USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 714 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 82 MET CE :methyl 171:sc= -1.89 (180deg=-1.12) USER MOD Set 1.2: A 96 MET CE :methyl 179:sc= -0.604 (180deg=-0.0431) USER MOD Set 2.1: A 63 CYS SG : rot 180:sc= 0.868 USER MOD Set 2.2: A 90 CYS SG : rot -20:sc= 1.03 USER MOD Set 3.1: A 75 ASN : amide:sc= -0.458 K(o=-0.68,f=-4.7!) USER MOD Set 3.2: A 78 SER OG : rot 180:sc= -0.224 USER MOD Set 4.1: A 32 THR OG1 : rot -53:sc= 2.14 USER MOD Set 4.2: A 50 THR OG1 : rot -17:sc= 1.16 USER MOD Single : A 26 GLN : amide:sc= -3.91! K(o=-3.9!,f=-0.089) USER MOD Single : A 33 TYR OH : rot 130:sc= -0.0765 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.667 K(o=0.67,f=-4.4!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 165:sc= 0 (180deg=-0.0369) USER MOD Single : A 46 THR OG1 : rot -125:sc= 0.938 USER MOD Single : A 52 ASN : amide:sc= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.961 K(o=-0.96,f=-4.1!) USER MOD Single : A 65 THR OG1 : rot 140:sc= 1.36 USER MOD Single : A 68 GLN : amide:sc= -1.7! X(o=-1.7!,f=-1.3) USER MOD Single : A 71 SER OG : rot 40:sc= 1.27 USER MOD Single : A 72 MET CE :methyl -173:sc= -0.313 (180deg=-0.376) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 83 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.32) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.908 K(o=-0.91,f=-0.23) USER MOD Single : A 108 GLN : amide:sc= -0.365 K(o=-0.37,f=-3.1!) USER MOD Single : A 109 GLN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.845 K(o=0.85,f=-3.7!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 120 MET CE :methyl -177:sc= 0 (180deg=-0.0162) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N GLN A 26 -8.056 -13.295 -11.861 1.00 0.00 N ATOM 9 CA GLN A 26 -7.730 -13.228 -10.444 1.00 0.00 C ATOM 10 C GLN A 26 -7.269 -14.605 -9.966 1.00 0.00 C ATOM 11 O GLN A 26 -7.514 -15.607 -10.649 1.00 0.00 O ATOM 12 CB GLN A 26 -8.963 -12.695 -9.685 1.00 0.00 C ATOM 13 CG GLN A 26 -9.882 -13.736 -9.024 1.00 0.00 C ATOM 14 CD GLN A 26 -9.500 -14.156 -7.598 1.00 0.00 C ATOM 15 OE1 GLN A 26 -9.807 -15.253 -7.152 1.00 0.00 O ATOM 16 NE2 GLN A 26 -8.826 -13.319 -6.831 1.00 0.00 N ATOM 0 HA GLN A 26 -6.906 -12.541 -10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.614 -12.011 -8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.562 -12.109 -10.382 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.896 -13.337 -9.006 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.901 -14.627 -9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.562 -12.400 -7.187 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.569 -13.591 -5.882 1.00 0.00 H new ATOM 25 N GLU A 27 -6.639 -14.673 -8.795 1.00 0.00 N ATOM 26 CA GLU A 27 -5.974 -15.883 -8.324 1.00 0.00 C ATOM 27 C GLU A 27 -5.769 -15.943 -6.802 1.00 0.00 C ATOM 28 O GLU A 27 -5.004 -16.783 -6.327 1.00 0.00 O ATOM 29 CB GLU A 27 -4.661 -16.064 -9.123 1.00 0.00 C ATOM 30 CG GLU A 27 -3.751 -14.827 -9.065 1.00 0.00 C ATOM 31 CD GLU A 27 -2.483 -15.004 -9.899 1.00 0.00 C ATOM 32 OE1 GLU A 27 -2.557 -14.900 -11.148 1.00 0.00 O ATOM 33 OE2 GLU A 27 -1.431 -15.331 -9.304 1.00 0.00 O ATOM 0 H GLU A 27 -6.576 -13.889 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.635 -16.729 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.120 -16.926 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.902 -16.283 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.301 -13.956 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.478 -14.627 -8.029 1.00 0.00 H new ATOM 41 N LEU A 28 -6.450 -15.091 -6.029 1.00 0.00 N ATOM 42 CA LEU A 28 -6.498 -15.151 -4.563 1.00 0.00 C ATOM 43 C LEU A 28 -7.788 -14.544 -3.979 1.00 0.00 C ATOM 44 O LEU A 28 -8.049 -13.366 -4.220 1.00 0.00 O ATOM 45 CB LEU A 28 -5.318 -14.414 -3.898 1.00 0.00 C ATOM 46 CG LEU A 28 -3.942 -15.106 -3.866 1.00 0.00 C ATOM 47 CD1 LEU A 28 -2.975 -14.207 -3.082 1.00 0.00 C ATOM 48 CD2 LEU A 28 -3.979 -16.479 -3.179 1.00 0.00 C ATOM 0 H LEU A 28 -6.997 -14.321 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.452 -16.218 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.196 -13.458 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.602 -14.194 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.625 -15.261 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.992 -14.676 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.897 -13.239 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.349 -14.068 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.981 -16.917 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.315 -16.361 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.667 -17.134 -3.713 1.00 0.00 H new ATOM 60 N PRO A 29 -8.572 -15.268 -3.161 1.00 0.00 N ATOM 61 CA PRO A 29 -9.741 -14.718 -2.462 1.00 0.00 C ATOM 62 C PRO A 29 -9.310 -13.728 -1.354 1.00 0.00 C ATOM 63 O PRO A 29 -8.145 -13.766 -0.962 1.00 0.00 O ATOM 64 CB PRO A 29 -10.459 -15.948 -1.892 1.00 0.00 C ATOM 65 CG PRO A 29 -9.306 -16.905 -1.602 1.00 0.00 C ATOM 66 CD PRO A 29 -8.324 -16.635 -2.737 1.00 0.00 C ATOM 0 HA PRO A 29 -10.392 -14.142 -3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.022 -15.707 -0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.166 -16.371 -2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.857 -16.709 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.638 -17.943 -1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.295 -16.759 -2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.477 -17.333 -3.560 1.00 0.00 H new ATOM 74 N PRO A 30 -10.204 -12.856 -0.840 1.00 0.00 N ATOM 75 CA PRO A 30 -9.905 -11.773 0.118 1.00 0.00 C ATOM 76 C PRO A 30 -9.639 -12.260 1.561 1.00 0.00 C ATOM 77 O PRO A 30 -9.711 -13.465 1.809 1.00 0.00 O ATOM 78 CB PRO A 30 -11.112 -10.845 0.041 1.00 0.00 C ATOM 79 CG PRO A 30 -12.250 -11.820 -0.238 1.00 0.00 C ATOM 80 CD PRO A 30 -11.604 -12.788 -1.220 1.00 0.00 C ATOM 0 HA PRO A 30 -8.973 -11.274 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.264 -10.297 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.006 -10.105 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.588 -12.323 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.118 -11.321 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.072 -13.771 -1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.715 -12.437 -2.246 1.00 0.00 H new ATOM 88 N GLY A 31 -9.359 -11.356 2.524 1.00 0.00 N ATOM 89 CA GLY A 31 -9.025 -11.748 3.903 1.00 0.00 C ATOM 90 C GLY A 31 -8.190 -10.700 4.654 1.00 0.00 C ATOM 91 O GLY A 31 -8.375 -9.495 4.455 1.00 0.00 O ATOM 0 H GLY A 31 -9.359 -10.348 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.948 -11.928 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.477 -12.690 3.882 1.00 0.00 H new ATOM 95 N THR A 32 -7.281 -11.143 5.533 1.00 0.00 N ATOM 96 CA THR A 32 -6.196 -10.340 6.104 1.00 0.00 C ATOM 97 C THR A 32 -4.913 -11.183 6.129 1.00 0.00 C ATOM 98 O THR A 32 -5.002 -12.386 6.397 1.00 0.00 O ATOM 99 CB THR A 32 -6.620 -9.748 7.468 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.815 -8.647 7.804 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.584 -10.690 8.676 1.00 0.00 C ATOM 0 H THR A 32 -7.283 -12.103 5.877 1.00 0.00 H new ATOM 0 HA THR A 32 -5.978 -9.470 5.484 1.00 0.00 H new ATOM 0 HB THR A 32 -7.665 -9.491 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.871 -8.906 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.904 -10.151 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.254 -11.532 8.501 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.568 -11.059 8.820 1.00 0.00 H new ATOM 109 N TYR A 33 -3.762 -10.591 5.767 1.00 0.00 N ATOM 110 CA TYR A 33 -2.449 -11.235 5.806 1.00 0.00 C ATOM 111 C TYR A 33 -1.439 -10.349 6.532 1.00 0.00 C ATOM 112 O TYR A 33 -1.367 -9.136 6.310 1.00 0.00 O ATOM 113 CB TYR A 33 -1.920 -11.698 4.432 1.00 0.00 C ATOM 114 CG TYR A 33 -2.320 -10.938 3.174 1.00 0.00 C ATOM 115 CD1 TYR A 33 -2.159 -9.541 3.046 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.850 -11.667 2.092 1.00 0.00 C ATOM 117 CE1 TYR A 33 -2.644 -8.871 1.906 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.280 -11.009 0.924 1.00 0.00 C ATOM 119 CZ TYR A 33 -3.197 -9.600 0.831 1.00 0.00 C ATOM 120 OH TYR A 33 -3.578 -8.932 -0.291 1.00 0.00 O ATOM 0 H TYR A 33 -3.724 -9.628 5.432 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.585 -12.157 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.831 -11.692 4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.227 -12.735 4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.662 -8.984 3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.927 -12.742 2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.593 -7.793 1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.674 -11.581 0.097 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.196 -9.372 -1.079 1.00 0.00 H new ATOM 130 N ARG A 34 -0.637 -10.958 7.405 1.00 0.00 N ATOM 131 CA ARG A 34 0.350 -10.282 8.234 1.00 0.00 C ATOM 132 C ARG A 34 1.659 -10.234 7.473 1.00 0.00 C ATOM 133 O ARG A 34 2.281 -11.280 7.308 1.00 0.00 O ATOM 134 CB ARG A 34 0.452 -11.005 9.588 1.00 0.00 C ATOM 135 CG ARG A 34 1.121 -10.189 10.700 1.00 0.00 C ATOM 136 CD ARG A 34 2.609 -9.868 10.475 1.00 0.00 C ATOM 137 NE ARG A 34 3.342 -9.896 11.752 1.00 0.00 N ATOM 138 CZ ARG A 34 3.700 -11.027 12.373 1.00 0.00 C ATOM 139 NH1 ARG A 34 3.787 -12.173 11.705 1.00 0.00 N ATOM 140 NH2 ARG A 34 3.948 -11.021 13.676 1.00 0.00 N ATOM 0 H ARG A 34 -0.660 -11.966 7.556 1.00 0.00 H new ATOM 0 HA ARG A 34 0.063 -9.254 8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.551 -11.283 9.913 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.010 -11.931 9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.578 -9.251 10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.022 -10.734 11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.043 -10.591 9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.709 -8.886 10.013 1.00 0.00 H new ATOM 0 HE ARG A 34 3.590 -9.007 12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.580 -12.198 10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.061 -13.027 12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.866 -10.154 14.207 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.221 -11.884 14.147 1.00 0.00 H new ATOM 154 N VAL A 35 2.066 -9.058 6.995 1.00 0.00 N ATOM 155 CA VAL A 35 3.259 -8.913 6.166 1.00 0.00 C ATOM 156 C VAL A 35 3.962 -7.596 6.445 1.00 0.00 C ATOM 157 O VAL A 35 3.410 -6.732 7.135 1.00 0.00 O ATOM 158 CB VAL A 35 2.867 -9.046 4.681 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.398 -10.459 4.324 1.00 0.00 C ATOM 160 CG2 VAL A 35 1.777 -8.053 4.263 1.00 0.00 C ATOM 0 H VAL A 35 1.577 -8.181 7.172 1.00 0.00 H new ATOM 