00 C ATOM 755 O GLY A 48 10.745 -8.809 -7.068 1.00 0.00 O ATOM 0 H GLY A 48 12.409 -5.271 -8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.069 -7.996 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.155 -7.550 -7.849 1.00 0.00 H new ATOM 759 N THR A 49 10.563 -6.606 -6.645 1.00 0.00 N ATOM 760 CA THR A 49 9.514 -6.773 -5.647 1.00 0.00 C ATOM 761 C THR A 49 8.370 -7.623 -6.190 1.00 0.00 C ATOM 762 O THR A 49 7.983 -7.490 -7.350 1.00 0.00 O ATOM 763 CB THR A 49 8.955 -5.414 -5.187 1.00 0.00 C ATOM 764 OG1 THR A 49 9.962 -4.403 -5.311 1.00 0.00 O ATOM 765 CG2 THR A 49 8.477 -5.486 -3.745 1.00 0.00 C ATOM 0 H THR A 49 10.841 -5.638 -6.807 1.00 0.00 H new ATOM 0 HA THR A 49 9.966 -7.279 -4.794 1.00 0.00 H new ATOM 0 HB THR A 49 8.106 -5.161 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.139 -4.008 -4.432 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.086 -4.514 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.691 -6.236 -3.659 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.311 -5.759 -3.098 1.00 0.00 H new ATOM 773 N GLU A 50 7.833 -8.495 -5.342 1.00 0.00 N ATOM 774 CA GLU A 50 6.733 -9.366 -5.738 1.00 0.00 C ATOM 775 C GLU A 50 5.397 -8.811 -5.252 1.00 0.00 C ATOM 776 O GLU A 50 5.355 -7.873 -4.456 1.00 0.00 O ATOM 777 CB GLU A 50 6.944 -10.776 -5.182 1.00 0.00 C ATOM 778 CG GLU A 50 8.377 -11.268 -5.299 1.00 0.00 C ATOM 779 CD GLU A 50 9.073 -11.362 -3.955 1.00 0.00 C ATOM 780 OE1 GLU A 50 8.431 -11.817 -2.985 1.00 0.00 O ATOM 781 OE2 GLU A 50 10.259 -10.980 -3.873 1.00 0.00 O ATOM 0 H GLU A 50 8.142 -8.617 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 50 6.714 -9.411 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.648 -10.792 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.287 -11.468 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.383 -12.248 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.937 -10.594 -5.948 1.00 0.00 H new ATOM 788 N VAL A 51 4.308 -9.396 -5.739 1.00 0.00 N ATOM 789 CA VAL A 51 2.970 -8.961 -5.355 1.00 0.00 C ATOM 790 C VAL A 51 2.679 -9.301 -3.897 1.00 0.00 C ATOM 791 O VAL A 51 1.706 -8.818 -3.317 1.00 0.00 O ATOM 792 CB VAL A 51 1.893 -9.606 -6.246 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.565 -8.881 -6.089 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.338 -9.611 -7.701 1.00 0.00 C ATOM 0 H VAL A 51 4.326 -10.172 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 51 2.939 -7.879 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 51 1.755 -10.640 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.184 -9.351 -6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.242 -8.935 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.684 -7.837 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.565 -10.071 -8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.506 -8.587 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.263 -10.179 -7.797 1.00 0.00 H new ATOM 804 N THR A 52 3.529 -10.137 -3.309 1.00 0.00 N ATOM 805 CA THR A 52 3.364 -10.543 -1.919 1.00 0.00 C ATOM 806 C THR A 52 4.190 -9.664 -0.987 1.00 0.00 C ATOM 807 O THR A 52 3.844 -9.484 0.180 1.00 0.00 O ATOM 808 CB THR A 52 3.768 -12.014 -1.711 1.00 0.00 C ATOM 809 OG1 THR A 52 3.724 -12.343 -0.318 1.00 0.00 O ATOM 810 CG2 THR A 52 5.165 -12.273 -2.255 1.00 0.00 C ATOM 0 H THR A 52 4.339 -10.546 -3.774 1.00 0.00 H new ATOM 0 HA THR A 52 2.307 -10.428 -1.680 1.00 0.00 H new ATOM 0 HB THR A 52 3.061 -12.642 -2.254 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.981 -13.281 -0.195 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.429 -13.319 -2.097 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.187 -12.050 -3.322 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.881 -11.636 -1.737 1.00 0.00 H new ATOM 818 N GLU A 53 5.284 -9.119 -1.511 1.00 0.00 N ATOM 819 CA GLU A 53 6.160 -8.259 -0.724 1.00 0.00 C ATOM 820 C GLU A 53 5.411 -7.024 -0.232 1.00 0.00 C ATOM 821 O GLU A 53 5.624 -6.560 0.889 1.00 0.00 O ATOM 822 CB GLU A 53 7.375 -7.836 -1.552 1.00 0.00 C ATOM 823 CG GLU A 53 8.651 -7.705 -0.738 1.00 0.00 C ATOM 824 CD GLU A 53 9.900 -7.878 -1.580 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.775 -8.309 -2.745 1.00 0.00 O ATOM 826 OE2 GLU A 53 11.003 -7.583 -1.074 1.00 0.00 O ATOM 0 H GLU A 53 5.584 -9.258 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 53 6.500 -8.826 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.534 -8.565 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.162 -6.882 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.673 -6.726 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.648 -8.450 0.058 1.00 0.00 H new ATOM 833 N PHE A 54 4.533 -6.496 -1.078 1.00 0.00 N ATOM 834 CA PHE A 54 3.753 -5.314 -0.731 1.00 0.00 C ATOM 835 C PHE A 54 2.798 -5.611 0.421 1.00 0.00 C ATOM 836 O PHE A 54 2.472 -4.729 1.215 1.00 0.00 O ATOM 837 CB PHE A 54 2.965 -4.821 -1.947 1.00 0.00 C ATOM 838 CG PHE A 54 3.757 -4.845 -3.223 1.00 0.00 C ATOM 839 CD1 PHE A 54 4.959 -4.163 -3.321 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.299 -5.549 -4.325 1.00 0.00 C ATOM 841 CE1 PHE A 54 5.689 -4.182 -4.495 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.025 -5.573 -5.501 1.00 0.00 C ATOM 843 CZ PHE A 54 5.222 -4.889 -5.586 1.00 0.00 C ATOM 0 H PHE A 54 4.344 -6.868 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 54 4.445 -4.534 -0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.076 -5.439 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.623 -3.803 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.330 -3.610 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.364 -6.085 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.624 -3.645 -4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.657 -6.126 -6.352 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.792 -4.907 -6.503 1.00 0.00 H new ATOM 853 N ALA A 55 2.352 -6.860 0.505 1.00 0.00 N ATOM 854 CA ALA A 55 1.436 -7.275 1.560 1.00 0.00 C ATOM 855 C ALA A 55 2.028 -7.005 2.939 1.00 0.00 C ATOM 856 O ALA A 55 1.298 -6.852 3.919 1.00 0.00 O ATOM 857 CB ALA A 55 1.092 -8.750 1.410 1.00 0.00 C ATOM 0 H ALA A 55 2.610 -7.602 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 55 0.522 -6.689 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.407 -9.047 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.619 -8.917 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.003 -9.345 1.476 1.00 0.00 H new ATOM 863 N CYS A 56 3.353 -6.950 3.008 1.00 0.00 N ATOM 864 CA CYS A 56 4.043 -6.700 4.268 1.00 0.00 C ATOM 865 C CYS A 56 4.693 -5.320 4.268 1.00 0.00 C ATOM 866 O CYS A 56 5.510 -5.006 5.134 1.00 0.00 O ATOM 867 CB CYS A 56 5.103 -7.775 4.516 1.00 0.00 C ATOM 868 SG CYS A 56 4.635 -8.999 5.762 1.00 0.00 S ATOM 0 H CYS A 56 3.971 -7.075 2.206 1.00 0.00 H new ATOM 0 HA CYS A 56 3.305 -6.735 5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.311 -8.289 3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.029 -7.292 4.827 1.00 0.00 H new ATOM 0 HG CYS A 56 5.593 -9.866 5.900 1.00 0.00 H new ATOM 874 N VAL A 57 4.324 -4.499 3.290 1.00 0.00 N ATOM 875 CA VAL A 57 4.871 -3.152 3.177 1.00 0.00 C ATOM 876 C VAL A 57 3.768 -2.102 3.254 1.00 0.00 C ATOM 877 O VAL A 57 3.983 -0.994 3.745 1.00 0.00 O ATOM 878 CB VAL A 57 5.646 -2.970 1.858 1.00 0.00 C ATOM 879 CG1 VAL A 57 6.178 -1.549 1.743 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.778 -3.981 1.762 1.00 0.00 C ATOM 0 H VAL A 57 3.649 -4.743 2.565 1.00 0.00 H new ATOM 0 HA VAL A 57 5.556 -3.017 4.014 1.00 0.00 H new ATOM 0 HB VAL A 57 4.962 -3.145 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.723 -1.439 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.345 -0.846 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.848 -1.343 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.315 -3.838 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.464 -3.840 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.368 -4.990 1.795 1.00 0.00 H new ATOM 890 N VAL A 58 2.584 -2.459 2.766 1.00 0.00 N ATOM 891 CA VAL A 58 1.445 -1.549 2.781 1.00 0.00 C ATOM 892 C VAL A 58 0.579 -1.773 4.016 1.00 0.00 C ATOM 893 O VAL A 58 -0.388 -1.048 4.247 1.00 0.00 O ATOM 894 CB VAL A 58 0.575 -1.718 1.521 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.418 -0.573 1.400 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.449 -1.809 0.279 1.00 0.00 C ATOM 0 H VAL A 58 2.389 -3.372 2.355 1.00 0.00 H new ATOM 0 HA VAL A 58 1.849 -0.537 2.802 1.00 0.00 H new ATOM 0 HB VAL A 58 0.012 -2.647 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.024 -0.710 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.065 -0.559 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.122 0.371 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.818 -1.928 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.039 -0.898 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.117 -2.666 0.366 1.00 0.00 H new ATOM 906 N ALA A 59 0.934 -2.780 4.806 1.00 0.00 N ATOM 907 CA ALA A 59 0.191 -3.098 6.019 1.00 0.00 C ATOM 908 C ALA A 59 1.014 -2.784 7.264 1.00 0.00 C ATOM 909 O ALA A 59 0.557 -2.991 8.388 1.00 0.00 O ATOM 910 CB ALA A 59 -0.226 -4.561 6.015 1.00 0.00 C ATOM 0 H ALA A 59 1.732 -3.390 4.628 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.705 -2.477 6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.780 -4.784 6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.859 -4.757 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.661 -5.192 5.966 1.00 0.00 H new ATOM 916 N GLU A 60 2.228 -2.286 7.056 1.00 0.00 N ATOM 917 CA GLU A 60 3.114 -1.945 8.163 1.00 0.00 C ATOM 918 C GLU A 60 3.215 -0.432 8.334 1.00 0.00 C ATOM 919 O GLU A 60 3.300 0.072 9.454 1.00 0.00 O ATOM 920 CB GLU A 60 4.506 -2.537 7.932 1.00 0.00 C ATOM 921 CG GLU A 60 5.197 -2.000 6.690 1.00 0.00 C ATOM 922 CD GLU A 60 6.224 -0.931 7.010 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.278 -1.273 7.586 1.00 0.00 O ATOM 924 OE2 GLU A 60 5.974 0.248 6.683 1.00 0.00 O ATOM 0 H GLU A 60 2.621 -2.110 6.131 1.00 0.00 H new ATOM 0 HA GLU A 60 2.693 -2.369 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.129 -2.330 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.422 -3.621 7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.685 -2.822 6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.449 -1.589 6.012 1.00 0.00 H new ATOM 931 N ALA A 61 3.205 0.286 7.216 1.00 0.00 N ATOM 932 CA ALA A 61 3.293 1.741 7.242 1.00 0.00 C ATOM 933 C ALA A 61 1.938 2.367 7.553 1.00 0.00 C ATOM 934 O ALA A 61 1.861 3.428 8.174 1.00 0.00 O ATOM 935 CB ALA A 61 3.825 2.260 5.914 1.00 0.00 C ATOM 0 H ALA A 61 3.137 -0.116 6.281 1.00 0.00 H new ATOM 0 HA ALA A 61 3.985 2.025 8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.886 3.348 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.817 1.846 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.154 1.958 5.110 1.00 0.00 H new ATOM 941 N VAL A 62 0.871 1.706 7.117 1.00 0.00 N ATOM 942 CA VAL A 62 -0.482 2.198 7.349 1.00 0.00 C ATOM 943 C VAL A 62 -0.812 2.216 8.837 1.00 0.00 C ATOM 944 O VAL A 62 -1.560 3.073 9.308 1.00 0.00 O ATOM 945 CB VAL A 62 -1.526 1.338 6.613 1.00 0.00 C ATOM 946 CG1 VAL A 62 -1.468 1.593 5.115 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.314 -0.136 6.920 1.00 0.00 C ATOM 0 H VAL A 62 0.917 0.828 6.601 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.520 3.215 6.959 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.518 1.620 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.213 0.976 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.674 2.645 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.476 1.341 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.061 -0.729 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.317 -0.435 6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.412 -0.302 7.993 1.00 0.00 H new ATOM 957 N VAL A 63 -0.248 1.265 9.575 1.00 0.00 N ATOM 958 CA VAL A 63 -0.480 1.172 11.011 1.00 0.00 C ATOM 959 C VAL A 63 -0.064 2.456 11.719 1.00 0.00 C ATOM 960 O VAL A 63 -0.906 3.210 12.208 1.00 0.00 O ATOM 961 CB VAL A 63 0.286 -0.013 11.628 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.118 -0.029 13.140 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.182 -1.326 11.018 1.00 0.00 C ATOM 0 H VAL A 63 0.373 0.548 9.201 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.550 1.015 11.149 1.00 0.00 H new ATOM 0 HB VAL A 63 1.346 0.107 11.405 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.666 -0.873 13.558 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.506 0.899 13.559 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.939 -0.125 13.388 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.370 -2.152 11.466 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.247 -1.456 11.208 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.004 -1.311 9.943 1.00 0.00 H new ATOM 973 N LYS A 64 1.241 2.700 11.772 1.00 0.00 N ATOM 974 CA LYS A 64 1.771 3.895 12.419 1.00 0.00 C ATOM 975 C LYS A 64 1.142 5.155 11.833 1.00 0.00 C ATOM 976 O LYS A 64 0.993 6.165 12.522 1.00 0.00 O ATOM 977 CB LYS A 64 3.292 3.951 12.264 1.00 0.00 C ATOM 978 CG LYS A 64 3.765 3.764 10.832 1.00 0.00 C ATOM 979 CD LYS A 64 4.743 2.607 10.715 1.00 0.00 C ATOM 980 CE LYS A 64 6.008 2.862 11.522 1.00 0.00 C ATOM 981 NZ LYS A 64 7.231 2.772 10.678 1.00 0.00 N ATOM 0 H LYS A 64 1.952 2.086 11.374 1.00 0.00 H new ATOM 0 HA LYS A 64 1.522 3.846 13.479 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.651 4.911 12.634 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.741 3.180 12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.907 3.583 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.240 4.680 10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.267 1.690 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.003 2.454 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.954 3.850 11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.073 2.138 12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.071 2.952 11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.296 1.821 10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.181 3.480 9.918 1.00 0.00 H new ATOM 995 N THR A 65 0.774 5.089 10.557 1.00 0.00 N ATOM 996 CA THR A 65 0.161 6.225 9.879 1.00 0.00 C ATOM 997 C THR A 65 -1.286 6.413 10.320 1.00 0.00 C ATOM 998 O THR A 65 -1.834 7.513 10.235 1.00 0.00 O ATOM 999 CB THR A 65 0.202 6.054 8.349 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.560 5.987 7.900 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.510 7.206 7.657 1.00 0.00 C ATOM 0 H THR A 65 0.890 4.261 9.973 1.00 0.00 H new ATOM 0 HA THR A 65 0.739 7.107 10.154 1.00 0.00 H new ATOM 0 HB THR A 65 -0.310 5.126 8.095 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.951 5.129 8.167 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.468 7.064 6.577 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.551 7.236 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.022 8.145 7.918 1.00 0.00 H new ATOM 1009 N LEU A 66 -1.901 5.334 10.791 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.286 5.380 11.246 1.00 0.00 C ATOM 1011 C LEU A 66 -3.393 4.960 12.709 1.00 0.00 C ATOM 1012 O LEU A 66 -4.152 4.054 13.050 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.159 4.472 10.378 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.566 5.035 9.016 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -3.452 4.833 8.000 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -5.855 