USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 433 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 Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 130:sc= 0.24 USER MOD Single : A 23 HIS : no HD1:sc= -3.18! K(o=-3.2!,f=-1.5) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0791 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -163:sc= -8.29! (180deg=-10.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-0.5) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 141:sc= 0.711 USER MOD Single : A 52 THR OG1 : rot 40:sc= -0.926! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00315) USER MOD Single : A 60 SER OG : rot -87:sc= 1.23 USER MOD Single : A 61 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 15.880 -13.875 -16.253 1.00 0.00 N ATOM 26 CA ASP A 11 16.951 -14.806 -16.707 1.00 0.00 C ATOM 27 C ASP A 11 18.294 -14.077 -16.707 1.00 0.00 C ATOM 28 O ASP A 11 18.356 -12.868 -16.816 1.00 0.00 O ATOM 29 CB ASP A 11 16.635 -15.291 -18.124 1.00 0.00 C ATOM 30 CG ASP A 11 15.277 -15.995 -18.132 1.00 0.00 C ATOM 31 OD1 ASP A 11 14.451 -15.655 -17.302 1.00 0.00 O ATOM 32 OD2 ASP A 11 15.087 -16.863 -18.968 1.00 0.00 O ATOM 0 HA ASP A 11 17.001 -15.660 -16.031 1.00 0.00 H new ATOM 0 HB2 ASP A 11 16.623 -14.447 -18.814 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.412 -15.973 -18.468 1.00 0.00 H new ATOM 37 N ILE A 12 19.373 -14.803 -16.591 1.00 0.00 N ATOM 38 CA ILE A 12 20.711 -14.149 -16.590 1.00 0.00 C ATOM 39 C ILE A 12 21.399 -14.407 -17.931 1.00 0.00 C ATOM 40 O ILE A 12 21.477 -15.527 -18.395 1.00 0.00 O ATOM 41 CB ILE A 12 21.563 -14.725 -15.456 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.803 -14.608 -14.135 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.877 -13.947 -15.361 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.649 -13.131 -13.765 1.00 0.00 C ATOM 0 H ILE A 12 19.385 -15.819 -16.497 1.00 0.00 H new ATOM 0 HA ILE A 12 20.593 -13.076 -16.441 1.00 0.00 H new ATOM 0 HB ILE A 12 21.776 -15.775 -15.659 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.823 -15.076 -14.224 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.338 -15.138 -13.347 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.485 -14.356 -14.554 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.419 -14.032 -16.303 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.664 -12.897 -15.159 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.107 -13.046 -12.823 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.635 -12.678 -13.659 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.095 -12.615 -14.550 1.00 0.00 H new ATOM 56 N VAL A 13 21.894 -13.377 -18.558 1.00 0.00 N ATOM 57 CA VAL A 13 22.571 -13.553 -19.870 1.00 0.00 C ATOM 58 C VAL A 13 23.929 -12.857 -19.823 1.00 0.00 C ATOM 59 O VAL A 13 24.125 -11.919 -19.074 1.00 0.00 O ATOM 60 CB VAL A 13 21.715 -12.914 -20.966 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.655 -13.914 -21.433 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.027 -11.664 -20.414 1.00 0.00 C ATOM 0 H VAL A 13 21.858 -12.417 -18.215 1.00 0.00 H new ATOM 0 HA VAL A 13 22.705 -14.614 -20.081 1.00 0.00 H new ATOM 0 HB VAL A 13 22.351 -12.637 -21.807 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.045 -13.460 -22.214 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.144 -14.805 -21.827 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.020 -14.191 -20.591 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.418 -11.209 -21.195 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.392 -11.940 -19.572 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.781 -10.951 -20.081 1.00 0.00 H new ATOM 72 N VAL A 14 24.867 -13.290 -20.614 1.00 0.00 N ATOM 73 CA VAL A 14 26.194 -12.624 -20.596 1.00 0.00 C ATOM 74 C VAL A 14 26.422 -11.943 -21.943 1.00 0.00 C ATOM 75 O VAL A 14 26.179 -12.511 -22.990 1.00 0.00 O ATOM 76 CB VAL A 14 27.296 -13.652 -20.332 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.414 -14.592 -21.534 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.627 -12.929 -20.118 1.00 0.00 C ATOM 0 H VAL A 14 24.774 -14.069 -21.266 1.00 0.00 H new ATOM 0 HA VAL A 14 26.221 -11.880 -19.800 1.00 0.00 H new ATOM 0 HB VAL A 14 27.049 -14.230 -19.441 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.199 -15.325 -21.347 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.466 -15.107 -21.688 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.662 -14.014 -22.425 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.412 -13.661 -19.930 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.875 -12.352 -21.009 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.543 -12.259 -19.263 1.00 0.00 H new ATOM 88 N ALA A 15 26.875 -10.723 -21.921 1.00 0.00 N ATOM 89 CA ALA A 15 27.108 -9.993 -23.194 1.00 0.00 C ATOM 90 C ALA A 15 28.068 -10.790 -24.076 1.00 0.00 C ATOM 91 O ALA A 15 29.225 -10.970 -23.753 1.00 0.00 O ATOM 92 CB ALA A 15 27.713 -8.620 -22.893 1.00 0.00 C ATOM 0 H ALA A 15 27.094 -10.199 -21.074 1.00 0.00 H new ATOM 0 HA ALA A 15 26.159 -9.866 -23.715 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.884 -8.085 -23.827 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.026 -8.049 -22.268 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.660 -8.747 -22.369 1.00 0.00 H new ATOM 98 N LEU A 16 27.600 -11.248 -25.203 1.00 0.00 N ATOM 99 CA LEU A 16 28.487 -12.007 -26.123 1.00 0.00 C ATOM 100 C LEU A 16 29.171 -11.002 -27.044 1.00 0.00 C ATOM 101 O LEU A 16 30.261 -11.220 -27.532 1.00 0.00 O ATOM 102 CB LEU A 16 27.659 -12.992 -26.951 1.00 0.00 C ATOM 103 CG LEU A 16 27.128 -14.102 -26.042 1.00 0.00 C ATOM 104 CD1 LEU A 16 25.993 -14.844 -26.750 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.258 -15.084 -25.725 1.00 0.00 C ATOM 0 H LEU A 16 26.640 -11.129 -25.526 1.00 0.00 H new ATOM 0 HA LEU A 16 29.228 -12.572 -25.558 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.830 -12.473 -27.431 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.270 -13.419 -27.746 1.00 0.00 H new ATOM 0 HG LEU A 16 26.754 -13.665 -25.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.615 -15.635 -26.102 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.188 -14.145 -26.977 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.366 -15.281 -27.676 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.881 -15.876 -25.077 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.632 -15.520 -26.651 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.067 -14.557 -25.220 1.00 0.00 H new ATOM 117 N TYR A 17 28.527 -9.891 -27.268 1.00 0.00 N ATOM 118 CA TYR A 17 29.109 -8.839 -28.140 1.00 0.00 C ATOM 119 C TYR A 17 28.870 -7.475 -27.491 1.00 0.00 C ATOM 120 O TYR A 17 27.814 -7.219 -26.948 1.00 0.00 O ATOM 121 CB TYR A 17 28.420 -8.876 -29.507 1.00 0.00 C ATOM 122 CG TYR A 17 28.791 -10.151 -30.225 1.00 0.00 C ATOM 123 CD1 TYR A 17 30.057 -10.283 -30.808 1.00 0.00 C ATOM 124 CD2 TYR A 17 27.869 -11.200 -30.308 1.00 0.00 C ATOM 125 CE1 TYR A 17 30.401 -11.465 -31.475 1.00 0.00 C ATOM 126 CE2 TYR A 17 28.213 -12.383 -30.974 1.00 0.00 C ATOM 127 CZ TYR A 17 29.479 -12.514 -31.557 1.00 0.00 C ATOM 128 OH TYR A 17 29.818 -13.680 -32.214 1.00 0.00 O ATOM 0 H TYR A 17 27.611 -9.667 -26.878 1.00 0.00 H new ATOM 0 HA TYR A 17 30.178 -9.010 -28.267 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.339 -8.818 -29.382 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.719 -8.012 -30.100 1.00 0.00 H new ATOM 0 HD1 TYR A 17 30.768 -9.473 -30.743 1.00 0.00 H new ATOM 0 HD2 TYR A 17 26.892 -11.098 -29.859 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.377 -11.567 -31.926 1.00 0.00 H new ATOM 0 HE2 TYR A 17 27.502 -13.194 -31.038 1.00 0.00 H new ATOM 0 HH TYR A 17 29.065 -14.307 -32.178 1.00 0.00 H new ATOM 138 N PRO A 18 29.863 -6.581 -27.553 1.00 0.00 N ATOM 139 CA PRO A 18 29.754 -5.233 -26.976 1.00 0.00 C ATOM 140 C PRO A 18 28.633 -4.428 -27.640 1.00 0.00 C ATOM 141 O PRO A 18 28.406 -4.526 -28.831 1.00 0.00 O ATOM 142 CB PRO A 18 31.122 -4.612 -27.270 1.00 0.00 C ATOM 143 CG PRO A 18 31.627 -5.386 -28.439 1.00 0.00 C ATOM 144 CD PRO A 18 31.169 -6.794 -28.193 1.00 0.00 C ATOM 0 HA PRO A 18 29.508 -5.248 -25.914 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.037 -3.550 -27.501 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.792 -4.699 -26.414 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.225 -4.997 -29.375 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.713 -5.330 -28.511 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.082 -7.363 -29.119 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.856 -7.340 -27.547 1.00 0.00 H new ATOM 152 N TYR A 19 27.924 -3.643 -26.876 1.00 0.00 N ATOM 153 CA TYR A 19 26.809 -2.844 -27.458 1.00 0.00 C ATOM 154 C TYR A 19 26.875 -1.408 -26.948 1.00 0.00 C ATOM 155 O TYR A 19 26.897 -1.165 -25.758 1.00 0.00 O ATOM 156 CB TYR A 19 25.474 -3.450 -27.030 1.00 0.00 C ATOM 157 CG TYR A 19 24.366 -2.860 -27.872 1.00 0.00 C ATOM 158 CD1 TYR A 19 24.246 -3.222 -29.217 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.458 -1.955 -27.306 1.00 0.00 C ATOM 160 CE1 TYR A 19 23.219 -2.682 -30.000 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.429 -1.415 -28.089 1.00 0.00 C ATOM 162 CZ TYR A 19 22.309 -1.779 -29.436 1.00 0.00 C ATOM 163 OH TYR A 19 21.296 -1.248 -30.208 1.00 0.00 O ATOM 0 H TYR A 19 28.069 -3.520 -25.874 1.00 0.00 H new ATOM 0 HA TYR A 19 26.898 -2.853 -28.544 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.499 -4.533 -27.148 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.291 -3.248 -25.975 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.947 -3.919 -29.652 1.00 0.00 H new ATOM 0 HD2 TYR A 19 23.551 -1.674 -26.267 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.128 -2.962 -31.039 1.00 0.00 H new ATOM 0 HE2 TYR A 19 21.728 -0.718 -27.654 1.00 0.00 H new ATOM 0 HH TYR A 19 20.441 -1.348 -29.740 1.00 0.00 H new ATOM 173 N ASP A 20 26.896 -0.451 -27.829 1.00 0.00 N ATOM 174 CA ASP A 20 26.946 0.964 -27.372 1.00 0.00 C ATOM 175 C ASP A 20 25.554 1.578 -27.521 1.00 0.00 C ATOM 176 O ASP A 20 25.071 1.784 -28.616 1.00 0.00 O ATOM 177 CB ASP A 20 27.957 1.749 -28.210 1.00 0.00 C ATOM 178 CG ASP A 20 27.897 1.269 -29.661 1.00 0.00 C ATOM 179 OD1 ASP A 20 28.573 0.303 -29.974 1.00 0.00 O ATOM 180 OD2 ASP A 20 27.176 1.876 -30.436 1.00 0.00 O ATOM 0 H ASP A 20 26.881 -0.585 -28.840 1.00 0.00 H new ATOM 0 HA ASP A 20 27.257 1.004 -26.328 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.738 2.816 -28.159 1.00 0.00 H new ATOM 0 HB3 ASP A 20 28.962 1.611 -27.811 1.00 0.00 H new ATOM 185 N GLY A 21 24.907 1.855 -26.420 1.00 0.00 N ATOM 186 CA GLY A 21 23.535 2.444 -26.462 