0 HA VAL A 35 3.966 -9.705 6.412 1.00 0.00 H new ATOM 0 HB VAL A 35 3.782 -8.820 4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.134 -10.499 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.199 -11.170 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.526 -10.716 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.542 -8.193 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.881 -8.224 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.131 -7.035 4.423 1.00 0.00 H new ATOM 170 N ASP A 36 5.170 -7.459 5.895 1.00 0.00 N ATOM 171 CA ASP A 36 5.997 -6.273 6.037 1.00 0.00 C ATOM 172 C ASP A 36 5.721 -5.417 4.817 1.00 0.00 C ATOM 173 O ASP A 36 5.914 -5.860 3.686 1.00 0.00 O ATOM 174 CB ASP A 36 7.511 -6.535 6.154 1.00 0.00 C ATOM 175 CG ASP A 36 7.950 -7.834 6.821 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.685 -8.015 8.037 1.00 0.00 O ATOM 177 OD2 ASP A 36 8.531 -8.694 6.133 1.00 0.00 O ATOM 0 H ASP A 36 5.604 -8.188 5.328 1.00 0.00 H new ATOM 0 HA ASP A 36 5.734 -5.792 6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.935 -6.512 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.954 -5.706 6.706 1.00 0.00 H new ATOM 183 N ILE A 37 5.216 -4.215 5.041 1.00 0.00 N ATOM 184 CA ILE A 37 5.013 -3.184 4.048 1.00 0.00 C ATOM 185 C ILE A 37 6.407 -2.703 3.643 1.00 0.00 C ATOM 186 O ILE A 37 7.056 -2.001 4.420 1.00 0.00 O ATOM 187 CB ILE A 37 4.117 -2.081 4.677 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.702 -2.618 5.036 1.00 0.00 C ATOM 189 CG2 ILE A 37 3.989 -0.844 3.762 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.528 -3.146 6.472 1.00 0.00 C ATOM 0 H ILE A 37 4.922 -3.921 5.972 1.00 0.00 H new ATOM 0 HA ILE A 37 4.496 -3.522 3.150 1.00 0.00 H new ATOM 0 HB ILE A 37 4.616 -1.776 5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.979 -1.819 4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.452 -3.420 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.354 -0.100 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.977 -0.418 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.546 -1.139 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.504 -3.494 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.218 -3.972 6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.738 -2.346 7.182 1.00 0.00 H new ATOM 202 N TYR A 38 6.871 -3.082 2.451 1.00 0.00 N ATOM 203 CA TYR A 38 8.113 -2.602 1.860 1.00 0.00 C ATOM 204 C TYR A 38 7.705 -1.615 0.789 1.00 0.00 C ATOM 205 O TYR A 38 7.307 -2.034 -0.293 1.00 0.00 O ATOM 206 CB TYR A 38 8.962 -3.731 1.252 1.00 0.00 C ATOM 207 CG TYR A 38 9.962 -4.315 2.223 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.558 -5.240 3.198 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.306 -3.908 2.164 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.492 -5.746 4.121 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.238 -4.380 3.100 1.00 0.00 C ATOM 212 CZ TYR A 38 11.829 -5.292 4.096 1.00 0.00 C ATOM 213 OH TYR A 38 12.694 -5.667 5.074 1.00 0.00 O ATOM 0 H TYR A 38 6.377 -3.749 1.858 1.00 0.00 H new ATOM 0 HA TYR A 38 8.741 -2.150 2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.302 -4.524 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.493 -3.348 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.529 -5.564 3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.624 -3.225 1.390 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.186 -6.482 4.849 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.264 -4.047 3.059 1.00 0.00 H new ATOM 0 HH TYR A 38 13.573 -5.267 4.905 1.00 0.00 H new ATOM 223 N LEU A 39 7.741 -0.320 1.096 1.00 0.00 N ATOM 224 CA LEU A 39 7.454 0.721 0.123 1.00 0.00 C ATOM 225 C LEU A 39 8.761 1.168 -0.497 1.00 0.00 C ATOM 226 O LEU A 39 9.694 1.579 0.198 1.00 0.00 O ATOM 227 CB LEU A 39 6.673 1.871 0.754 1.00 0.00 C ATOM 228 CG LEU A 39 6.421 3.026 -0.241 1.00 0.00 C ATOM 229 CD1 LEU A 39 4.995 3.579 -0.193 1.00 0.00 C ATOM 230 CD2 LEU A 39 7.349 4.210 0.023 1.00 0.00 C ATOM 0 H LEU A 39 7.970 0.032 2.025 1.00 0.00 H new ATOM 0 HA LEU A 39 6.811 0.332 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.718 1.498 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.222 2.250 1.616 1.00 0.00 H new ATOM 0 HG LEU A 39 6.607 2.578 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.893 4.386 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.288 2.784 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.786 3.961 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.142 5.002 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.183 4.585 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.386 3.889 -0.079 1.00 0.00 H new ATOM 242 N ASN A 40 8.797 1.106 -1.824 1.00 0.00 N ATOM 243 CA ASN A 40 9.946 1.423 -2.651 1.00 0.00 C ATOM 244 C ASN A 40 11.185 0.717 -2.116 1.00 0.00 C ATOM 245 O ASN A 40 12.226 1.326 -1.870 1.00 0.00 O ATOM 246 CB ASN A 40 10.122 2.940 -2.819 1.00 0.00 C ATOM 247 CG ASN A 40 9.054 3.558 -3.706 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.640 2.955 -4.700 1.00 0.00 O ATOM 249 ND2 ASN A 40 8.602 4.758 -3.386 1.00 0.00 N ATOM 0 H ASN A 40 7.987 0.820 -2.373 1.00 0.00 H new ATOM 0 HA ASN A 40 9.777 1.044 -3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.095 3.416 -1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.105 3.143 -3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.894 5.208 -3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.961 5.234 -2.559 1.00 0.00 H new ATOM 256 N ASN A 41 11.056 -0.598 -1.936 1.00 0.00 N ATOM 257 CA ASN A 41 12.092 -1.538 -1.537 1.00 0.00 C ATOM 258 C ASN A 41 12.635 -1.301 -0.125 1.00 0.00 C ATOM 259 O ASN A 41 13.702 -1.833 0.190 1.00 0.00 O ATOM 260 CB ASN A 41 13.236 -1.576 -2.557 1.00 0.00 C ATOM 261 CG ASN A 41 12.808 -1.865 -3.976 1.00 0.00 C ATOM 262 OD1 ASN A 41 12.489 -3.006 -4.295 1.00 0.00 O ATOM 263 ND2 ASN A 41 12.846 -0.877 -4.850 1.00 0.00 N ATOM 0 H ASN A 41 10.159 -1.062 -2.076 1.00 0.00 H new ATOM 0 HA ASN A 41 11.604 -2.512 -1.515 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.755 -0.617 -2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.955 -2.334 -2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.605 -1.050 -5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.116 0.060 -4.549 1.00 0.00 H new ATOM 270 N GLY A 42 11.932 -0.558 0.735 1.00 0.00 N ATOM 271 CA GLY A 42 12.351 -0.308 2.110 1.00 0.00 C ATOM 272 C GLY A 42 11.191 -0.580 3.045 1.00 0.00 C ATOM 273 O GLY A 42 10.064 -0.168 2.764 1.00 0.00 O ATOM 0 H GLY A 42 11.049 -0.111 0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.197 -0.946 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.686 0.724 2.218 1.00 0.00 H new ATOM 277 N TYR A 43 11.458 -1.289 4.139 1.00 0.00 N ATOM 278 CA TYR A 43 10.471 -1.609 5.157 1.00 0.00 C ATOM 279 C TYR A 43 9.921 -0.298 5.727 1.00 0.00 C ATOM 280 O TYR A 43 10.685 0.631 6.007 1.00 0.00 O ATOM 281 CB TYR A 43 11.135 -2.470 6.242 1.00 0.00 C ATOM 282 CG TYR A 43 10.530 -2.313 7.615 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.430 -3.099 7.997 1.00 0.00 C ATOM 284 CD2 TYR A 43 11.042 -1.336 8.490 1.00 0.00 C ATOM 285 CE1 TYR A 43 8.842 -2.908 9.255 1.00 0.00 C ATOM 286 CE2 TYR A 43 10.454 -1.137 9.746 1.00 0.00 C ATOM 287 CZ TYR A 43 9.344 -1.922 10.128 1.00 0.00 C ATOM 288 OH TYR A 43 8.749 -1.714 11.329 1.00 0.00 O ATOM 0 H TYR A 43 12.385 -1.662 4.343 1.00 0.00 H new ATOM 0 HA TYR A 43 9.640 -2.178 4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.072 -3.518 5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.194 -2.217 6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.039 -3.848 7.324 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.891 -0.738 8.192 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.003 -3.518 9.556 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.847 -0.388 10.418 1.00 0.00 H new ATOM 0 HH TYR A 43 9.220 -1.000 11.808 1.00 0.00 H new ATOM 298 N MET A 44 8.607 -0.231 5.929 1.00 0.00 N ATOM 299 CA MET A 44 7.926 0.879 6.582 1.00 0.00 C ATOM 300 C MET A 44 7.186 0.412 7.837 1.00 0.00 C ATOM 301 O MET A 44 7.253 1.086 8.864 1.00 0.00 O ATOM 302 CB MET A 44 6.953 1.537 5.597 1.00 0.00 C ATOM 303 CG MET A 44 7.688 2.222 4.445 1.00 0.00 C ATOM 304 SD MET A 44 8.671 3.657 4.941 1.00 0.00 S ATOM 305 CE MET A 44 9.516 3.945 3.373 1.00 0.00 C ATOM 0 H MET A 44 7.970 -0.971 5.633 1.00 0.00 H new ATOM 0 HA MET A 44 8.672 1.610 6.892 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.274 0.783 5.198 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.341 2.269 6.124 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.343 1.496 3.964 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.958 2.536 3.699 1.00 0.00 H new ATOM 0 HE1 MET A 44 9.967 4.937 3.380 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.294 3.194 3.235 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.798 3.878 2.555 1.00 0.00 H new ATOM 315 N ALA A 45 6.443 -0.697 7.769 1.00 0.00 N ATOM 316 CA ALA A 45 5.633 -1.218 8.867 1.00 0.00 C ATOM 317 C ALA A 45 5.433 -2.722 8.674 1.00 0.00 C ATOM 318 O ALA A 45 5.693 -3.232 7.588 1.00 0.00 O ATOM 319 CB ALA A 45 4.276 -0.487 8.885 1.00 0.00 C ATOM 0 H ALA A 45 6.389 -1.269 6.926 1.00 0.00 H new ATOM 0 HA ALA A 45 6.135 -1.050 9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.666 -0.872 9.703 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.440 0.581 9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.761 -0.653 7.939 1.00 0.00 H new ATOM 325 N THR A 46 4.902 -3.418 9.682 1.00 0.00 N ATOM 326 CA THR A 46 4.567 -4.839 9.620 1.00 0.00 C ATOM 327 C THR A 46 3.363 -5.053 10.522 1.00 0.00 C ATOM 328 O THR A 46 3.403 -4.715 11.711 1.00 0.00 O ATOM 329 CB THR A 46 5.743 -5.741 10.047 1.00 0.00 C ATOM 330 OG1 THR A 46 6.822 -5.598 9.158 1.00 0.00 O ATOM 331 CG2 THR A 46 5.357 -7.223 10.065 1.00 0.00 C ATOM 0 H THR A 46 4.688 -2.996 10.586 1.00 0.00 H new ATOM 0 HA THR A 46 4.342 -5.117 8.590 1.00 0.00 H new ATOM 0 HB THR A 46 6.020 -5.426 11.053 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.074 -6.477 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.217 -7.819 10.371 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.539 -7.377 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.040 -7.529 9.068 1.00 0.00 H new ATOM 339 N ARG A 47 2.262 -5.575 9.980 1.00 0.00 N ATOM 340 CA ARG A 47 1.038 -5.869 10.723 1.00 0.00 C ATOM 341 C ARG A 47 0.096 -6.647 9.829 1.00 0.00 C ATOM 342 O ARG A 47 0.461 -6.990 8.707 1.00 0.00 O ATOM 343 CB ARG A 47 0.381 -4.600 11.313 1.00 0.00 C ATOM 344 CG ARG A 47 0.361 -3.321 10.451 1.00 0.00 C ATOM 345 CD ARG A 47 -0.877 -3.099 9.592 1.00 0.00 C ATOM 346 NE ARG A 47 -2.166 -3.336 10.264 1.00 0.00 N ATOM 347 CZ ARG A 47 -3.010 -2.463 10.823 1.00 0.00 C ATOM 348 NH1 ARG A 47 -2.740 -1.166 10.926 