4.384 8.533 1.00 0.00 C ATOM 0 H LEU A 66 -1.462 4.416 10.868 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.638 6.407 11.155 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.626 3.535 10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.065 4.232 10.935 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.741 6.105 9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.760 5.240 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.552 5.346 8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.245 3.768 7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.130 4.797 7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.707 3.308 8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.653 4.581 9.250 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.629 5.628 13.568 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.640 5.325 14.994 1.00 0.00 C ATOM 1030 C GLN A 67 -2.896 6.583 15.816 1.00 0.00 C ATOM 1031 O GLN A 67 -2.341 6.771 16.899 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.312 4.690 15.412 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.265 3.185 15.204 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.948 2.429 16.480 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.848 1.961 17.178 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.337 2.306 16.791 1.00 0.00 N ATOM 0 H GLN A 67 -1.995 6.382 13.301 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.448 4.619 15.183 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.504 5.152 14.845 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.129 4.909 16.464 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.225 2.846 14.814 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.514 2.949 14.450 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.050 2.710 16.183 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.611 1.808 17.638 1.00 0.00 H new ATOM 1045 N PRO A 68 -3.757 7.468 15.292 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.107 8.724 15.961 1.00 0.00 C ATOM 1047 C PRO A 68 -4.949 8.500 17.213 1.00 0.00 C ATOM 1048 O PRO A 68 -4.659 9.051 18.275 1.00 0.00 O ATOM 1049 CB PRO A 68 -4.916 9.477 14.901 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.479 8.411 14.026 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.456 7.310 14.005 1.00 0.00 C ATOM 0 HA PRO A 68 -3.224 9.262 16.305 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.706 10.074 15.356 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.285 10.162 14.334 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.432 8.051 14.413 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.666 8.789 13.021 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.923 6.329 13.920 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.773 7.412 13.162 1.00 0.00 H new ATOM 1059 N VAL A 69 -5.992 7.686 17.081 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.874 7.387 18.202 1.00 0.00 C ATOM 1061 C VAL A 69 -7.540 6.026 18.030 1.00 0.00 C ATOM 1062 O VAL A 69 -8.762 5.931 17.920 1.00 0.00 O ATOM 1063 CB VAL A 69 -7.965 8.463 18.360 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.386 9.721 18.990 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.604 8.775 17.016 1.00 0.00 C ATOM 0 H VAL A 69 -6.246 7.222 16.209 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.253 7.374 19.098 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.739 8.077 19.023 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.171 10.470 19.094 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.980 9.482 19.973 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.592 10.113 18.355 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.372 9.537 17.147 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.843 9.142 16.327 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.056 7.870 16.609 1.00 0.00 H new ATOM 1075 N SER A 70 -6.727 4.975 18.008 1.00 0.00 N ATOM 1076 CA SER A 70 -7.236 3.618 17.846 1.00 0.00 C ATOM 1077 C SER A 70 -7.924 3.140 19.122 1.00 0.00 C ATOM 1078 O SER A 70 -8.551 2.081 19.143 1.00 0.00 O ATOM 1079 CB SER A 70 -6.099 2.664 17.479 1.00 0.00 C ATOM 1080 OG SER A 70 -4.862 3.120 17.998 1.00 0.00 O ATOM 0 H SER A 70 -5.713 5.037 18.100 1.00 0.00 H new ATOM 0 HA SER A 70 -7.969 3.626 17.039 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.315 1.669 17.868 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.031 2.575 16.395 1.00 0.00 H new ATOM 0 HG SER A 70 -4.152 2.492 17.751 1.00 0.00 H new ATOM 1086 N ASP A 71 -7.801 3.929 20.184 1.00 0.00 N ATOM 1087 CA ASP A 71 -8.411 3.588 21.464 1.00 0.00 C ATOM 1088 C ASP A 71 -9.931 3.671 21.381 1.00 0.00 C ATOM 1089 O ASP A 71 -10.640 3.172 22.256 1.00 0.00 O ATOM 1090 CB ASP A 71 -7.896 4.520 22.562 1.00 0.00 C ATOM 1091 CG ASP A 71 -6.388 4.674 22.531 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -5.692 3.808 23.101 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -5.904 5.661 21.938 1.00 0.00 O ATOM 0 H ASP A 71 -7.285 4.809 20.184 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.134 2.562 21.709 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.361 5.500 22.450 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.199 4.133 23.535 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.427 4.304 20.323 1.00 0.00 N ATOM 1099 CA LEU A 72 -11.865 4.454 20.126 1.00 0.00 C ATOM 1100 C LEU A 72 -12.387 3.427 19.125 1.00 0.00 C ATOM 1101 O LEU A 72 -13.565 3.069 19.144 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.189 5.867 19.639 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.842 6.170 18.181 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -13.020 5.847 17.274 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.429 7.626 18.022 1.00 0.00 C ATOM 0 H LEU A 72 -9.855 4.721 19.589 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.357 4.285 21.084 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.255 6.044 19.782 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.660 6.579 20.273 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.001 5.541 17.890 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.755 6.069 16.240 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.271 4.790 17.366 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.880 6.450 17.565 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.186 7.823 16.978 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.250 8.273 18.332 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.555 7.826 18.642 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.502 2.955 18.254 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.872 1.967 17.246 1.00 0.00 C ATOM 1119 C LEU A 73 -11.998 0.579 17.866 1.00 0.00 C ATOM 1120 O LEU A 73 -12.764 -0.259 17.389 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.836 1.944 16.121 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.285 3.303 15.689 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.152 3.126 14.690 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.391 4.163 15.096 1.00 0.00 C ATOM 0 H LEU A 73 -10.523 3.240 18.225 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.840 2.250 16.833 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.000 1.319 16.436 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.284 1.463 15.252 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.890 3.810 16.569 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.772 4.104 14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.349 2.549 15.149 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.521 2.599 13.811 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.980 5.127 14.794 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.816 3.661 