1.00 0.00 C ATOM 187 C GLY A 21 23.331 3.233 -27.757 1.00 0.00 C ATOM 188 O GLY A 21 23.625 4.410 -27.831 1.00 0.00 O ATOM 0 H GLY A 21 25.275 1.696 -25.482 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.790 1.651 -26.391 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.387 3.099 -25.603 1.00 0.00 H new ATOM 192 N ILE A 22 22.820 2.596 -28.776 1.00 0.00 N ATOM 193 CA ILE A 22 22.588 3.316 -30.060 1.00 0.00 C ATOM 194 C ILE A 22 21.153 3.842 -30.075 1.00 0.00 C ATOM 195 O ILE A 22 20.786 4.661 -30.894 1.00 0.00 O ATOM 196 CB ILE A 22 22.797 2.356 -31.233 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.093 1.570 -31.026 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.889 3.156 -32.534 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.430 0.796 -32.302 1.00 0.00 C ATOM 0 H ILE A 22 22.554 1.611 -28.775 1.00 0.00 H new ATOM 0 HA ILE A 22 23.288 4.146 -30.152 1.00 0.00 H new ATOM 0 HB ILE A 22 21.958 1.663 -31.289 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.907 2.250 -30.775 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.983 0.881 -30.188 1.00 0.00 H new ATOM 0 HG21 ILE A 22 23.038 2.474 -33.371 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.966 3.716 -32.683 1.00 0.00 H new ATOM 0 HG23 ILE A 22 23.729 3.849 -32.477 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.353 0.236 -32.155 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.619 0.105 -32.533 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.558 1.495 -33.129 1.00 0.00 H new ATOM 211 N HIS A 23 20.343 3.376 -29.164 1.00 0.00 N ATOM 212 CA HIS A 23 18.930 3.840 -29.104 1.00 0.00 C ATOM 213 C HIS A 23 18.715 4.607 -27.797 1.00 0.00 C ATOM 214 O HIS A 23 19.589 4.670 -26.956 1.00 0.00 O ATOM 215 CB HIS A 23 17.994 2.631 -29.149 1.00 0.00 C ATOM 216 CG HIS A 23 17.337 2.556 -30.500 1.00 0.00 C ATOM 217 ND1 HIS A 23 17.522 1.477 -31.352 1.00 0.00 N ATOM 218 CD2 HIS A 23 16.497 3.417 -31.162 1.00 0.00 C ATOM 219 CE1 HIS A 23 16.807 1.715 -32.467 1.00 0.00 C ATOM 220 NE2 HIS A 23 16.163 2.884 -32.403 1.00 0.00 N ATOM 0 H HIS A 23 20.602 2.690 -28.455 1.00 0.00 H new ATOM 0 HA HIS A 23 18.717 4.490 -29.952 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.554 1.716 -28.954 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.237 2.714 -28.369 1.00 0.00 H new ATOM 0 HD2 HIS A 23 16.148 4.364 -30.778 1.00 0.00 H new ATOM 0 HE1 HIS A 23 16.759 1.043 -33.311 1.00 0.00 H new ATOM 0 HE2 HIS A 23 15.557 3.297 -33.112 1.00 0.00 H new ATOM 228 N PRO A 24 17.528 5.203 -27.628 1.00 0.00 N ATOM 229 CA PRO A 24 17.198 5.969 -26.421 1.00 0.00 C ATOM 230 C PRO A 24 17.010 5.064 -25.199 1.00 0.00 C ATOM 231 O PRO A 24 17.296 5.447 -24.082 1.00 0.00 O ATOM 232 CB PRO A 24 15.877 6.648 -26.777 1.00 0.00 C ATOM 233 CG PRO A 24 15.272 5.773 -27.824 1.00 0.00 C ATOM 234 CD PRO A 24 16.418 5.179 -28.595 1.00 0.00 C ATOM 0 HA PRO A 24 17.992 6.665 -26.152 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.227 6.731 -25.906 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.039 7.659 -27.151 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.662 4.991 -27.372 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.619 6.348 -28.480 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.196 4.165 -28.927 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.649 5.763 -29.486 1.00 0.00 H new ATOM 242 N ASP A 25 16.521 3.872 -25.399 1.00 0.00 N ATOM 243 CA ASP A 25 16.306 2.953 -24.244 1.00 0.00 C ATOM 244 C ASP A 25 17.271 1.766 -24.323 1.00 0.00 C ATOM 245 O ASP A 25 17.383 0.986 -23.398 1.00 