1.00 0.00 N ATOM 349 NH2 ARG A 47 -4.158 -2.929 11.301 1.00 0.00 N ATOM 0 H ARG A 47 2.196 -5.810 8.990 1.00 0.00 H new ATOM 0 HA ARG A 47 1.291 -6.482 11.588 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.650 -4.846 11.567 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.892 -4.364 12.247 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.476 -2.462 11.112 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.232 -3.337 9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.863 -2.073 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.816 -3.752 8.721 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.458 -4.312 10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.857 -0.799 10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.415 -0.537 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.372 -3.924 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.826 -2.292 11.734 1.00 0.00 H new ATOM 363 N ASP A 48 -1.073 -6.981 10.361 1.00 0.00 N ATOM 364 CA ASP A 48 -2.123 -7.652 9.616 1.00 0.00 C ATOM 365 C ASP A 48 -2.765 -6.623 8.701 1.00 0.00 C ATOM 366 O ASP A 48 -3.347 -5.639 9.172 1.00 0.00 O ATOM 367 CB ASP A 48 -3.141 -8.354 10.526 1.00 0.00 C ATOM 368 CG ASP A 48 -3.551 -9.678 9.896 1.00 0.00 C ATOM 369 OD1 ASP A 48 -3.653 -9.725 8.654 1.00 0.00 O ATOM 370 OD2 ASP A 48 -3.728 -10.676 10.630 1.00 0.00 O ATOM 0 H ASP A 48 -1.318 -6.790 11.333 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.695 -8.458 9.021 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.707 -8.526 11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.016 -7.720 10.669 1.00 0.00 H new ATOM 376 N VAL A 49 -2.535 -6.777 7.405 1.00 0.00 N ATOM 377 CA VAL A 49 -2.994 -5.888 6.363 1.00 0.00 C ATOM 378 C VAL A 49 -4.242 -6.564 5.802 1.00 0.00 C ATOM 379 O VAL A 49 -4.143 -7.548 5.066 1.00 0.00 O ATOM 380 CB VAL A 49 -1.886 -5.657 5.314 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.223 -4.414 4.485 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.493 -5.456 5.930 1.00 0.00 C ATOM 0 H VAL A 49 -1.998 -7.564 7.041 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.234 -4.887 6.722 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.850 -6.558 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.442 -4.249 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.178 -4.561 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.290 -3.546 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.237 -5.299 5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.508 -4.586 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.219 -6.340 6.505 1.00 0.00 H new ATOM 392 N THR A 50 -5.422 -6.107 6.212 1.00 0.00 N ATOM 393 CA THR A 50 -6.676 -6.614 5.666 1.00 0.00 C ATOM 394 C THR A 50 -6.758 -6.194 4.205 1.00 0.00 C ATOM 395 O THR A 50 -6.322 -5.097 3.872 1.00 0.00 O ATOM 396 CB THR A 50 -7.819 -6.104 6.550 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.559 -6.510 7.883 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.189 -6.652 6.154 1.00 0.00 C ATOM 0 H THR A 50 -5.535 -5.384 6.923 1.00 0.00 H new ATOM 0 HA THR A 50 -6.744 -7.702 5.676 1.00 0.00 H new ATOM 0 HB THR A 50 -7.855 -5.021 6.434 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.893 -7.229 7.882 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.949 -6.249 6.823 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.415 -6.360 5.129 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.181 -7.739 6.228 1.00 0.00 H new ATOM 406 N PHE A 51 -7.264 -7.047 3.317 1.00 0.00 N ATOM 407 CA PHE A 51 -7.348 -6.800 1.907 1.00 0.00 C ATOM 408 C PHE A 51 -8.742 -7.199 1.446 1.00 0.00 C ATOM 409 O PHE A 51 -9.412 -8.038 2.063 1.00 0.00 O ATOM 410 CB PHE A 51 -6.256 -7.618 1.224 1.00 0.00 C ATOM 411 CG PHE A 51 -6.296 -9.094 1.553 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.654 -9.601 2.694 1.00 0.00 C ATOM 413 CD2 PHE A 51 -6.907 -9.978 0.664 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.582 -10.988 2.896 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.740 -11.362 0.829 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.081 -11.878 1.948 1.00 0.00 C ATOM 0 H PHE A 51 -7.636 -7.958 3.585 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.195 -5.751 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.345 -7.494 0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.283 -7.218 1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.217 -8.926 3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.507 -9.599 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.133 -11.371 3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.126 -12.038 0.080 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.961 -12.944 2.075 1.00 0.00 H new ATOM 426 N ASN A 52 -9.195 -6.562 0.374 1.00 0.00 N ATOM 427 CA ASN A 52 -10.561 -6.677 -0.111 1.00 0.00 C ATOM 428 C ASN A 52 -10.505 -6.968 -1.604 1.00 0.00 C ATOM 429 O ASN A 52 -9.446 -6.866 -2.232 1.00 0.00 O ATOM 430 CB ASN A 52 -11.390 -5.424 0.231 1.00 0.00 C ATOM 431 CG ASN A 52 -11.685 -5.247 1.722 1.00 0.00 C ATOM 432 OD1 ASN A 52 -12.819 -5.377 2.170 1.00 0.00 O ATOM 433 ND2 ASN A 52 -10.685 -4.942 2.535 1.00 0.00 N ATOM 0 H ASN A 52 -8.614 -5.942 -0.190 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.075 -7.499 0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.859 -4.543 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.335 -5.470 -0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.859 -4.816 3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.741 -4.834 2.164 1.00 0.00 H new ATOM 440 N THR A 53 -11.627 -7.410 -2.157 1.00 0.00 N ATOM 441 CA THR A 53 -11.685 -8.020 -3.473 1.00 0.00 C ATOM 442 C THR A 53 -11.667 -6.929 -4.545 1.00 0.00 C ATOM 443 O THR A 53 -12.587 -6.105 -4.606 1.00 0.00 O ATOM 444 CB THR A 53 -12.925 -8.920 -3.580 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.194 -9.607 -2.373 1.00 0.00 O ATOM 446 CG2 THR A 53 -12.650 -10.020 -4.599 1.00 0.00 C ATOM 0 H THR A 53 -12.534 -7.353 -1.695 1.00 0.00 H new ATOM 0 HA THR A 53 -10.812 -8.653 -3.630 1.00 0.00 H new ATOM 0 HB THR A 53 -13.759 -8.270 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.991 -10.166 -2.485 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.525 -10.665 -4.683 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.435 -9.572 -5.569 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.793 -10.611 -4.275 1.00 0.00 H new ATOM 454 N GLY A 54 -10.618 -6.905 -5.368 1.00 0.00 N ATOM 455 CA GLY A 54 -10.383 -5.853 -6.337 1.00 0.00 C ATOM 456 C GLY A 54 -9.679 -6.404 -7.565 1.00 0.00 C ATOM 457 O GLY A 54 -10.053 -7.460 -8.086 1.00 0.00 O ATOM 0 H GLY A 54 -9.901 -7.631 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.331 -5.400 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.778 -5.066 -5.887 1.00 0.00 H new ATOM 461 N ASP A 55 -8.692 -5.654 -8.051 1.00 0.00 N ATOM 462 CA ASP A 55 -8.173 -5.736 -9.409 1.00 0.00 C ATOM 463 C ASP A 55 -6.669 -5.462 -9.408 1.00 0.00 C ATOM 464 O ASP A 55 -6.214 -4.342 -9.640 1.00 0.00 O ATOM 465 CB ASP A 55 -8.926 -4.762 -10.339 1.00 0.00 C ATOM 466 CG ASP A 55 -9.387 -3.452 -9.681 1.00 0.00 C ATOM 467 OD1 ASP A 55 -8.593 -2.751 -9.015 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.602 -3.151 -9.765 1.00 0.00 O ATOM 0 H ASP A 55 -8.217 -4.949 -7.488 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.335 -6.743 -9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.280 -4.518 -11.183 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.799 -5.273 -10.744 1.00 0.00 H new ATOM 474 N SER A 56 -5.878 -6.500 -9.161 1.00 0.00 N ATOM 475 CA SER A 56 -4.430 -6.497 -9.304 1.00 0.00 C ATOM 476 C SER A 56 -3.998 -7.905 -9.735 1.00 0.00 C ATOM 477 O SER A 56 -4.865 -8.750 -9.993 1.00 0.00 O ATOM 478 CB SER A 56 -3.781 -6.062 -7.973 1.00 0.00 C ATOM 479 OG SER A 56 -3.322 -4.729 -8.056 1.00 0.00 O ATOM 0 H SER A 56 -6.242 -7.398 -8.844 1.00 0.00 H new ATOM 0 HA SER A 56 -4.103 -5.786 -10.062 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.504 -6.153 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.949 -6.725 -7.734 1.00 0.00 H new ATOM 0 HG SER A 56 -2.915 -4.469 -7.203 1.00 0.00 H new ATOM 485 N GLU A 57 -2.682 -8.148 -9.780 1.00 0.00 N ATOM 486 CA GLU A 57 -2.035 -9.421 -10.093 1.00 0.00 C ATOM 487 C GLU A 57 -2.788 -10.587 -9.465 1.00 0.00 C ATOM 488 O GLU A 57 -3.210 -11.498 -10.175 1.00 0.00 O ATOM 489 CB GLU A 57 -0.593 -9.414 -9.553 1.00 0.00 C ATOM 490 CG GLU A 57 0.367 -8.539 -10.364 1.00 0.00 C ATOM 491 CD GLU A 57 0.830 -9.262 -11.628 1.00 0.00 C ATOM 492 OE1 GLU A 57 0.287 -8.977 -12.727 1.00 0.00 O ATOM 493 OE2 GLU A 57 1.746 -10.111 -11.518 1.00 0.00 O ATOM 0 H GLU A 57 -2.002 -7.413 -9.586 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.035 -9.543 -11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.603 -9.065 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.215 -10.436 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.126 -7.605 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.231 -8.277 -9.753 1.00 0.00 H new ATOM 501 N GLN A 58 -2.979 -10.550 -8.145 1.00 0.00 N ATOM 502 CA GLN A 58 -3.590 -11.659 -7.430 1.00 0.00 C ATOM 503 C GLN A 58 -5.113 -11.499 -7.311 1.00 0.00 C ATOM 504 O GLN A 58 -5.820 -12.487 -7.137 1.00 0.00 O ATOM 505 CB GLN A 58 -2.904 -11.933 -6.079 1.00 0.00 C ATOM 506 CG GLN A 58 -1.406 -11.559 -5.989 1.00 0.00 C ATOM 507 CD GLN A 58 -1.257 -10.156 -5.410 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.403 -9.149 -6.095 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.111 -10.041 -4.104 1.00 0.00 N ATOM 0 H GLN A 58 -2.717 -9.761 -7.554 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.427 -12.553 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.441 -11.386 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.007 -12.994 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.879 -12.279 -5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.951 -11.604 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.989 -10.875 -3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.120 -9.118 -3.669 1.00 0.00 H new ATOM 518 N GLY A 59 -5.650 -10.282 -7.439 1.00 0.00 N ATOM 519 CA GLY A 59 -7.082 -10.009 -7.431 1.00 0.00 C ATOM 520 C GLY A 59 -7.589 -9.323 -6.157 1.00 0.00 C ATOM 521 O GLY A 59 -8.800 -9.200 -5.964 1.00 0.00 O ATOM 0 H GLY A 59 -5.083 -9.442 -7.554 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.325 -9.381 -8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.619 -10.948 -7.562 1.00 0.00 H new ATOM 525 N ILE A 60 -6.690 -8.918 -5.265 1.00 0.00 N ATOM 526 CA ILE A 60 -6.975 -8.444 -3.913 1.00 0.00 C ATOM 527 C ILE A 60 -6.064 -7.275 -3.576 1.00 0.00 C ATOM 528 O ILE A 60 -4.863 -7.309 -3.879 1.00 0.00 O ATOM 529 CB ILE A 60 -6.773 -9.578 -2.883 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.576 -10.489 -3.247 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.079 -10.385 -2.802 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.200 -11.398 -2.089 1.00 0.00 C ATOM 0 H ILE A 60 -5.692 -8.911 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.015 -8.119 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.536 -9.144 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.828 -11.093 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.719 -9.874 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.963 -11.194 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.892 -9.731 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.309 -10.804 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.356 -12.025 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.924 -10.792 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.050 -12.030 -1.832 1.00 0.00 H new ATOM 544 N VAL A 61 -6.621 -6.260 -2.917 1.00 0.00 N ATOM 545 CA VAL A 61 -5.893 -5.029 -2.650 1.00 0.00 C ATOM 546 C VAL A 61 -5.835 -4.777 -1.140 1.00 0.00 C ATOM 547 O VAL A 61 -6.880 -4.860 -0.489 1.00 0.00 O ATOM 548 CB VAL A 61 -6.434 -3.855 -3.499 1.00 0.00 C ATOM 549 CG1 VAL A 61 -6.692 -4.284 -4.957 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.729 -3.225 -2.972 1.00 0.00 C ATOM 0 H VAL A 61 -7.576 -6.270 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.857 -5.128 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.644 -3.107 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.071 -3.434 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.761 -4.632 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.426 -5.089 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.032 -2.411 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.515 -3.980 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.562 -2.836 -1.968 1.00 0.00 H new ATOM 560 N PRO A 62 -4.647 -4.554 -0.543 1.00 0.00 N ATOM 561 CA PRO A 62 -4.518 -4.296 0.888 1.00 0.00 C ATOM 562 C PRO A 62 -5.197 -2.975 1.267 1.00 0.00 C ATOM 563 O PRO A 62 -5.319 -2.060 0.458 1.00 0.00 O ATOM 564 CB PRO A 62 -3.015 -4.266 1.186 1.00 0.00 C ATOM 565 CG PRO A 62 -2.317 -4.605 -0.124 1.00 0.00 C ATOM 566 CD PRO A 62 -3.360 -4.376 -1.201 1.00 0.00 C ATOM 0 HA PRO A 62 -5.011 -5.068 1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.709 -3.284 1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.757 -4.986 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.444 -3.972 -0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.967 -5.637 -0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.272 -3.376 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.238 -5.083 -2.022 1.00 0.00 H new ATOM 574 N CYS A 63 -5.599 -2.852 2.528 1.00 0.00 N ATOM 575 CA CYS A 63 -6.143 -1.650 3.130 1.00 0.00 C ATOM 576 C CYS A 63 -4.967 -0.777 3.563 1.00 0.00 C ATOM 577 O CYS A 63 -4.529 -0.819 4.718 1.00 0.00 O ATOM 578 CB CYS A 63 -7.041 -2.026 4.314 1.00 0.00 C ATOM 579 SG CYS A 63 -7.734 -0.609 5.198 1.00 0.00 S ATOM 0 H CYS A 63 -5.550 -3.629 3.186 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.760 -1.096 2.423 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.859 -2.649 3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.465 -2.631 5.015 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.478 -1.030 6.177 1.00 0.00 H new ATOM 585 N LEU A 64 -4.421 -0.005 2.627 1.00 0.00 N ATOM 586 CA LEU A 64 -3.483 1.064 2.950 1.00 0.00 C ATOM 587 C LEU A 64 -4.306 2.342 3.120 1.00 0.00 C ATOM 588 O LEU A 64 -4.997 2.752 2.185 1.00 0.00 O ATOM 589 CB LEU A 64 -2.408 1.236 1.862 1.00 0.00 C ATOM 590 CG LEU A 64 -1.517 -0.010 1.644 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.849 -0.739 0.333 1.00 0.00 C ATOM 592 CD2 LEU A 64 -0.030 0.365 1.621 1.00 0.00 C ATOM 0 H LEU A 64 -4.615 -0.102 1.630 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.942 0.824 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.897 1.487 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.772 2.081 2.126 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.722 -0.674 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.198 -1.606 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.889 -1.066 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.696 -0.063 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.569 -0.532 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.155 1.069 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.244 0.825 2.571 1.00 0.00 H new ATOM 604 N THR A 65 -4.251 2.967 4.292 1.00 0.00 N ATOM 605 CA THR A 65 -5.084 4.104 4.654 1.00 0.00 C ATOM 606 C THR A 65 -4.344 5.425 4.446 1.00 0.00 C ATOM 607 O THR A 65 -3.138 5.449 4.193 1.00 0.00 O ATOM 608 CB THR A 65 -5.618 3.936 6.090 1.00 0.00 C ATOM 609 OG1 THR A 65 -4.604 4.249 7.021 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.121 2.522 6.408 1.00 0.00 C ATOM 0 H THR A 65 -3.609 2.688 5.034 1.00 0.00 H new ATOM 0 HA THR A 65 -5.947 4.136 3.989 1.00 0.00 H new ATOM 0 HB THR A 65 -6.466 4.616 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.991 4.745 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.480 2.486 7.437 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.935 2.264 5.730 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.306 1.809 6.283 1.00 0.00 H new ATOM 618 N ARG A 66 -5.038 6.556 4.597 1.00 0.00 N ATOM 619 CA ARG A 66 -4.427 7.879 4.505 1.00 0.00 C ATOM 620 C ARG A 66 -3.329 8.095 5.539 1.00 0.00 C ATOM 621 O ARG A 66 -2.312 8.720 5.228 1.00 0.00 O ATOM 622 CB ARG A 66 -5.531 8.930 4.663 1.00 0.00 C ATOM 623 CG ARG A 66 -5.669 9.748 3.387 1.00 0.00 C ATOM 624 CD ARG A 66 -4.540 10.752 3.219 1.00 0.00 C ATOM 625 NE ARG A 66 -4.403 11.657 4.369 1.00 0.00 N ATOM 626 CZ ARG A 66 -5.230 12.638 4.744 1.00 0.00 C ATOM 627 NH1 ARG A 66 -6.379 12.848 4.119 1.00 0.00 N ATOM 628 NH2 ARG A 66 -4.888 13.422 5.745 1.00 0.00 N ATOM 0 H ARG A 66 -6.040 6.577 4.787 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.945 7.969 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.477 8.441 4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.299 9.587 5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.686 9.077 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.623 10.276 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.603 10.216 3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.715 11.341 2.319 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.577 11.520 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.648 12.255 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.994 13.603 4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.000 13.278 6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.511 14.174 6.040 1.00 0.00 H new ATOM 642 N ALA A 67 -3.535 7.556 6.738 1.00 0.00 N ATOM 643 CA ALA A 67 -2.494 7.475 7.751 1.00 0.00 C ATOM 644 C ALA A 67 -1.340 6.646 7.209 1.00 0.00 C ATOM 645 O ALA A 67 -0.232 7.152 7.097 1.00 0.00 O ATOM 646 CB ALA A 67 -2.992 6.862 9.060 1.00 0.00 C ATOM 0 H ALA A 67 -4.430 7.164 7.032 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.171 8.492 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.174 6.826 9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.802 7.471 9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.356 5.851 8.873 1.00 0.00 H new ATOM 652 N GLN A 68 -1.598 5.379 6.876 1.00 0.00 N ATOM 653 CA GLN A 68 -0.576 4.391 6.525 1.00 0.00 C ATOM 654 C GLN A 68 0.335 4.904 5.413 1.00 0.00 C ATOM 655 O GLN A 68 1.554 4.812 5.495 1.00 0.00 O ATOM 656 CB GLN A 68 -1.275 3.103 6.073 1.00 0.00 C ATOM 657 CG GLN A 68 -2.008 2.377 7.211 1.00 0.00 C ATOM 658 CD GLN A 68 -1.112 1.430 8.005 1.00 0.00 C ATOM 659 OE1 GLN A 68 0.076 1.676 8.211 1.00 0.00 O ATOM 660 NE2 GLN A 68 -1.650 0.302 8.432 1.00 0.00 N ATOM 0 H GLN A 68 -2.546 5.003 6.842 1.00 0.00 H new ATOM 0 HA GLN A 68 0.046 4.200 7.400 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.989 3.343 5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.536 2.430 5.639 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.433 3.117 7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.841 1.812 6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.636 0.108 8.256 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.080 -0.376 8.938 1.00 0.00 H new ATOM 669 N LEU A 69 -0.251 5.468 4.364 1.00 0.00 N ATOM 670 CA LEU A 69 0.502 5.915 3.205 1.00 0.00 C ATOM 671 C LEU A 69 1.352 7.117 3.590 1.00 0.00 C ATOM 672 O LEU A 69 2.568 7.096 3.394 1.00 0.00 O ATOM 673 CB LEU A 69 -0.457 6.209 2.046 1.00 0.00 C ATOM 674 CG LEU A 69 -1.234 4.961 1.619 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.425 5.367 0.752 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.307 3.969 0.925 1.00 0.00 C ATOM 0 H LEU A 69 -1.256 5.627 4.295 1.00 0.00 H new ATOM 0 HA LEU A 69 1.181 5.134 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.158 6.989 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.107 6.594 1.197 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.631 4.453 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.976 4.476 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.082 6.024 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.068 5.891 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.875 3.087 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.129 4.435 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.489 3.674 1.609 1.00 0.00 H new ATOM 688 N ALA A 70 0.748 8.144 4.190 1.00 0.00 N ATOM 689 CA ALA A 70 1.502 9.303 4.640 1.00 0.00 C ATOM 690 C ALA A 70 2.514 8.950 5.734 1.00 0.00 C ATOM 691 O ALA A 70 3.472 9.706 5.906 1.00 0.00 O ATOM 692 CB ALA A 70 0.544 10.371 5.143 1.00 0.00 C ATOM 0 H ALA A 70 -0.254 8.192 4.372 1.00 0.00 H new ATOM 0 HA ALA A 70 2.067 9.680 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.111 11.239 5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.127 10.667 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.040 9.974 5.974 1.00 0.00 H new ATOM 698 N SER A 71 2.351 7.812 6.422 1.00 0.00 N ATOM 699 CA SER A 71 3.322 7.331 7.405 1.00 0.00 C ATOM 700 C SER A 71 4.644 7.046 6.689 1.00 0.00 C ATOM 701 O SER A 71 5.700 7.481 7.141 1.00 0.00 O ATOM 702 CB SER A 71 2.813 6.088 8.159 1.00 0.00 C ATOM 703 OG SER A 71 1.594 6.321 8.843 1.00 0.00 O ATOM 0 H SER A 71 1.541 7.202 6.310 1.00 0.00 H new ATOM 0 HA SER A 71 3.473 8.102 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.677 5.270 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.570 5.767 8.875 1.00 0.00 H new ATOM 0 HG SER A 71 1.007 6.874 8.286 1.00 0.00 H new ATOM 709 N MET A 72 4.572 6.409 5.513 1.00 0.00 N ATOM 710 CA MET A 72 5.716 6.128 4.638 1.00 0.00 C ATOM 711 C MET A 72 6.288 7.410 4.018 1.00 0.00 C ATOM 712 O MET A 72 7.306 7.359 3.334 1.00 0.00 O ATOM 