14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.171 4.318 15.842 1.00 0.00 H new ATOM 1136 N THR A 74 -11.242 0.342 18.933 1.00 0.00 N ATOM 1137 CA THR A 74 -11.269 -0.944 19.619 1.00 0.00 C ATOM 1138 C THR A 74 -12.665 -1.257 20.145 1.00 0.00 C ATOM 1139 O THR A 74 -13.009 -2.417 20.368 1.00 0.00 O ATOM 1140 CB THR A 74 -10.272 -0.976 20.793 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.418 0.172 20.741 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.430 -2.242 20.753 1.00 0.00 C ATOM 0 H THR A 74 -10.603 1.024 19.341 1.00 0.00 H new ATOM 0 HA THR A 74 -10.981 -1.699 18.887 1.00 0.00 H new ATOM 0 HB THR A 74 -10.839 -0.965 21.724 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.788 0.145 21.491 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.733 -2.242 21.591 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.081 -3.114 20.821 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.872 -2.278 19.818 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.467 -0.215 20.340 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.827 -0.379 20.840 1.00 0.00 C ATOM 1152 C ASN A 75 -15.837 -0.322 19.697 1.00 0.00 C ATOM 1153 O ASN A 75 -16.965 -0.795 19.829 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.147 0.702 21.874 1.00 0.00 C ATOM 1155 CG ASN A 75 -15.138 2.095 21.275 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -15.900 2.392 20.354 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -14.273 2.958 21.796 1.00 0.00 N ATOM 0 H ASN A 75 -13.198 0.752 20.159 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.898 -1.358 21.315 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.125 0.504 22.312 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.419 0.653 22.684 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.221 3.910 21.434 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.660 2.669 22.559 1.00 0.00 H new ATOM 1164 N MET A 76 -15.422 0.261 18.577 1.00 0.00 N ATOM 1165 CA MET A 76 -16.290 0.379 17.411 1.00 0.00 C ATOM 1166 C MET A 76 -16.317 -0.925 16.620 1.00 0.00 C ATOM 1167 O MET A 76 -17.291 -1.224 15.930 1.00 0.00 O ATOM 1168 CB MET A 76 -15.820 1.524 16.513 1.00 0.00 C ATOM 1169 CG MET A 76 -16.701 2.760 16.594 1.00 0.00 C ATOM 1170 SD MET A 76 -16.611 3.776 15.106 1.00 0.00 S ATOM 1171 CE MET A 76 -14.839 3.862 14.862 1.00 0.00 C ATOM 0 H MET A 76 -14.491 0.659 18.452 1.00 0.00 H new ATOM 0 HA MET A 76 -17.300 0.592 17.761 1.00 0.00 H new ATOM 0 HB2 MET A 76 -14.801 1.796 16.788 1.00 0.00 H new ATOM 0 HB3 MET A 76 -15.790 1.176 15.480 1.00 0.00 H new ATOM 0 HG2 MET A 76 -17.734 2.455 16.759 1.00 0.00 H new ATOM 0 HG3 MET A 76 -16.404 3.358 17.456 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.572 4.846 14.477 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.332 3.694 15.812 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.533 3.098 14.148 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.240 -1.699 16.724 1.00 0.00 N ATOM 1182 CA GLY A 77 -15.161 -2.961 16.012 1.00 0.00 C ATOM 1183 C GLY A 77 -13.988 -3.014 15.055 1.00 0.00 C ATOM 1184 O GLY A 77 -13.949 -3.856 14.157 1.00 0.00 O ATOM 0 H GLY A 77 -14.421 -1.474 17.289 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.076 -3.776 16.731 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.086 -3.120 15.457 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.030 -2.114 15.245 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.850 -2.062 14.391 1.00 0.00 C ATOM 1190 C ILE A 78 -10.570 -2.044 15.220 1.00 0.00 C ATOM 1191 O ILE A 78 -10.283 -1.071 15.917 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.872 -0.823 13.475 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -13.029 -0.919 12.478 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.545 -0.682 12.744 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.274 0.362 11.713 1.00 0.00 C ATOM 0 H ILE A 78 -13.048 -1.410 15.983 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.868 -2.961 13.775 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.021 0.064 14.091 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.822 -1.722 11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.938 -1.192 13.014 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.576 0.197 12.101 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.739 -0.573 13.470 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.368 -1.570 12.137 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.108 0.221 11.025 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.512 1.164 12.412 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.379 0.626 11.149 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.805 -3.127 15.139 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.553 -3.235 15.880 1.00 0.00 C ATOM 1209 C ASP A 79 -7.379 -2.743 15.039 1.00 0.00 C ATOM 1210 O ASP A 79 -7.265 -3.075 13.858 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.316 -4.683 16.312 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.116 -4.815 17.809 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -9.126 -4.809 18.544 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -6.951 -4.924 18.245 1.00 0.00 O ATOM 0 H ASP A 79 -10.029 -3.942 14.568 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.629 -2.606 16.767 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.165 -5.294 16.007 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.440 -5.074 15.795 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.510 -1.949 15.654 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.344 -1.410 14.961 1.00 0.00 C ATOM 1221 C LEU A 80 -4.143 -2.339 15.112 1.00 0.00 C ATOM 1222 O LEU A 80 -3.322 -2.460 14.203 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.001 -0.022 15.505 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.493 0.993 14.480 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.125 0.584 13.956 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.484 1.136 13.335 1.00 0.00 C ATOM 0 H LEU A 80 -6.590 -1.664 16.630 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.586 -1.329 13.901 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.890 0.389 15.984 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.244 -0.135 16.281 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.396 1.960 14.973 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.780 1.318 13.228 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.418 0.534 14.784 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.195 -0.394 13.480 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.106 1.862 12.615 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.614 0.172 12.844 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.443 1.477 13.725 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.049 -2.993 16.264 1.00 0.00 N ATOM 1239 CA ASP A 81 -2.951 -3.914 16.533 1.00 0.00 C ATOM 1240 C ASP A 81 -3.042 -5.144 15.636 1.00 0.00 C ATOM 1241 O ASP A 81 -2.041 -5.815 15.385 1.00 0.00 O ATOM 1242 CB ASP A 81 -2.959 -4.336 18.003 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.896 -3.624 18.816 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -1.966 -2.382 18.926 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -0.995 -4.309 19.344 1.00 0.00 O ATOM 0 H ASP A 81 -4.720 -2.903 17.027 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.015 -3.398 16.317 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.939 -4.129 18.432 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.803 -5.413 18.070 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.248 -5.435 15.159 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.469 -6.586 14.292 1.00 0.00 C ATOM 1252 C GLU A 82 -4.013 -6.289 12.866 1.00 0.00 C ATOM 1253 O GLU A 82 -3.591 -7.188 12.139 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.948 -6.979 14.295 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.791 -6.184 13.313 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.271 -6.237 13.637 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.714 -7.244 14.228 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -8.987 -5.270 13.300 1.00 0.00 O ATOM 0 H GLU A 82 -5.087 -4.890 15.358 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.879 -7.417 14.678 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.034 -8.040 14.059 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.349 -6.842 15.299 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.460 -5.145 13.314 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.629 -6.569 12.306 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.102 -5.024 12.475 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.700 -4.608 11.136 1.00 0.00 C ATOM 1267 C TRP A 83 -2.267 -5.036 10.841 1.00 0.00 C ATOM 1268 O TRP A 83 -1.897 -5.245 9.685 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.833 -3.091 10.990 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.240 -2.638 10.746 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.384 -3.323 11.044 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.653 -1.403 10.152 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.483 -2.586 10.671 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.061 -1.404 10.122 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.970 -0.294 9.644 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.796 -0.341 9.603 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.700 0.760 9.130 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.101 0.731 9.113 1.00 0.00 C ATOM 0 H TRP A 83 -4.449 -4.268 13.065 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.360 -5.094 10.417 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.457 -2.612 11.894 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.203 -2.756 10.166 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.420 -4.299 11.505 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.455 -2.873 10.785 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.891 -0.262 9.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.876 -0.362 9.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.182 1.621 8.734 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.643 1.571 8.705 1.00 0.00 H new ATOM 1289 N SER A 84 -1.464 -5.165 11.892 1.00 0.00 N ATOM 1290 CA SER A 84 -0.069 -5.565 11.744 1.00 0.00 C ATOM 1291 C SER A 84 0.057 -7.085 11.691 1.00 0.00 C ATOM 1292 O SER A 84 1.009 -7.621 11.124 1.00 0.00 O ATOM 1293 CB SER A 84 0.768 -5.012 12.899 1.00 0.00 C ATOM 1294 OG SER A 84 1.010 -6.010 13.876 1.00 0.00 O ATOM 0 H SER A 84 -1.755 -4.998 12.855 1.00 0.00 H new ATOM 0 HA SER A 84 0.304 -5.154 10.806 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.717 -4.635 12.517 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.251 -4.169 13.356 1.00 0.00 H new ATOM 0 HG SER A 84 1.548 -5.633 14.603 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.911 -7.774 12.287 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.910 -9.232 12.308 1.00 0.00 C ATOM 1302 C VAL A 85 -2.117 -9.793 11.566 1.00 0.00 C ATOM 1303 O VAL A 85 -2.727 -10.770 11.999 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.912 -9.772 13.751 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.320 -9.293 14.502 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.184 -9.355 14.474 1.00 0.00 C ATOM 0 H VAL A 85 -1.706 -7.346 12.762 1.00 0.00 H new ATOM 0 HA VAL A 85 0.003 -9.555 11.808 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.884 -10.861 13.713 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.301 -9.684 15.519 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.217 -9.647 13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.327 -8.203 14.533 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.169 -9.745 15.492 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.246 -8.267 14.503 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.050 -9.754 13.946 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.457 -9.168 10.443 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.590 -9.606 9.638 1.00 0.00 C ATOM 1318 C ALA A 86 -3.144 -10.014 8.237 1.00 0.00 C ATOM 1319 O ALA A 86 -1.959 -9.952 7.909 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.640 -8.507 9.560 1.00 0.00 C ATOM 0 H ALA A 86 -1.964 -8.357 10.071 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.029 -10.479 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.480 -8.849 8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.990 -8.266 10.564 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.203 -7.618 9.105 1.00 0.00 H new ATOM 1326 N THR A 87 -4.101 -10.431 7.414 1.00 0.00 N ATOM 1327 CA THR A 87 -3.806 -10.850 6.050 1.00 0.00 C ATOM 1328 C THR A 87 -4.223 -9.783 5.044 1.00 0.00 C ATOM 1329 O THR A 87 -5.403 -9.650 4.719 1.00 0.00 O ATOM 1330 CB THR A 87 -4.516 -12.172 5.703 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.437 -13.077 6.810 1.00 0.00 O ATOM 1332 CG2 THR A 87 -3.894 -12.814 4.472 1.00 0.00 C ATOM 0 H THR A 87 -5.087 -10.487 7.669 1.00 0.00 H new ATOM 0 HA THR A 87 -2.728 -10.999 5.991 1.00 0.00 H new ATOM 0 HB THR A 87 -5.562 -11.951 5.489 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.892 -13.914 6.581 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.412 -13.746 4.247 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.983 -12.135 3.624 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.841 -13.021 4.662 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.248 -9.025 4.555 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.515 -7.968 3.585 1.00 0.00 C ATOM 1342 C PHE A 88 -3.302 -8.471 2.161 1.00 0.00 C ATOM 1343 O PHE A 88 -2.253 -9.029 1.837 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.612 -6.762 3.852 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.220 -5.752 4.782 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.853 -6.156 5.947 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.160 -4.399 4.492 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.414 -5.228 6.805 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.719 -3.467 5.346 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.348 -3.882 6.503 1.00 0.00 C ATOM 0 H PHE A 88 -2.266 -9.122 4.814 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.556 -7.665 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.669 -7.111 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.378 -6.277 2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.909 -7.207 6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.671 -4.068 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.903 -5.555 7.710 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.664 -2.415 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.787 -3.156 7.170 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.305 -8.270 1.313 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.231 -8.705 -0.077 1.00 0.00 C ATOM 1362 C TYR A 89 -4.203 -7.508 -1.022 1.00 0.00 C ATOM 1363 O TYR A 89 -4.394 -6.366 -0.602 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.418 -9.609 -0.414 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.384 -10.944 0.295 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.668 -12.013 -0.229 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.067 -11.136 1.490 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -4.635 -13.235 0.415 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.038 -12.353 2.141 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.321 -13.400 1.600 