0.00 O ATOM 246 CB ASP A 25 14.866 2.434 -24.275 1.00 0.00 C ATOM 247 CG ASP A 25 13.988 3.311 -23.380 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.542 4.055 -22.587 1.00 0.00 O ATOM 249 OD2 ASP A 25 12.778 3.225 -23.503 1.00 0.00 O ATOM 0 H ASP A 25 16.261 3.494 -26.310 1.00 0.00 H new ATOM 0 HA ASP A 25 16.488 3.498 -23.318 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.487 2.444 -25.297 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.834 1.400 -23.933 1.00 0.00 H new ATOM 254 N ASP A 26 17.962 1.612 -25.420 1.00 0.00 N ATOM 255 CA ASP A 26 18.905 0.466 -25.549 1.00 0.00 C ATOM 256 C ASP A 26 19.969 0.542 -24.451 1.00 0.00 C ATOM 257 O ASP A 26 20.636 1.545 -24.294 1.00 0.00 O ATOM 258 CB ASP A 26 19.591 0.528 -26.914 1.00 0.00 C ATOM 259 CG ASP A 26 19.025 -0.567 -27.819 1.00 0.00 C ATOM 260 OD1 ASP A 26 17.996 -0.330 -28.431 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.630 -1.625 -27.886 1.00 0.00 O ATOM 0 H ASP A 26 17.914 2.229 -26.231 1.00 0.00 H new ATOM 0 HA ASP A 26 18.350 -0.467 -25.452 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.434 1.507 -27.368 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.667 0.399 -26.798 1.00 0.00 H new ATOM 266 N LEU A 27 20.147 -0.511 -23.700 1.00 0.00 N ATOM 267 CA LEU A 27 21.184 -0.490 -22.631 1.00 0.00 C ATOM 268 C LEU A 27 22.515 -0.931 -23.246 1.00 0.00 C ATOM 269 O LEU A 27 22.570 -1.859 -24.027 1.00 0.00 O ATOM 270 CB LEU A 27 20.764 -1.441 -21.500 1.00 0.00 C ATOM 271 CG LEU A 27 21.972 -1.841 -20.644 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.777 -2.925 -21.364 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.858 -0.620 -20.388 1.00 0.00 C ATOM 0 H LEU A 27 19.621 -1.381 -23.780 1.00 0.00 H new ATOM 0 HA LEU A 27 21.293 0.511 -22.215 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.013 -0.959 -20.874 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.301 -2.333 -21.922 1.00 0.00 H new ATOM 0 HG LEU A 27 21.620 -2.230 -19.688 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.635 -3.207 -20.753 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.146 -3.798 -21.529 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.125 -2.543 -22.324 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.714 -0.913 -19.779 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.209 -0.219 -21.339 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.283 0.143 -19.863 1.00 0.00 H new ATOM 285 N SER A 28 23.584 -0.264 -22.914 1.00 0.00 N ATOM 286 CA SER A 28 24.908 -0.633 -23.494 1.00 0.00 C ATOM 287 C SER A 28 25.580 -1.715 -22.645 1.00 0.00 C ATOM 288 O SER A 28 25.576 -1.661 -21.431 1.00 0.00 O ATOM 289 CB SER A 28 25.805 0.606 -23.525 1.00 0.00 C ATOM 290 OG SER A 28 25.046 1.729 -23.953 1.00 0.00 O ATOM 0 H SER A 28 23.600 0.523 -22.265 1.00 0.00 H new ATOM 0 HA SER A 28 24.757 -1.016 -24.503 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.222 0.791 -22.535 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.646 0.443 -24.200 1.00 0.00 H new ATOM 0 HG SER A 28 25.619 2.524 -23.972 1.00 0.00 H new ATOM 296 N PHE A 29 26.176 -2.687 -23.279 1.00 0.00 N ATOM 297 CA PHE A 29 26.872 -3.762 -22.518 1.00 0.00 C ATOM 298 C PHE A 29 28.160 -4.131 -23.253 1.00 0.00 C ATOM 299 O PHE A 29 28.248 -4.015 -24.459 1.00 0.00 O ATOM 300 CB PHE A 29 25.970 -4.995 -22.394 1.00 0.00 C ATOM 301 CG PHE A 29 25.262 -5.264 -23.702 1.00 0.00 C ATOM 302 CD1 PHE A 29 24.042 -4.637 -23.981 1.00 0.00 C ATOM 303 CD2 PHE A 29 25.819 -6.156 -24.628 1.00 0.00 C ATOM 304 CE1 PHE A 29 23.378 -4.901 -25.185 1.00 