713 CB MET A 72 5.346 5.199 3.468 1.00 0.00 C ATOM 714 CG MET A 72 4.142 4.294 3.689 1.00 0.00 C ATOM 715 SD MET A 72 4.347 2.588 3.166 1.00 0.00 S ATOM 716 CE MET A 72 2.733 2.408 2.415 1.00 0.00 C ATOM 0 H MET A 72 3.690 6.065 5.134 1.00 0.00 H new ATOM 0 HA MET A 72 6.451 5.647 5.283 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.157 5.814 2.588 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.209 4.573 3.240 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.894 4.302 4.750 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.289 4.718 3.159 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.582 1.369 2.122 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.964 2.699 3.131 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.669 3.046 1.534 1.00 0.00 H new ATOM 726 N GLY A 73 5.591 8.542 4.151 1.00 0.00 N ATOM 727 CA GLY A 73 5.870 9.749 3.404 1.00 0.00 C ATOM 728 C GLY A 73 5.265 9.729 2.002 1.00 0.00 C ATOM 729 O GLY A 73 5.737 10.492 1.167 1.00 0.00 O ATOM 0 H GLY A 73 4.805 8.636 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.481 10.608 3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.949 9.883 3.327 1.00 0.00 H new ATOM 733 N LEU A 74 4.255 8.903 1.687 1.00 0.00 N ATOM 734 CA LEU A 74 3.525 9.071 0.423 1.00 0.00 C ATOM 735 C LEU A 74 2.880 10.460 0.420 1.00 0.00 C ATOM 736 O LEU A 74 2.246 10.868 1.396 1.00 0.00 O ATOM 737 CB LEU A 74 2.534 7.928 0.171 1.00 0.00 C ATOM 738 CG LEU A 74 1.359 8.135 -0.810 1.00 0.00 C ATOM 739 CD1 LEU A 74 0.192 8.910 -0.209 1.00 0.00 C ATOM 740 CD2 LEU A 74 1.681 8.659 -2.206 1.00 0.00 C ATOM 0 H LEU A 74 3.932 8.133 2.273 1.00 0.00 H new ATOM 0 HA LEU A 74 4.216 9.014 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.108 7.072 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.108 7.648 1.135 1.00 0.00 H new ATOM 0 HG LEU A 74 1.062 7.099 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.596 9.017 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.197 8.371 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.533 9.897 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.760 8.753 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.161 9.634 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.353 7.964 -2.709 1.00 0.00 H new ATOM 752 N ASN A 75 3.065 11.193 -0.672 1.00 0.00 N ATOM 753 CA ASN A 75 2.595 12.562 -0.837 1.00 0.00 C ATOM 754 C ASN A 75 1.140 12.555 -1.281 1.00 0.00 C ATOM 755 O ASN A 75 0.834 12.569 -2.470 1.00 0.00 O ATOM 756 CB ASN A 75 3.459 13.365 -1.823 1.00 0.00 C ATOM 757 CG ASN A 75 3.224 14.862 -1.633 1.00 0.00 C ATOM 758 OD1 ASN A 75 2.137 15.307 -1.265 1.00 0.00 O ATOM 759 ND2 ASN A 75 4.247 15.674 -1.833 1.00 0.00 N ATOM 0 H ASN A 75 3.561 10.840 -1.491 1.00 0.00 H new ATOM 0 HA ASN A 75 2.680 13.059 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.512 13.132 -1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.217 13.079 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.139 16.677 -1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.145 15.298 -2.138 1.00 0.00 H new ATOM 766 N THR A 76 0.231 12.524 -0.320 1.00 0.00 N ATOM 767 CA THR A 76 -1.205 12.537 -0.545 1.00 0.00 C ATOM 768 C THR A 76 -1.628 13.814 -1.274 1.00 0.00 C ATOM 769 O THR A 76 -2.538 13.784 -2.096 1.00 0.00 O ATOM 770 CB THR A 76 -1.858 12.439 0.852 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.368 13.492 1.668 1.00 0.00 O ATOM 772 CG2 THR A 76 -1.506 11.143 1.591 1.00 0.00 C ATOM 0 H THR A 76 0.480 12.488 0.668 1.00 0.00 H new ATOM 0 HA THR A 76 -1.519 11.708 -1.179 1.00 0.00 H new ATOM 0 HB THR A 76 -2.935 12.482 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.780 13.437 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.995 11.135 2.565 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.846 10.288 1.007 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.426 11.083 1.727 1.00 0.00 H new ATOM 780 N ALA A 77 -0.966 14.943 -1.018 1.00 0.00 N ATOM 781 CA ALA A 77 -1.354 16.196 -1.636 1.00 0.00 C ATOM 782 C ALA A 77 -0.910 16.266 -3.093 1.00 0.00 C ATOM 783 O ALA A 77 -1.442 17.095 -3.830 1.00 0.00 O ATOM 784 CB ALA A 77 -0.763 17.352 -0.857 1.00 0.00 C ATOM 0 H ALA A 77 -0.165 15.008 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.442 16.259 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.056 18.293 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.131 17.325 0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.324 17.271 -0.855 1.00 0.00 H new ATOM 790 N SER A 78 0.016 15.414 -3.535 1.00 0.00 N ATOM 791 CA SER A 78 0.341 15.303 -4.947 1.00 0.00 C ATOM 792 C SER A 78 -0.799 14.680 -5.766 1.00 0.00 C ATOM 793 O SER A 78 -0.728 14.727 -6.997 1.00 0.00 O ATOM 794 CB SER A 78 1.617 14.479 -5.105 1.00 0.00 C ATOM 795 OG SER A 78 2.717 15.159 -4.535 1.00 0.00 O ATOM 0 H SER A 78 0.552 14.792 -2.930 1.00 0.00 H new ATOM 0 HA SER A 78 0.492 16.310 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.493 13.509 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.806 14.289 -6.162 1.00 0.00 H new ATOM 0 HG SER A 78 3.527 14.618 -4.642 1.00 0.00 H new ATOM 801 N VAL A 79 -1.824 14.094 -5.132 1.00 0.00 N ATOM 802 CA VAL A 79 -2.831 13.306 -5.812 1.00 0.00 C ATOM 803 C VAL A 79 -4.218 13.677 -5.299 1.00 0.00 C ATOM 804 O VAL A 79 -4.544 13.471 -4.125 1.00 0.00 O ATOM 805 CB VAL A 79 -2.440 11.824 -5.695 1.00 0.00 C ATOM 806 CG1 VAL A 79 -1.772 11.375 -4.390 1.00 0.00 C ATOM 807 CG2 VAL A 79 -3.566 10.880 -6.134 1.00 0.00 C ATOM 0 H VAL A 79 -1.968 14.161 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.879 13.520 -6.880 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.626 11.742 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.550 10.309 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.846 11.932 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.444 11.565 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.235 9.847 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.443 11.044 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.821 11.077 -7.175 1.00 0.00 H new ATOM 817 N ALA A 80 -5.031 14.271 -6.175 1.00 0.00 N ATOM 818 CA ALA A 80 -6.372 14.739 -5.861 1.00 0.00 C ATOM 819 C ALA A 80 -7.233 13.598 -5.324 1.00 0.00 C ATOM 820 O ALA A 80 -7.022 12.428 -5.657 1.00 0.00 O ATOM 821 CB ALA A 80 -7.009 15.345 -7.112 1.00 0.00 C ATOM 0 H ALA A 80 -4.764 14.442 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.305 15.503 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.014 15.695 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.405 16.183 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.063 14.589 -7.895 1.00 0.00 H new ATOM 827 N GLY A 81 -8.228 13.946 -4.511 1.00 0.00 N ATOM 828 CA GLY A 81 -9.109 12.976 -3.882 1.00 0.00 C ATOM 829 C GLY A 81 -8.423 12.181 -2.773 1.00 0.00 C ATOM 830 O GLY A 81 -9.009 11.229 -2.270 1.00 0.00 O ATOM 0 H GLY A 81 -8.443 14.914 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.975 13.493 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.481 12.286 -4.639 1.00 0.00 H new ATOM 834 N MET A 82 -7.209 12.550 -2.342 1.00 0.00 N ATOM 835 CA MET A 82 -6.531 11.828 -1.267 1.00 0.00 C ATOM 836 C MET A 82 -6.627 12.533 0.074 1.00 0.00 C ATOM 837 O MET A 82 -6.817 11.890 1.109 1.00 0.00 O ATOM 838 CB MET A 82 -5.077 11.574 -1.625 1.00 0.00 C ATOM 839 CG MET A 82 -4.591 10.355 -0.838 1.00 0.00 C ATOM 840 SD MET A 82 -3.095 9.599 -1.488 1.00 0.00 S ATOM 841 CE MET A 82 -3.737 9.014 -3.069 1.00 0.00 C ATOM 0 H MET A 82 -6.683 13.338 -2.720 1.00 0.00 H new ATOM 0 HA MET A 82 -7.049 10.875 -1.161 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.975 11.399 -2.696 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.470 12.447 -1.385 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.414 10.652 0.196 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.384 9.608 -0.823 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.913 8.656 -3.686 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.442 8.200 -2.897 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.245 9.832 -3.581 1.00 0.00 H new ATOM 851 N ASN A 83 -6.500 13.858 0.076 1.00 0.00 N ATOM 852 CA ASN A 83 -6.413 14.654 1.298 1.00 0.00 C ATOM 853 C ASN A 83 -7.696 14.669 2.140 1.00 0.00 C ATOM 854 O ASN A 83 -7.717 15.266 3.213 1.00 0.00 O ATOM 855 CB ASN A 83 -5.956 16.077 0.972 1.00 0.00 C ATOM 856 CG ASN A 83 -7.036 16.965 0.359 1.00 0.00 C ATOM 857 OD1 ASN A 83 -7.919 17.481 1.032 1.00 0.00 O ATOM 858 ND2 ASN A 83 -6.994 17.178 -0.944 1.00 0.00 N ATOM 0 H ASN A 83 -6.454 14.414 -0.778 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.668 14.161 1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.593 16.547 1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.112 16.025 0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.696 17.771 -1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.260 16.750 -1.507 1.00 0.00 H new ATOM 865 N LEU A 84 -8.730 13.955 1.704 1.00 0.00 N ATOM 866 CA LEU A 84 -10.059 13.880 2.280 1.00 0.00 C ATOM 867 C LEU A 84 -10.410 12.447 2.712 1.00 0.00 C ATOM 868 O LEU A 84 -11.473 12.226 3.284 1.00 0.00 O ATOM 869 CB LEU A 84 -11.126 14.499 1.356 1.00 0.00 C ATOM 870 CG LEU A 84 -11.000 14.283 -0.158 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.805 15.038 -0.732 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.923 12.801 -0.520 1.00 0.00 C ATOM 0 H LEU A 84 -8.648 13.370 0.873 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.054 14.486 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.097 14.113 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.138 15.574 1.537 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.907 14.687 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.746 14.863 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.925 16.105 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.890 14.686 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.835 12.695 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.053 12.354 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.826 12.296 -0.178 1.00 0.00 H new ATOM 884 N LEU A 85 -9.547 11.458 2.463 1.00 0.00 N ATOM 885 CA LEU A 85 -9.794 10.067 2.855 1.00 0.00 C ATOM 886 C LEU A 85 -9.472 9.892 4.338 1.00 0.00 C ATOM 887 O LEU A 85 -8.517 10.496 4.832 1.00 0.00 O ATOM 888 CB LEU A 85 -8.927 9.145 1.983 1.00 0.00 C ATOM 889 CG LEU A 85 -9.627 8.856 0.646 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.622 8.414 -0.418 1.00 0.00 C ATOM 891 CD2 LEU A 85 -10.698 7.768 0.784 1.00 0.00 C ATOM 0 H LEU A 85 -8.657 11.599 1.984 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.842 9.807 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.959 9.612 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.736 8.210 2.510 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.103 