1.00 0.00 C ATOM 1371 OH TYR A 89 -5.289 -14.615 2.245 1.00 0.00 O ATOM 0 H TYR A 89 -5.179 -7.808 1.564 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.307 -9.268 -0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.342 -9.093 -0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.440 -9.779 -1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.128 -11.887 -1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.630 -10.319 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.075 -14.056 -0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.574 -12.485 3.069 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.439 -15.064 2.055 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.964 -7.778 -2.300 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.912 -6.724 -3.308 1.00 0.00 C ATOM 1383 C LEU A 90 -4.551 -7.187 -4.613 1.00 0.00 C ATOM 1384 O LEU A 90 -4.798 -8.377 -4.808 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.464 -6.301 -3.557 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.659 -5.902 -2.320 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.509 -6.872 -2.095 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -1.138 -4.478 -2.459 1.00 0.00 C ATOM 0 H LEU A 90 -3.803 -8.717 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.474 -5.869 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.947 -7.122 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.466 -5.460 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.318 -5.944 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.052 -6.572 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.904 -7.877 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.150 -6.863 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.567 -4.211 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.495 -4.410 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.978 -3.792 -2.571 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.814 -6.238 -5.506 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.422 -6.548 -6.795 1.00 0.00 C ATOM 1402 C PHE A 91 -5.210 -5.407 -7.785 1.00 0.00 C ATOM 1403 O PHE A 91 -4.605 -4.388 -7.454 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.918 -6.819 -6.624 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.270 -8.279 -6.645 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.029 -9.047 -7.773 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.842 -8.883 -5.538 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.350 -10.391 -7.796 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.166 -10.227 -5.555 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.921 -10.981 -6.685 1.00 0.00 C ATOM 0 H PHE A 91 -4.616 -5.248 -5.361 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.940 -7.442 -7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.252 -6.387 -5.681 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.464 -6.311 -7.419 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.585 -8.590 -8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.037 -8.298 -4.652 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.155 -10.979 -8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.611 -10.687 -4.685 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.175 -12.031 -6.701 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.712 -5.587 -9.002 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.578 -4.574 -10.042 1.00 0.00 C ATOM 1422 C ASP A 92 -6.924 -4.293 -10.703 1.00 0.00 C ATOM 1423 O ASP A 92 -7.932 -4.916 -10.370 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.563 -5.022 -11.094 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.162 -5.152 -10.529 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -3.010 -5.778 -9.458 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -2.219 -4.629 -11.157 1.00 0.00 O ATOM 0 H ASP A 92 -6.215 -6.425 -9.292 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.223 -3.655 -9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.874 -5.980 -11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.555 -4.306 -11.915 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.932 -3.351 -11.639 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.154 -2.987 -12.347 1.00 0.00 C ATOM 1434 C ASP A 93 -8.646 -4.143 -13.211 1.00 0.00 C ATOM 1435 O ASP A 93 -9.783 -4.139 -13.682 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.917 -1.750 -13.216 1.00 0.00 C ATOM 1437 CG ASP A 93 -9.183 -1.270 -13.898 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -10.160 -0.961 -13.184 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -9.196 -1.204 -15.145 1.00 0.00 O ATOM 0 H ASP A 93 -6.106 -2.825 -11.925 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.920 -2.759 -11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.514 -0.947 -12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.165 -1.979 -13.971 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.782 -5.132 -13.417 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.129 -6.295 -14.223 1.00 0.00 C ATOM 1446 C ALA A 94 -8.513 -7.479 -13.342 1.00 0.00 C ATOM 1447 O ALA A 94 -8.742 -8.583 -13.834 1.00 0.00 O ATOM 1448 CB ALA A 94 -6.971 -6.669 -15.137 1.00 0.00 C ATOM 0 H ALA A 94 -6.836 -5.150 -13.036 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.992 -6.036 -14.836 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.245 -7.540 -15.733 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.745 -5.833 -15.798 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.093 -6.903 -14.535 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.583 -7.241 -12.036 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.939 -8.298 -11.107 1.00 0.00 C ATOM 1456 C GLY A 95 -7.841 -9.333 -10.958 1.00 0.00 C ATOM 1457 O GLY A 95 -8.117 -10.507 -10.711 1.00 0.00 O ATOM 0 H GLY A 95 -8.400 -6.335 -11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.158 -7.862 -10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.851 -8.787 -11.450 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.595 -8.898 -11.111 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.453 -9.797 -10.995 1.00 0.00 C ATOM 1463 C GLU A 96 -4.387 -9.207 -10.076 1.00 0.00 C ATOM 1464 O GLU A 96 -4.305 -7.991 -9.906 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.854 -10.079 -12.374 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.236 -8.855 -13.031 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.553 -9.181 -14.344 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.078 -10.325 -14.499 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.493 -8.290 -15.218 1.00 0.00 O ATOM 0 H GLU A 96 -6.350 -7.929 -11.315 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.804 -10.734 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.093 -10.853 -12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.633 -10.476 -13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.012 -8.110 -13.205 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.512 -8.408 -12.350 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.573 -10.077 -9.487 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.513 -9.642 -8.585 1.00 0.00 C ATOM 1478 C GLU A 97 -1.294 -9.166 -9.368 1.00 0.00 C ATOM 1479 O GLU A 97 -0.371 -9.936 -9.630 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.116 -10.780 -7.643 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.506 -10.536 -6.195 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.229 -11.734 -5.306 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -1.608 -12.701 -5.793 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -2.635 -11.703 -4.126 1.00 0.00 O ATOM 0 H GLU A 97 -3.627 -11.087 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.892 -8.808 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.583 -11.703 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.038 -10.928 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.959 -9.673 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.566 -10.289 -6.145 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.298 -7.890 -9.740 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.192 -7.310 -10.494 1.00 0.00 C ATOM 1493 C ASN A 98 0.308 -6.030 -9.830 1.00 0.00 C ATOM 1494 O ASN A 98 -0.296 -5.536 -8.878 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.628 -7.015 -11.931 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.474 -8.219 -12.840 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.224 -9.277 -12.552 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.308 -8.198 -13.790 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.054 -7.238 -9.532 1.00 0.00 H new ATOM 0 HA ASN A 98 0.624 -8.033 -10.509 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.669 -6.692 -11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.037 -6.188 -12.325 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.865 -7.363 -13.974 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.400 -9.015 -14.393 1.00 0.00 H new ATOM 1505 N PHE A 99 1.414 -5.499 -10.340 1.00 0.00 N ATOM 1506 CA PHE A 99 1.996 -4.277 -9.797 1.00 0.00 C ATOM 1507 C PHE A 99 1.987 -3.161 -10.837 1.00 0.00 C ATOM 1508 O PHE A 99 3.024 -2.568 -11.135 1.00 0.00 O ATOM 1509 CB PHE A 99 3.427 -4.536 -9.322 1.00 0.00 C ATOM 1510 CG PHE A 99 4.176 -5.515 -10.181 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.686 -5.128 -11.410 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.369 -6.821 -9.761 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.376 -6.026 -12.203 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.058 -7.722 -10.549 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.561 -7.325 -11.773 1.00 0.00 C ATOM 0 H PHE A 99 1.925 -5.896 -11.128 1.00 0.00 H new ATOM 0 HA PHE A 99 1.390 -3.962 -8.947 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.971 -3.592 -9.302 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.400 -4.910 -8.298 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.543 -4.114 -11.752 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.976 -7.138 -8.806 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.770 -5.712 -13.158 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.204 -8.737 -10.209 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.098 -8.029 -12.392 1.00 0.00 H new ATOM 1525 N SER A 100 0.810 -2.882 -11.387 1.00 0.00 N ATOM 1526 CA SER A 100 0.666 -1.840 -12.397 1.00 0.00 C ATOM 1527 C SER A 100 0.634 -0.458 -11.752 1.00 0.00 C ATOM 1528 O SER A 100 0.983 -0.299 -10.582 1.00 0.00 O ATOM 1529 CB SER A 100 -0.610 -2.064 -13.212 1.00 0.00 C ATOM 1530 OG SER A 100 -1.053 -3.406 -13.107 1.00 0.00 O ATOM 0 H SER A 100 -0.058 -3.363 -11.150 1.00 0.00 H new ATOM 0 HA SER A 100 1.528 -1.891 -13.062 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.392 -1.391 -12.861 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.425 -1.820 -14.258 1.00 0.00 H new ATOM 0 HG SER A 100 -1.634 -3.498 -12.323 1.00 0.00 H new ATOM 1536 N SER A 101 0.214 0.539 -12.524 1.00 0.00 N ATOM 1537 CA SER A 101 0.140 1.909 -12.030 1.00 0.00 C ATOM 1538 C SER A 101 -0.530 1.958 -10.660 1.00 0.00 C ATOM 1539 O SER A 101 0.031 2.488 -9.702 1.00 0.00 O ATOM 1540 CB SER A 101 -0.629 2.789 -13.018 1.00 0.00 C ATOM 1541 OG SER A 101 0.233 3.716 -13.654 1.00 0.00 O ATOM 0 H SER A 101 -0.080 0.424 -13.494 1.00 0.00 H new ATOM 0 HA SER A 101 1.157 2.288 -11.931 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.111 2.163 -13.768 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.420 3.324 -12.493 1.00 0.00 H new ATOM 0 HG SER A 101 -0.282 4.265 -14.281 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.734 1.400 -10.577 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.481 1.381 -9.326 1.00 0.00 C ATOM 1549 C ARG A 102 -2.900 -0.042 -8.965 1.00 0.00 C ATOM 1550 O ARG A 102 -2.987 -0.912 -9.830 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.718 2.276 -9.432 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.906 1.597 -10.092 1.00 0.00 C ATOM 1553 CD ARG A 102 -6.087 2.546 -10.224 1.00 0.00 C ATOM 1554 NE ARG A 102 -7.155 1.980 -11.043 1.00 0.00 N ATOM 1555 CZ ARG A 102 -7.147 1.990 -12.371 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -6.131 2.534 -13.027 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -8.156 1.455 -13.047 1.00 0.00 N ATOM 0 H ARG A 102 -2.212 0.956 -11.361 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.831 1.762 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.006 2.603 -8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.461 3.171 -9.999 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.617 1.234 -11.078 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.201 0.727 -9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.476 2.781 -9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.751 3.484 -10.665 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.951 1.553 -10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.353 2.946 -12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.127 2.540 -14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.939 1.035 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.148 1.464 -14.067 1.00 0.00 H new ATOM 1571 N MET A 103 -3.156 -0.270 -7.681 1.00 0.00 N ATOM 1572 CA MET A 103 -3.566 -1.586 -7.206 1.00 0.00 C ATOM 1573 C MET A 103 -4.524 -1.464 -6.026 1.00 0.00 C ATOM 1574 O MET A 103 -4.297 -0.675 -5.108 1.00 0.00 O ATOM 1575 CB MET A 103 -2.341 -2.409 -6.800 1.00 0.00 C ATOM 1576 CG MET A 103 -1.737 -1.985 -5.472 1.00 0.00 C ATOM 1577 SD MET A 103 -0.091 -2.673 -5.207 1.00 0.00 S ATOM 1578 CE MET A 103 -0.342 -4.365 -5.736 1.00 0.00 C ATOM 0 H MET A 103 -3.087 0.439 -6.951 1.00 0.00 H new ATOM 0 HA MET A 103 -4.083 -2.094 -8.020 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.623 -3.460 -6.742 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.583 -2.324 -7.578 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.683 -0.897 -5.433 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.394 -2.301 -4.661 1.00 0.00 H new ATOM 0 HE1 MET A 103 0.247 -5.034 -5.108 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.398 -4.621 -5.648 1.00 0.00 H new ATOM 0 HE3 MET A 103 -0.028 -4.472 -6.774 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.596 -2.249 -6.056 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.590 -2.226 -4.990 1.00 0.00 C ATOM 1590 C TYR A 104 -6.118 -3.037 -3.787 1.00 0.00 C ATOM 1591 O TYR A 104 -5.557 -4.123 -3.938 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.925 -2.776 -5.497 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.521 -1.969 -6.629 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.753 -0.606 -6.489 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.853 -2.570 -7.837 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -9.298 0.135 -7.520 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.397 -1.836 -8.873 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.617 -0.485 -8.710 1.00 0.00 C ATOM 1599 OH TYR A 104 -10.160 0.249 -9.740 1.00 0.00 O ATOM 0 H TYR A 104 -5.798 -2.909 -6.807 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.726 -1.191 -4.677 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.782 -3.804 -5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.634 -2.805 -4.670 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.503 -0.118 -5.559 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.683 -3.628 -7.968 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.473 1.193 -7.395 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.649 -2.318 -9.806 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.325 -0.337 -10.508 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.350 -2.502 -2.594 1.00 0.00 N ATOM 1610 CA CYS A 105 -5.948 -3.175 -1.363 1.00 0.00 C ATOM 1611 C CYS A 105 -7.152 -3.806 -0.671 1.00 0.00 C ATOM 1612 O CYS A 105 -7.925 -3.122 -0.001 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.261 -2.188 -0.418 1.00 0.00 C ATOM 1614 SG CYS A 105 -4.839 -2.883 1.196 1.00 0.00 S ATOM 0 H CYS A 105 -6.814 -1.605 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.245 -3.966 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.351 -1.821 -0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.914 -1.327 -0.272 1.00 0.00 H new ATOM 0 HG CYS A 105 -4.261 -1.973 1.923 1.00 0.00 H new ATOM 1620 N SER A 106 -7.305 -5.116 -0.840 1.00 0.00 N ATOM 1621 CA SER A 106 -8.418 -5.839 -0.236 1.00 0.00 C ATOM 1622 C SER A 106 -7.944 -6.672 0.952 1.00 0.00 C ATOM 1623 O SER A 106 -6.808 -7.146 0.978 1.00 0.00 O ATOM 1624 CB SER A 106 -9.088 -6.743 -1.272 1.00 0.00 C ATOM 1625 OG SER A 106 -8.265 -6.909 -2.413 1.00 0.00 O ATOM 0 H SER A 106 -6.673 -5.698 -1.390 1.00 0.00 H new ATOM 0 HA SER A 106 -9.143 -5.108 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.299 -7.716 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.045 -6.314 -1.569 1.00 0.00 H new ATOM 0 HG SER A 106 -8.811 -7.207 -3.170 1.00 0.00 H new ATOM 1631 N PHE A 107 -8.824 -6.846 1.933 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.497 -7.620 3.124 1.00 0.00 C ATOM 1633 C PHE A 107 -8.847 -9.092 2.929 1.00 0.00 C ATOM 1634 O PHE A 107 -8.620 -9.918 3.814 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.240 -7.063 4.340 1.00 0.00 C ATOM 1636 CG PHE A 107 -10.730 -7.241 4.265 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -11.328 -8.393 4.749 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -11.532 -6.257 3.710 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -12.699 -8.560 4.680 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -12.903 -6.417 3.639 1.00 0.00 C ATOM 1641 CZ PHE A 107 -13.487 -7.570 4.125 1.00 0.00 C ATOM 0 H PHE A 107 -9.769 -6.461 1.926 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.424 -7.540 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.868 -7.554 5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.013 -6.001 4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -10.717 -9.169 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.080 -5.353 3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.153 -9.463 5.060 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -13.516 -5.642 3.204 1.00 0.00 H new ATOM 0 HZ PHE A 107 -14.558 -7.698 4.071 1.00 0.00 H new ATOM 1651 N TYR A 108 -9.403 -9.413 1.766 1.00 0.00 N ATOM 1652 CA TYR A 108 -9.788 -10.784 1.456 1.00 0.00 C ATOM 1653 C TYR A 108 -8.930 -11.349 0.328 1.00 0.00 C ATOM 1654 O TYR A 108 -8.385 -10.617 -0.498 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.266 -10.845 1.065 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.580 -10.131 -0.231 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.689 -8.747 -0.276 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.767 -10.842 -1.410 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -11.977 -8.092 -1.458 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.053 -10.195 -2.596 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.157 -8.820 -2.615 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.443 -8.171 -3.794 1.00 0.00 O ATOM 0 H TYR A 108 -9.597 -8.742 1.023 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.629 -11.389 2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.567 -11.889 0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.863 -10.407 1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.546 -8.173 0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.687 -11.919 -1.399 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.061 -7.015 -1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.194 -10.763 -3.504 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.539 -8.828 -4.514 1.00 0.00 H new ATOM 1672 N PRO A 109 -8.806 -12.684 0.293 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.016 -13.379 -0.728 1.00 0.00 C ATOM 1674 C PRO A 109 -8.659 -13.304 -2.109 1.00 0.00 C ATOM 1675 O PRO A 109 -9.816 -12.913 -2.261 1.00 0.00 O ATOM 1676 CB PRO A 109 -7.987 -14.826 -0.230 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.211 -14.963 0.608 1.00 0.00 C ATOM 1678 CD PRO A 109 -9.428 -13.618 1.246 1.00 0.00 C ATOM 0 HA PRO A 109 -7.028 -12.936 -0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.995 -15.531 -1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.086 -15.027 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.070 -15.250 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.082 -15.737 1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.488 -13.405 1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.961 -13.559 2.229 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.893 -13.687 -3.141 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.368 -13.672 -4.528 1.00 0.00 C ATOM 1688 C PRO A 110 -9.425 -14.740 -4.790 1.00 0.00 C ATOM 1689 O PRO A 110 -10.474 -14.459 -5.370 1.00 0.00 O ATOM 1690 CB PRO A 110 -7.103 -13.963 -5.339 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.217 -14.712 -4.405 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.504 -14.164 -3.034 1.00 0.00 C ATOM 0 HA PRO A 110 -8.848 -12.727 -4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.329 -14.552 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.630 -13.042 -5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.420 -15.782 -4.448 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.168 -14.576 -4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.400 -14.930 -2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.821 -13.356 -2.773 1.00 0.00 H new ATOM 1700 N ASP A 111 -9.142 -15.964 -4.358 1.00 0.00 N ATOM 1701 CA ASP A 111 -10.070 -17.073 -4.545 1.00 0.00 C ATOM 1702 C ASP A 111 -9.504 -18.361 -3.954 1.00 0.00 C ATOM 1703 O ASP A 111 -10.245 -19.197 -3.439 1.00 0.00 O ATOM 1704 CB ASP A 111 -10.372 -17.269 -6.031 1.00 0.00 C ATOM 1705 CG ASP A 111 -11.825 -16.997 -6.367 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -12.443 -16.152 -5.686 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -12.345 -17.628 -7.312 1.00 0.00 O ATOM 0 H ASP A 111 -8.278 -16.213 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.996 -16.831 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.736 -16.607 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -10.121 -18.290 -6.318 1.00 0.00 H new ATOM 1712 N GLU A 112 -8.185 -18.512 -4.034 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.520 -19.699 -3.509 1.00 0.00 C ATOM 1714 C GLU A 112 -7.933 -19.959 -2.063 1.00 0.00 C ATOM 1715 O GLU A 112 -8.404 -21.044 -1.727 1.00 0.00 O ATOM 1716 CB GLU A 112 -6.001 -19.541 -3.597 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.325 -20.615 -4.433 1.00 0.00 C ATOM 1718 CD GLU A 112 -3.836 -20.377 -4.594 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -3.176 -20.041 -3.589 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -3.331 -20.528 -5.726 1.00 0.00 O ATOM 0 H GLU A 112 -7.557 -17.828 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.824 -20.553 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.770 -18.564 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.583 -19.559 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.486 -21.587 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.792 -20.652 -5.417 1.00 0.00 H new TER 1727 GLU A 112