0.00 C ATOM 305 CE2 PHE A 29 25.156 -6.417 -25.834 1.00 0.00 C ATOM 306 CZ PHE A 29 23.935 -5.791 -26.111 1.00 0.00 C ATOM 0 H PHE A 29 26.211 -2.783 -24.294 1.00 0.00 H new ATOM 0 HA PHE A 29 27.106 -3.405 -21.515 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.566 -5.862 -22.111 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.237 -4.839 -21.602 1.00 0.00 H new ATOM 0 HD1 PHE A 29 23.613 -3.949 -23.267 1.00 0.00 H new ATOM 0 HD2 PHE A 29 26.759 -6.642 -24.412 1.00 0.00 H new ATOM 0 HE1 PHE A 29 22.436 -4.418 -25.399 1.00 0.00 H new ATOM 0 HE2 PHE A 29 25.587 -7.101 -26.550 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.422 -5.995 -27.040 1.00 0.00 H new ATOM 316 N LYS A 30 29.166 -4.561 -22.543 1.00 0.00 N ATOM 317 CA LYS A 30 30.445 -4.918 -23.217 1.00 0.00 C ATOM 318 C LYS A 30 30.632 -6.432 -23.190 1.00 0.00 C ATOM 319 O LYS A 30 30.370 -7.075 -22.193 1.00 0.00 O ATOM 320 CB LYS A 30 31.607 -4.253 -22.477 1.00 0.00 C ATOM 321 CG LYS A 30 32.667 -3.807 -23.486 1.00 0.00 C ATOM 322 CD LYS A 30 33.903 -4.700 -23.354 1.00 0.00 C ATOM 323 CE LYS A 30 34.416 -5.068 -24.748 1.00 0.00 C ATOM 324 NZ LYS A 30 35.512 -4.136 -25.136 1.00 0.00 N ATOM 0 H LYS A 30 29.158 -4.680 -21.530 1.00 0.00 H new ATOM 0 HA LYS A 30 30.420 -4.574 -24.251 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.247 -3.395 -21.909 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.042 -4.950 -21.761 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.268 -3.866 -24.499 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.937 -2.766 -23.310 1.00 0.00 H new ATOM 0 HD2 LYS A 30 34.681 -4.182 -22.793 1.00 0.00 H new ATOM 0 HD3 LYS A 30 33.655 -5.603 -22.796 1.00 0.00 H new ATOM 0 HE2 LYS A 30 34.779 -6.096 -24.754 1.00 0.00 H new ATOM 0 HE3 LYS A 30 33.604 -5.013 -25.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 35.861 -4.386 -26.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 35.151 -3.161 -25.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 36.290 -4.210 -24.450 1.00 0.00 H new ATOM 338 N LYS A 31 31.091 -7.013 -24.267 1.00 0.00 N ATOM 339 CA LYS A 31 31.297 -8.486 -24.269 1.00 0.00 C ATOM 340 C LYS A 31 31.925 -8.884 -22.934 1.00 0.00 C ATOM 341 O LYS A 31 32.607 -8.102 -22.302 1.00 0.00 O ATOM 342 CB LYS A 31 32.226 -8.891 -25.413 1.00 0.00 C ATOM 343 CG LYS A 31 33.487 -8.026 -25.379 1.00 0.00 C ATOM 344 CD LYS A 31 34.719 -8.910 -25.585 1.00 0.00 C ATOM 345 CE LYS A 31 34.767 -9.388 -27.038 1.00 0.00 C ATOM 346 NZ LYS A 31 36.125 -9.923 -27.339 1.00 0.00 N ATOM 0 H LYS A 31 31.329 -6.535 -25.136 1.00 0.00 H new ATOM 0 HA LYS A 31 30.341 -8.991 -24.406 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.492 -9.944 -25.323 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.716 -8.771 -26.369 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.439 -7.264 -26.157 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.557 -7.504 -24.425 1.00 0.00 H new ATOM 0 HD2 LYS A 31 35.624 -8.352 -25.344 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.683 -9.766 -24.911 1.00 0.00 H new ATOM 0 HE2 LYS A 31 34.015 -10.160 -27.203 1.00 0.00 H new ATOM 0 HE3 LYS A 31 34.531 -8.564 -27.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 36.159 -10.248 -28.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 36.833 -9.174 -27.