9.788 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.146 8.216 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.886 9.203 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.117 7.507 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.168 7.595 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.236 6.845 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.453 8.090 1.501 1.00 0.00 H new ATOM 903 N ALA A 86 -10.235 9.053 5.042 1.00 0.00 N ATOM 904 CA ALA A 86 -10.005 8.814 6.461 1.00 0.00 C ATOM 905 C ALA A 86 -8.711 8.040 6.688 1.00 0.00 C ATOM 906 O ALA A 86 -8.254 7.264 5.840 1.00 0.00 O ATOM 907 CB ALA A 86 -11.164 8.032 7.075 1.00 0.00 C ATOM 0 H ALA A 86 -11.017 8.529 4.649 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.927 9.789 6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.970 7.866 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.087 8.600 6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.263 7.072 6.569 1.00 0.00 H new ATOM 913 N ASP A 87 -8.181 8.165 7.897 1.00 0.00 N ATOM 914 CA ASP A 87 -6.982 7.478 8.369 1.00 0.00 C ATOM 915 C ASP A 87 -7.220 5.974 8.560 1.00 0.00 C ATOM 916 O ASP A 87 -6.284 5.241 8.893 1.00 0.00 O ATOM 917 CB ASP A 87 -6.478 8.141 9.659 1.00 0.00 C ATOM 918 CG ASP A 87 -5.801 9.494 9.441 1.00 0.00 C ATOM 919 OD1 ASP A 87 -5.479 10.160 10.442 1.00 0.00 O ATOM 920 OD2 ASP A 87 -5.619 9.926 8.274 1.00 0.00 O ATOM 0 H ASP A 87 -8.590 8.773 8.607 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.210 7.571 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.319 8.273 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.774 7.469 10.149 1.00 0.00 H new ATOM 926 N ASP A 88 -8.442 5.510 8.286 1.00 0.00 N ATOM 927 CA ASP A 88 -8.885 4.127 8.272 1.00 0.00 C ATOM 928 C ASP A 88 -9.661 3.796 7.012 1.00 0.00 C ATOM 929 O ASP A 88 -10.511 2.897 7.004 1.00 0.00 O ATOM 930 CB ASP A 88 -9.841 3.962 9.447 1.00 0.00 C ATOM 931 CG ASP A 88 -10.985 4.977 9.508 1.00 0.00 C ATOM 932 OD1 ASP A 88 -10.974 5.808 10.451 1.00 0.00 O ATOM 933 OD2 ASP A 88 -11.886 4.957 8.644 1.00 0.00 O ATOM 0 H ASP A 88 -9.202 6.148 8.050 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.014 3.474 8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.268 2.960 9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.268 4.029 10.372 1.00 0.00 H new ATOM 939 N ALA A 89 -9.255 4.378 5.886 1.00 0.00 N ATOM 940 CA ALA A 89 -9.996 4.177 4.666 1.00 0.00 C ATOM 941 C ALA A 89 -9.241 3.210 3.759 1.00 0.00 C ATOM 942 O ALA A 89 -8.014 3.294 3.695 1.00 0.00 O ATOM 943 CB ALA A 89 -10.213 5.521 3.972 1.00 0.00 C ATOM 0 H ALA A 89 -8.434 4.978 5.803 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.970 3.744 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.773 5.368 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.773 6.185 4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.248 5.971 3.740 1.00 0.00 H new ATOM 949 N CYS A 90 -9.916 2.346 3.000 1.00 0.00 N ATOM 950 CA CYS A 90 -9.247 1.588 1.946 1.00 0.00 C ATOM 951 C CYS A 90 -8.970 2.529 0.771 1.00 0.00 C ATOM 952 O CYS A 90 -9.768 2.594 -0.169 1.00 0.00 O ATOM 953 CB CYS A 90 -10.081 0.383 1.493 1.00 0.00 C ATOM 954 SG CYS A 90 -10.296 -0.918 2.730 1.00 0.00 S ATOM 0 H CYS A 90 -10.914 2.156 3.094 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.310 1.190 2.336 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.066 0.738 1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.611 -0.052 0.611 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.366 -0.816 3.633 1.00 0.00 H new ATOM 960 N VAL A 91 -7.859 3.272 0.802 1.00 0.00 N ATOM 961 CA VAL A 91 -7.525 4.210 -0.269 1.00 0.00 C ATOM 962 C VAL A 91 -7.408 3.418 -1.586 1.00 0.00 C ATOM 963 O VAL A 91 -6.944 2.274 -1.565 1.00 0.00 O ATOM 964 CB VAL A 91 -6.221 4.970 0.082 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.736 5.940 -1.007 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.360 5.759 1.399 1.00 0.00 C ATOM 0 H VAL A 91 -7.176 3.240 1.559 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.305 4.962 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.476 4.181 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.819 6.428 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.543 5.388 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.502 6.693 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.426 6.279 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.166 6.486 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.586 5.071 2.213 1.00 0.00 H new ATOM 976 N PRO A 92 -7.788 3.970 -2.747 1.00 0.00 N ATOM 977 CA PRO A 92 -7.409 3.427 -4.051 1.00 0.00 C ATOM 978 C PRO A 92 -5.903 3.620 -4.254 1.00 0.00 C ATOM 979 O PRO A 92 -5.464 4.566 -4.915 1.00 0.00 O ATOM 980 CB PRO A 92 -8.241 4.209 -5.069 1.00 0.00 C ATOM 981 CG PRO A 92 -8.481 5.529 -4.360 1.00 0.00 C ATOM 982 CD PRO A 92 -8.652 5.128 -2.906 1.00 0.00 C ATOM 0 HA PRO A 92 -7.600 2.358 -4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.707 4.346 -6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.176 3.700 -5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.642 6.213 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.367 6.035 -4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.362 5.936 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.690 4.883 -2.681 1.00 0.00 H new ATOM 990 N LEU A 93 -5.081 2.757 -3.662 1.00 0.00 N ATOM 991 CA LEU A 93 -3.643 2.949 -3.678 1.00 0.00 C ATOM 992 C LEU A 93 -3.113 2.844 -5.099 1.00 0.00 C ATOM 993 O LEU A 93 -2.322 3.675 -5.532 1.00 0.00 O ATOM 994 CB LEU A 93 -2.949 2.006 -2.681 1.00 0.00 C ATOM 995 CG LEU A 93 -1.477 2.329 -2.339 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.434 1.628 -3.195 1.00 0.00 C ATOM 997 CD2 LEU A 93 -1.126 3.817 -2.349 1.00 0.00 C ATOM 0 H LEU A 93 -5.391 1.921 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.406 3.957 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.523 2.007 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.992 0.993 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.429 1.939 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.563 1.926 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.543 0.549 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.574 1.907 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.073 3.944 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.315 4.229 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.740 4.341 -1.616 1.00 0.00 H new ATOM 1009 N THR A 94 -3.617 1.872 -5.842 1.00 0.00 N ATOM 1010 CA THR A 94 -3.127 1.522 -7.163 1.00 0.00 C ATOM 1011 C THR A 94 -3.991 2.101 -8.288 1.00 0.00 C ATOM 1012 O THR A 94 -3.520 2.157 -9.424 1.00 0.00 O ATOM 1013 CB THR A 94 -2.996 -0.009 -7.209 1.00 0.00 C ATOM 1014 OG1 THR A 94 -4.126 -0.611 -6.603 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.788 -0.457 -6.381 1.00 0.00 C ATOM 0 H THR A 94 -4.397 1.291 -5.535 1.00 0.00 H new ATOM 0 HA THR A 94 -2.150 1.973 -7.337 1.00 0.00 H new ATOM 0 HB THR A 94 -2.897 -0.301 -8.255 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.035 -1.586 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.703 -1.543 -6.419 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.882 -0.008 -6.787 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.918 -0.140 -5.346 1.00 0.00 H new ATOM 1023 N THR A 95 -5.211 2.588 -8.014 1.00 0.00 N ATOM 1024 CA THR A 95 -5.936 3.379 -9.000 1.00 0.00 C ATOM 1025 C THR A 95 -5.363 4.805 -8.972 1.00 0.00 C ATOM 1026 O THR A 95 -4.842 5.262 -9.989 1.00 0.00 O ATOM 1027 CB THR A 95 -7.452 3.269 -8.736 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.980 2.047 -9.234 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.288 4.394 -9.346 1.00 0.00 C ATOM 0 H THR A 95 -5.703 2.447 -7.132 1.00 0.00 H new ATOM 0 HA THR A 95 -5.804 3.011 -10.017 1.00 0.00 H new ATOM 0 HB THR A 95 -7.528 3.331 -7.650 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.942 2.007 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.340 4.235 -9.110 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.965 5.351 -8.936 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.156 4.400 -10.428 1.00 0.00 H new ATOM 1037 N MET A 96 -5.422 5.511 -7.834 1.00 0.00 N ATOM 1038 CA MET A 96 -5.161 6.952 -7.798 1.00 0.00 C ATOM 1039 C MET A 96 -3.689 7.311 -8.036 1.00 0.00 C ATOM 1040 O MET A 96 -3.405 8.455 -8.395 1.00 0.00 O ATOM 1041 CB MET A 96 -5.669 7.556 -6.467 1.00 0.00 C ATOM 1042 CG MET A 96 -6.797 8.575 -6.707 1.00 0.00 C ATOM 1043 SD MET A 96 -8.034 8.804 -5.397 1.00 0.00 S ATOM 1044 CE MET A 96 -7.008 9.137 -3.954 1.00 0.00 C ATOM 0 H MET A 96 -5.649 5.104 -6.926 1.00 0.00 H new ATOM 0 HA MET A 96 -5.714 7.391 -8.628 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.030 6.758 -5.818 1.00 0.00 H new ATOM 0 HB3 MET A 96 -4.843 8.041 -5.947 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.336 9.543 -6.903 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.323 8.282 -7.616 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.645 9.313 -3.087 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.362 8.281 -3.761 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.395 10.019 -4.139 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.763 6.370 -7.842 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.337 6.563 -8.045 1.00 0.00 C ATOM 1056 C VAL A 97 -0.955 5.677 -9.229 1.00 0.00 C ATOM 1057 O VAL A 97 -1.004 4.448 -9.135 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.545 6.264 -6.750 1.00 0.00 C ATOM 1059 CG1 VAL A 97 0.943 6.602 -6.918 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -1.112 7.030 -5.536 1.00 0.00 C ATOM 0 H VAL A 97 -2.998 5.428 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.086 7.599 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.651 5.196 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.473 6.381 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.363 6.005 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.051 7.661 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.526 6.791 -4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.061 8.102 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.150 6.739 -5.375 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.617 6.301 -10.362 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.007 5.602 -11.488 1.00 0.00 C ATOM 1072 C GLN A 98 1.375 5.092 -11.063 1.00 0.00 C ATOM 1073 O GLN A 98 1.954 5.605 -10.105 1.00 0.00 O ATOM 1074 CB GLN A 98 0.093 6.560 -12.690 1.00 0.00 C ATOM 1075 CG GLN A 98 0.131 5.845 -14.054 1.00 0.00 C ATOM 1076 CD GLN A 98 -1.150 5.049 -14.301 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -2.231 5.630 -14.355 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -1.066 3.737 -14.404 1.00 0.00 N ATOM 0 H GLN A 98 -0.759 7.299 -10.520 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.616 4.749 -11.786 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.757 7.241 -12.671 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.991 7.168 -12.584 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.264 6.580 -14.848 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.990 5.176 -14.092 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.156 3.279 -14.356 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.911 3.180 -14.532 1.00 0.00 H new ATOM 1087 N ASP A 99 1.923 4.106 -11.773 1.00 0.00 N ATOM 1088 CA ASP A 99 3.224 3.467 -11.532 1.00 0.00 C ATOM 1089 C ASP A 99 3.211 2.565 -10.294 1.00 0.00 C ATOM 1090 O ASP A 99 3.853 1.515 -10.297 1.00 0.00 O ATOM 1091 CB ASP A 99 4.365 4.506 -11.458 1.00 0.00 C ATOM 1092 CG ASP A 99 5.740 4.010 -11.921 1.00 0.00 C ATOM 1093 OD1 ASP A 99 5.961 2.801 -12.152 1.00 0.00 O ATOM 1094 OD2 ASP A 99 6.605 4.890 -12.167 1.00 0.00 O ATOM 0 H ASP A 99 1.445 3.706 -12.580 1.00 0.00 H new ATOM 0 HA ASP A 99 3.417 2.824 -12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.087 5.369 -12.063 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.451 4.853 -10.428 1.00 0.00 H new ATOM 1100 N ALA A 100 2.449 2.927 -9.257 1.00 0.00 N ATOM 1101 CA ALA A 100 2.337 2.202 -8.002 1.00 0.00 C ATOM 1102 C ALA A 100 1.710 0.824 -8.177 1.00 0.00 C ATOM 1103 O ALA A 100 0.853 0.628 -9.039 1.00 0.00 O ATOM 1104 CB ALA A 100 1.475 3.008 -7.028 1.00 0.00 C ATOM 0 H ALA A 100 1.873 3.768 -9.277 1.00 0.00 H new ATOM 0 HA ALA A 100 3.348 2.065 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.389 2.467 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.939 3.978 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.483 3.154 -7.455 1.00 0.00 H new ATOM 1110 N THR A 101 2.069 -0.079 -7.267 1.00 0.00 N ATOM 1111 CA THR A 101 1.505 -1.421 -7.131 1.00 0.00 C ATOM 1112 C THR A 101 1.464 -1.814 -5.646 1.00 0.00 C ATOM 1113 O THR A 101 2.183 -1.220 -4.833 1.00 0.00 O ATOM 1114 CB THR A 101 2.300 -2.444 -7.962 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.697 -2.305 -7.755 1.00 0.00 O ATOM 1116 CG2 THR A 101 1.972 -2.337 -9.455 1.00 0.00 C ATOM 0 H THR A 101 2.792 0.113 -6.574 1.00 0.00 H new ATOM 0 HA THR A 101 0.486 -1.418 -7.519 1.00 0.00 H new ATOM 0 HB THR A 101 1.998 -3.434 -7.619 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.175 -2.969 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.552 -3.075 -10.009 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.909 -2.522 -9.608 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.221 -1.338 -9.812 1.00 0.00 H new ATOM 1124 N ALA A 102 0.632 -2.805 -5.292 1.00 0.00 N ATOM 1125 CA ALA A 102 0.489 -3.384 -3.965 1.00 0.00 C ATOM 1126 C ALA A 102 0.408 -4.905 -4.099 1.00 0.00 C ATOM 1127 O ALA A 102 -0.673 -5.461 -4.311 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.746 -2.789 -3.271 1.00 0.00 C ATOM 0 H ALA A 102 0.009 -3.243 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 102 1.351 -3.146 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.850 -3.225 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.629 -1.709 -3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.636 -3.011 -3.860 1.00 0.00 H new ATOM 1134 N HIS A 103 1.555 -5.570 -3.992 1.00 0.00 N ATOM 1135 CA HIS A 103 1.762 -6.982 -4.263 1.00 0.00 C ATOM 1136 C HIS A 103 2.111 -7.698 -2.960 1.00 0.00 C ATOM 1137 O HIS A 103 3.188 -7.538 -2.391 1.00 0.00 O ATOM 1138 CB HIS A 103 2.820 -7.131 -5.369 1.00 0.00 C ATOM 1139 CG HIS A 103 3.659 -8.392 -5.421 1.00 0.00 C ATOM 1140 ND1 HIS A 103 4.896 -8.448 -6.014 1.00 0.00 N ATOM 1141 CD2 HIS A 103 3.369 -9.652 -4.964 1.00 0.00 C ATOM 1142 CE1 HIS A 103 5.363 -9.699 -5.908 1.00 0.00 C ATOM 1143 NE2 HIS A 103 4.455 -10.472 -5.289 1.00 0.00 N ATOM 0 H HIS A 103 2.414 -5.106 -3.696 1.00 0.00 H new ATOM 0 HA HIS A 103 0.856 -7.458 -4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.309 -7.036 -6.327 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.503 -6.285 -5.287 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.469 -9.955 -4.449 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.325 -10.036 -6.266 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.541 -11.469 -5.093 1.00 0.00 H new ATOM 1152 N LEU A 104 1.181 -8.516 -2.486 1.00 0.00 N ATOM 1153 CA LEU A 104 1.358 -9.373 -1.328 1.00 0.00 C ATOM 1154 C LEU A 104 2.156 -10.603 -1.763 1.00 0.00 C ATOM 1155 O LEU A 104 1.623 -11.478 -2.443 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.023 -9.729 -0.777 1.00 0.00 C ATOM 1157 CG LEU A 104 -0.065 -10.798 0.317 1.00 0.00 C ATOM 1158 CD1 LEU A 104 -0.523 -12.174 -0.187 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.114 -10.780 1.274 1.00 0.00 C ATOM 0 H LEU A 104 0.258 -8.602 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 104 1.914 -8.880 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.479 -8.820 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.645 -10.065 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.877 -10.500 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.529 -12.882 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.528 -12.093 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.162 -12.525 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.995 -11.573 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.037 -10.939 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.157 -9.816 1.780 1.00 0.00 H new ATOM 1171 N ASP A 105 3.431 -10.659 -1.375 1.00 0.00 N ATOM 1172 CA ASP A 105 4.220 -11.885 -1.334 1.00 0.00 C ATOM 1173 C ASP A 105 3.866 -12.655 -0.063 1.00 0.00 C ATOM 1174 O ASP A 105 4.435 -12.399 1.003 1.00 0.00 O ATOM 1175 CB ASP A 105 5.740 -11.629 -1.301 1.00 0.00 C ATOM 1176 CG ASP A 105 6.501 -12.957 -1.458 1.00 0.00 C ATOM 1177 OD1 ASP A 105 7.744 -12.966 -1.322 1.00 0.00 O ATOM 1178 OD2 ASP A 105 5.869 -14.020 -1.644 1.00 0.00 O ATOM 0 H ASP A 105 3.952 -9.835 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 105 3.985 -12.439 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.019 -10.944 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.016 -11.151 -0.361 1.00 0.00 H new ATOM 1184 N VAL A 106 2.893 -13.559 -0.108 1.00 0.00 N ATOM 1185 CA VAL A 106 2.638 -14.416 1.048 1.00 0.00 C ATOM 1186 C VAL A 106 3.861 -15.295 1.371 1.00 0.00 C ATOM 1187 O VAL A 106 4.071 -15.646 2.536 1.00 0.00 O ATOM 1188 CB VAL A 106 1.336 -15.210 0.828 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.533 -16.620 0.255 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.505 -15.237 2.118 1.00 0.00 C ATOM 0 H VAL A 106 2.282 -13.717 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 106 2.487 -13.803 1.936 1.00 0.00 H new ATOM 0 HB VAL A 106 0.787 -14.675 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.563 -17.102 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.028 -16.553 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.148 -17.207 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.412 -15.801 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.081 -15.712 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.255 -14.217 2.411 1.00 0.00 H new ATOM 1200 N GLY A 107 4.692 -15.609 0.372 1.00 0.00 N ATOM 1201 CA GLY A 107 5.786 -16.558 0.477 1.00 0.00 C ATOM 1202 C GLY A 107 6.893 -16.059 1.390 1.00 0.00 C ATOM 1203 O GLY A 107 7.440 -16.863 2.142 1.00 0.00 O ATOM 0 H GLY A 107 4.613 -15.193 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.406 -17.507 0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.195 -16.750 -0.515 1.00 0.00 H new ATOM 1207 N GLN A 108 7.182 -14.756 1.390 1.00 0.00 N ATOM 1208 CA GLN A 108 8.159 -14.129 2.281 1.00 0.00 C ATOM 1209 C GLN A 108 7.491 -13.125 3.227 1.00 0.00 C ATOM 1210 O GLN A 108 8.163 -12.303 3.854 1.00 0.00 O ATOM 1211 CB GLN A 108 9.295 -13.517 1.446 1.00 0.00 C ATOM 1212 CG GLN A 108 10.630 -13.379 2.199 1.00 0.00 C ATOM 1213 CD GLN A 108 11.356 -14.712 2.392 1.00 0.00 C ATOM 1214 OE1 GLN A 108 10.841 -15.666 2.968 1.00 0.00 O ATOM 1215 NE2 GLN A 108 12.602 -14.815 1.961 1.00 0.00 N ATOM 0 H GLN A 108 6.734 -14.094 0.757 1.00 0.00 H new ATOM 0 HA GLN A 108 8.600 -14.886 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.452 -14.133 0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.984 -12.532 1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.279 -12.696 1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.444 -12.930 3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 108 13.042 -14.030 1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.123 -15.679 2.109 1.00 0.00 H new ATOM 1224 N GLN A 109 6.160 -13.197 3.334 1.00 0.00 N ATOM 1225 CA GLN A 109 5.320 -12.294 4.099 1.00 0.00 C ATOM 1226 C GLN A 109 5.720 -10.835 3.868 1.00 0.00 C ATOM 1227 O GLN A 109 5.990 -10.088 4.810 1.00 0.00 O ATOM 1228 CB GLN A 109 5.306 -12.711 5.578 1.00 0.00 C ATOM 1229 CG GLN A 109 4.559 -14.039 5.743 1.00 0.00 C ATOM 1230 CD GLN A 109 4.270 -14.414 7.193 1.00 0.00 C ATOM 1231 OE1 GLN A 109 4.977 -15.218 7.790 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.174 -13.922 7.754 1.00 0.00 N ATOM 0 H GLN A 109 5.622 -13.925 2.864 1.00 0.00 H new ATOM 0 HA GLN A 109 4.291 -12.368 3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.327 -12.811 5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.826 -11.938 6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.616 -13.984 5.198 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.147 -14.834 5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.596 -13.254 7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 109 2.909 -14.212 8.695 1.00 0.00 H new ATOM 1241 N ARG A 110 5.733 -10.424 2.600 1.00 0.00 N ATOM 1242 CA ARG A 110 6.242 -9.135 2.165 1.00 0.00 C ATOM 1243 C ARG A 110 5.219 -8.458 1.284 1.00 0.00 C ATOM 1244 O ARG A 110 4.952 -8.921 0.176 1.00 0.00 O ATOM 1245 CB ARG A 110 7.599 -9.330 1.492 1.00 0.00 C ATOM 1246 CG ARG A 110 8.400 -8.020 1.428 1.00 0.00 C ATOM 1247 CD ARG A 110 9.524 -8.189 0.399 1.00 0.00 C ATOM 1248 NE ARG A 110 10.663 -7.288 0.628 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.337 -6.597 -0.300 1.00 0.00 C ATOM 1250 NH1 ARG A 110 10.905 -6.469 -1.548 1.00 0.00 N ATOM 1251 NH2 ARG A 110 12.488 -6.007 -0.015 1.00 0.00 N ATOM 0 H ARG A 110 5.380 -10.996 1.833 1.00 0.00 H new ATOM 0 HA ARG A 110 6.405 -8.471 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.171 -10.079 2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.452 -9.715 0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.750 -7.192 1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.815 -7.781 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.876 -9.221 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.123 -8.010 -0.599 1.00 0.00 H