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 36.332 -10.720 -26.704 1.00 0.00 H new ATOM 360 N GLY A 32 31.690 -10.086 -22.492 1.00 0.00 N ATOM 361 CA GLY A 32 32.264 -10.520 -21.186 1.00 0.00 C ATOM 362 C GLY A 32 31.413 -9.957 -20.039 1.00 0.00 C ATOM 363 O GLY A 32 31.484 -10.417 -18.918 1.00 0.00 O ATOM 0 H GLY A 32 31.127 -10.786 -22.975 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.291 -11.608 -21.132 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.293 -10.171 -21.095 1.00 0.00 H new ATOM 367 N GLU A 33 30.607 -8.962 -20.313 1.00 0.00 N ATOM 368 CA GLU A 33 29.753 -8.370 -19.241 1.00 0.00 C ATOM 369 C GLU A 33 28.495 -9.222 -19.055 1.00 0.00 C ATOM 370 O GLU A 33 28.020 -9.859 -19.973 1.00 0.00 O ATOM 371 CB GLU A 33 29.355 -6.945 -19.629 1.00 0.00 C ATOM 372 CG GLU A 33 29.081 -6.128 -18.364 1.00 0.00 C ATOM 373 CD GLU A 33 27.757 -5.377 -18.518 1.00 0.00 C ATOM 374 OE1 GLU A 33 26.727 -6.031 -18.545 1.00 0.00 O ATOM 375 OE2 GLU A 33 27.795 -4.161 -18.607 1.00 0.00 O ATOM 0 H GLU A 33 30.504 -8.535 -21.233 1.00 0.00 H new ATOM 0 HA GLU A 33 30.314 -8.346 -18.307 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.151 -6.479 -20.210 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.468 -6.964 -20.262 1.00 0.00 H new ATOM 0 HG2 GLU A 33 29.039 -6.785 -17.496 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.894 -5.422 -18.191 1.00 0.00 H new ATOM 382 N LYS A 34 27.960 -9.243 -17.861 1.00 0.00 N ATOM 383 CA LYS A 34 26.738 -10.057 -17.595 1.00 0.00 C ATOM 384 C LYS A 34 25.520 -9.140 -17.479 1.00 0.00 C ATOM 385 O LYS A 34 25.602 -8.030 -16.989 1.00 0.00 O ATOM 386 CB LYS A 34 26.917 -10.831 -16.287 1.00 0.00 C ATOM 387 CG LYS A 34 27.629 -12.155 -16.571 1.00 0.00 C ATOM 388 CD LYS A 34 26.599 -13.285 -16.631 1.00 0.00 C ATOM 389 CE LYS A 34 27.272 -14.609 -16.268 1.00 0.00 C ATOM 390 NZ LYS A 34 26.387 -15.741 -16.664 1.00 0.00 N ATOM 0 H LYS A 34 28.319 -8.729 -17.056 1.00 0.00 H new ATOM 0 HA LYS A 34 26.586 -10.756 -18.417 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.496 -10.239 -15.578 1.00 0.00 H new ATOM 0 HB3 LYS A 34 25.947 -11.019 -15.827 1.00 0.00 H new ATOM 0 HG2 LYS A 34 28.172 -12.093 -17.514 1.00 0.00 H new ATOM 0 HG3 LYS A 34 28.364 -12.359 -15.792 1.00 0.00 H new ATOM 0 HD2 LYS A 34 25.779 -13.081 -15.942 1.00 0.00 H new ATOM 0 HD3 LYS A 34 26.168 -13.346 -17.630 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.234 -14.691 -16.774 1.00 0.00 H new ATOM 0 HE3 LYS A 34 27.471 -14.646 -15.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 26.844 -16.642 -16.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.480 -15.664 -16.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 26.219 -15.708 -17.690 1.00 0.00 H new ATOM 404 N MET A 35 24.391 -9.601 -17.935 1.00 0.00 N ATOM 405 CA MET A 35 23.150 -8.780 -17.873 1.00 0.00 C ATOM 406 C MET A 35 21.976 -9.652 -17.433 1.00 0.00 C ATOM 407 O MET A 35 21.956 -10.848 -17.646 1.00 0.00 O ATOM 408 CB MET A 35 22.840 -8.217 -19.257 1.00 0.00 C ATOM 409 CG MET A 35 23.462 -6.827 -19.400 1.00 0.00 C ATOM 410 SD MET A 35 23.243 -6.237 -21.097 1.00 0.00 S ATOM 411 CE MET A 35 23.866 -7.713 -21.937 1.00 0.00 C ATOM 0 H MET A 35 24.273 -10.524 -18.354 1.00 0.00 H new ATOM 0 HA MET A 35 23.299 -7.968 -17.161 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.232 -8.882 -20.027 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.761 -8.160 -19.404 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.995 -6.134 -18.700 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.523 -6.864 -19.151 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.106 -7.469 -22.972 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.764 -8.068 -21.431 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.105 -8.493 -21.915 1.00 0.00 H new ATOM 421 N LYS A 36 