new ATOM 0 HE ARG A 110 10.972 -7.178 1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.028 -6.906 -1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.450 -5.933 -2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.876 -6.074 0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.986 -5.485 -0.736 1.00 0.00 H new ATOM 1265 N LEU A 111 4.627 -7.368 1.756 1.00 0.00 N ATOM 1266 CA LEU A 111 3.835 -6.516 0.895 1.00 0.00 C ATOM 1267 C LEU A 111 4.829 -5.663 0.116 1.00 0.00 C ATOM 1268 O LEU A 111 5.262 -4.608 0.587 1.00 0.00 O ATOM 1269 CB LEU A 111 2.818 -5.692 1.690 1.00 0.00 C ATOM 1270 CG LEU A 111 2.039 -4.681 0.832 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.208 -5.339 -0.273 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.159 -3.818 1.744 1.00 0.00 C ATOM 0 H LEU A 111 4.683 -7.059 2.726 1.00 0.00 H new ATOM 0 HA LEU A 111 3.223 -7.098 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.111 -6.368 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.338 -5.157 2.485 1.00 0.00 H new ATOM 0 HG LEU A 111 2.768 -4.055 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.684 -4.570 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.866 -5.897 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.482 -6.019 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.604 -3.099 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.459 -4.456 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.787 -3.285 2.457 1.00 0.00 H new ATOM 1284 N ASN A 112 5.216 -6.154 -1.057 1.00 0.00 N ATOM 1285 CA ASN A 112 5.952 -5.415 -2.069 1.00 0.00 C ATOM 1286 C ASN A 112 5.048 -4.272 -2.502 1.00 0.00 C ATOM 1287 O ASN A 112 3.959 -4.501 -3.029 1.00 0.00 O ATOM 1288 CB ASN A 112 6.305 -6.317 -3.263 1.00 0.00 C ATOM 1289 CG ASN A 112 7.450 -7.260 -2.936 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.609 -6.875 -3.003 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.179 -8.487 -2.521 1.00 0.00 N ATOM 0 H ASN A 112 5.016 -7.114 -1.336 1.00 0.00 H new ATOM 0 HA ASN A 112 6.897 -5.043 -1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.428 -6.896 -3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.576 -5.699 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 112 7.938 -9.115 -2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.211 -8.805 -2.466 1.00 0.00 H new ATOM 1298 N LEU A 113 5.449 -3.045 -2.205 1.00 0.00 N ATOM 1299 CA LEU A 113 4.654 -1.847 -2.393 1.00 0.00 C ATOM 1300 C LEU A 113 5.562 -0.881 -3.146 1.00 0.00 C ATOM 1301 O LEU A 113 6.733 -0.724 -2.789 1.00 0.00 O ATOM 1302 CB LEU A 113 4.233 -1.339 -0.995 1.00 0.00 C ATOM 1303 CG LEU A 113 2.972 -0.473 -0.915 1.00 0.00 C ATOM 1304 CD1 LEU A 113 3.116 0.805 -1.736 1.00 0.00 C ATOM 1305 CD2 LEU A 113 1.706 -1.231 -1.319 1.00 0.00 C ATOM 0 H LEU A 113 6.371 -2.852 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 113 3.736 -1.990 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.089 -2.206 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.063 -0.767 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 113 2.861 -0.199 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.202 1.394 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.957 1.387 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.291 0.548 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.845 -0.567 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.804 -1.582 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.566 -2.085 -0.656 1.00 0.00 H new ATOM 1317 N THR A 114 5.067 -0.221 -4.183 1.00 0.00 N ATOM 1318 CA THR A 114 5.891 0.675 -4.977 1.00 0.00 C ATOM 1319 C THR A 114 5.085 1.940 -5.240 1.00 0.00 C ATOM 1320 O THR A 114 3.862 1.867 -5.336 1.00 0.00 O ATOM 1321 CB THR A 114 6.282 -0.066 -6.268 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.995 -1.261 -5.989 1.00 0.00 O ATOM 1323 CG2 THR A 114 7.143 0.797 -7.182 1.00 0.00 C ATOM 0 H THR A 114 4.098 -0.290 -4.493 1.00 0.00 H new ATOM 0 HA THR A 114 6.810 0.967 -4.469 1.00 0.00 H new ATOM 0 HB THR A 114 5.344 -0.303 -6.770 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.227 -1.708 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.396 0.235 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.592 1.696 -7.459 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.058 1.079 -6.661 1.00 0.00 H new ATOM 1331 N ILE A 115 5.765 3.085 -5.347 1.00 0.00 N ATOM 1332 CA ILE A 115 5.193 4.397 -5.626 1.00 0.00 C ATOM 1333 C ILE A 115 6.229 5.210 -6.415 1.00 0.00 C ATOM 1334 O ILE A 115 7.430 5.089 -6.152 1.00 0.00 O ATOM 1335 CB ILE A 115 4.752 5.035 -4.276 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.331 4.527 -3.923 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.866 6.564 -4.249 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.485 5.409 -3.007 1.00 0.00 C ATOM 0 H ILE A 115 6.778 3.119 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 115 4.299 4.352 -6.247 1.00 0.00 H new ATOM 0 HB ILE A 115 5.448 4.712 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.783 4.382 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.428 3.548 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.541 6.936 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.902 6.855 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 115 4.235 6.990 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.516 4.938 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.995 5.536 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.339 6.383 -3.473 1.00 0.00 H new ATOM 1350 N PRO A 116 5.804 6.032 -7.386 1.00 0.00 N ATOM 1351 CA PRO A 116 6.703 6.944 -8.078 1.00 0.00 C ATOM 1352 C PRO A 116 7.183 8.031 -7.104 1.00 0.00 C ATOM 1353 O PRO A 116 6.395 8.538 -6.305 1.00 0.00 O ATOM 1354 CB PRO A 116 5.863 7.527 -9.215 1.00 0.00 C ATOM 1355 CG PRO A 116 4.425 7.453 -8.720 1.00 0.00 C ATOM 1356 CD PRO A 116 4.425 6.224 -7.816 1.00 0.00 C ATOM 0 HA PRO A 116 7.600 6.459 -8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.153 8.555 -9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.994 6.957 -10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.141 8.353 -8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.721 7.345 -9.545 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.768 6.372 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.059 5.348 -8.351 1.00 0.00 H new ATOM 1364 N GLN A 117 8.450 8.451 -7.195 1.00 0.00 N ATOM 1365 CA GLN A 117 9.020 9.480 -6.313 1.00 0.00 C ATOM 1366 C GLN A 117 8.295 10.826 -6.432 1.00 0.00 C ATOM 1367 O GLN A 117 8.356 11.649 -5.515 1.00 0.00 O ATOM 1368 CB GLN A 117 10.520 9.687 -6.599 1.00 0.00 C ATOM 1369 CG GLN A 117 11.410 8.538 -6.119 1.00 0.00 C ATOM 1370 CD GLN A 117 11.290 8.330 -4.610 1.00 0.00 C ATOM 1371 OE1 GLN A 117 11.497 9.247 -3.822 1.00 0.00 O ATOM 1372 NE2 GLN A 117 10.895 7.150 -4.179 1.00 0.00 N ATOM 0 H GLN A 117 9.111 8.088 -7.882 1.00 0.00 H new ATOM 0 HA GLN A 117 8.887 9.112 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.660 9.817 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.847 10.610 -6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 117 11.132 7.620 -6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.448 8.748 -6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.726 6.395 -4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.758 6.991 -3.181 1.00 0.00 H new ATOM 1381 N ALA A 118 7.584 11.061 -7.533 1.00 0.00 N ATOM 1382 CA ALA A 118 6.726 12.223 -7.700 1.00 0.00 C ATOM 1383 C ALA A 118 5.632 12.299 -6.628 1.00 0.00 C ATOM 1384 O ALA A 118 5.162 13.392 -6.329 1.00 0.00 O ATOM 1385 CB ALA A 118 6.099 12.136 -9.082 1.00 0.00 C ATOM 0 H ALA A 118 7.590 10.440 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 118 7.326 13.127 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.447 12.995 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.884 12.132 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.515 11.219 -9.160 1.00 0.00 H new ATOM 1391 N PHE A 119 5.238 11.166 -6.038 1.00 0.00 N ATOM 1392 CA PHE A 119 4.248 11.100 -4.977 1.00 0.00 C ATOM 1393 C PHE A 119 4.967 10.720 -3.670 1.00 0.00 C ATOM 1394 O PHE A 119 4.402 10.013 -2.838 1.00 0.00 O ATOM 1395 CB PHE A 119 3.166 10.055 -5.328 1.00 0.00 C ATOM 1396 CG PHE A 119 2.188 10.302 -6.468 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.623 10.633 -7.761 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.823 10.019 -6.269 1.00 0.00 C ATOM 1399 CE1 PHE A 119 1.720 10.658 -8.833 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.075 10.024 -7.354 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.367 10.350 -8.639 1.00 0.00 C ATOM 0 H PHE A 119 5.612 10.253 -6.296 1.00 0.00 H new ATOM 0 HA PHE A 119 3.755 12.065 -4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.682 9.120 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.574 9.891 -4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.663 10.871 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.462 9.796 -5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.072 10.918 -9.821 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.113 9.774 -7.192 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.323 10.364 -9.469 1.00 0.00 H new ATOM 1411 N MET A 120 6.176 11.231 -3.414 1.00 0.00 N ATOM 1412 CA MET A 120 6.878 11.036 -2.144 1.00 0.00 C ATOM 1413 C MET A 120 7.172 12.406 -1.545 1.00 0.00 C ATOM 1414 O MET A 120 7.632 13.317 -2.239 1.00 0.00 O ATOM 1415 CB MET A 120 8.135 10.167 -2.321 1.00 0.00 C ATOM 1416 CG MET A 120 7.803 8.724 -2.715 1.00 0.00 C ATOM 1417 SD MET A 120 6.720 7.800 -1.574 1.00 0.00 S ATOM 1418 CE MET A 120 7.666 7.833 -0.024 1.00 0.00 C ATOM 0 H MET A 120 6.696 11.794 -4.087 1.00 0.00 H new ATOM 0 HA MET A 120 6.250 10.483 -1.446 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.774 10.610 -3.085 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.704 10.164 -1.391 1.00 0.00 H new ATOM 0 HG2 MET A 120 7.331 8.738 -3.698 1.00 0.00 H new ATOM 0 HG3 MET A 120 8.739 8.174 -2.818 1.00 0.00 H new ATOM 0 HE1 MET A 120 7.138 7.257 0.737 1.00 0.00 H new ATOM 0 HE2 MET A 120 8.651 7.398 -0.190 1.00 0.00 H new ATOM 0 HE3 MET A 120 7.777 8.864 0.313 1.00 0.00 H new ATOM 1428 N SER A 121 6.842 12.552 -0.267 1.00 0.00 N ATOM 1429 CA SER A 121 6.819 13.755 0.536 1.00 0.00 C ATOM 1430 C SER A 121 7.970 13.649 1.522 1.00 0.00 C ATOM 1431 O SER A 121 7.843 13.027 2.582 1.00 0.00 O ATOM 1432 CB SER A 121 5.472 13.843 1.262 1.00 0.00 C ATOM 1433 OG SER A 121 5.354 15.064 1.947 1.00 0.00 O ATOM 0 H SER A 121 6.555 11.742 0.283 1.00 0.00 H new ATOM 0 HA SER A 121 6.931 14.655 -0.069 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.659 13.744 0.543 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.378 13.016 1.965 1.00 0.00 H new ATOM 0 HG SER A 121 4.487 15.101 2.402 1.00 0.00 H new