20.993 -9.047 -16.834 1.00 0.00 N ATOM 422 CA LYS A 36 19.796 -9.811 -16.384 1.00 0.00 C ATOM 423 C LYS A 36 18.576 -9.265 -17.122 1.00 0.00 C ATOM 424 O LYS A 36 18.378 -8.070 -17.202 1.00 0.00 O ATOM 425 CB LYS A 36 19.608 -9.636 -14.877 1.00 0.00 C ATOM 426 CG LYS A 36 18.234 -10.170 -14.469 1.00 0.00 C ATOM 427 CD LYS A 36 17.948 -9.788 -13.015 1.00 0.00 C ATOM 428 CE LYS A 36 17.455 -11.020 -12.253 1.00 0.00 C ATOM 429 NZ LYS A 36 17.242 -10.665 -10.822 1.00 0.00 N ATOM 0 H LYS A 36 20.965 -8.047 -16.634 1.00 0.00 H new ATOM 0 HA LYS A 36 19.924 -10.872 -16.600 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.392 -10.168 -14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.695 -8.583 -14.609 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.464 -9.759 -15.122 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.205 -11.254 -14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.850 -9.394 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.198 -8.998 -12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.526 -11.384 -12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.183 -11.827 -12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.907 -11.502 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.138 -10.337 -10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.532 -9.908 -10.754 1.00 0.00 H new ATOM 443 N VAL A 37 17.763 -10.119 -17.679 1.00 0.00 N ATOM 444 CA VAL A 37 16.578 -9.612 -18.425 1.00 0.00 C ATOM 445 C VAL A 37 15.336 -9.635 -17.531 1.00 0.00 C ATOM 446 O VAL A 37 14.928 -10.669 -17.041 1.00 0.00 O ATOM 447 CB VAL A 37 16.335 -10.483 -19.658 1.00 0.00 C ATOM 448 CG1 VAL A 37 15.779 -9.618 -20.788 1.00 0.00 C ATOM 449 CG2 VAL A 37 17.652 -11.123 -20.105 1.00 0.00 C ATOM 0 H VAL A 37 17.865 -11.133 -17.651 1.00 0.00 H new ATOM 0 HA VAL A 37 16.772 -8.585 -18.734 1.00 0.00 H new ATOM 0 HB VAL A 37 15.619 -11.267 -19.412 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.605 -10.237 -21.668 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.839 -9.165 -20.471 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.495 -8.834 -21.032 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.475 -11.743 -20.984 1.00 0.00 H new ATOM 0 HG22 VAL A 37 18.371 -10.342 -20.351 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.048 -11.741 -19.299 1.00 0.00 H new ATOM 459 N LEU A 38 14.729 -8.498 -17.327 1.00 0.00 N ATOM 460 CA LEU A 38 13.506 -8.444 -16.477 1.00 0.00 C ATOM 461 C LEU A 38 12.292 -8.837 -17.323 1.00 0.00 C ATOM 462 O LEU A 38 11.382 -9.494 -16.857 1.00 0.00 O ATOM 463 CB LEU A 38 13.319 -7.023 -15.941 1.00 0.00 C ATOM 464 CG LEU A 38 14.669 -6.469 -15.481 1.00 0.00 C ATOM 465 CD1 LEU A 38 14.610 -4.941 -15.446 1.00 0.00 C ATOM 466 CD2 LEU A 38 14.987 -6.999 -14.081 1.00 0.00 C ATOM 0 H LEU A 38 15.028 -7.602 -17.713 1.00 0.00 H new ATOM 0 HA LEU A 38 13.609 -9.133 -15.639 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.896 -6.383 -16.716 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.613 -7.026 -15.110 1.00 0.00 H new ATOM 0 HG LEU A 38 15.447 -6.786 -16.176 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.572 -4.547 -15.118 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.384 -4.563 -16.443 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.832 -4.623 -14.752 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.949 -6.605 -13.752 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.209 -6.682 -13.387 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.030 -8.088 -14.105 1.00 0.00 H new ATOM 478 N GLU A 39 12.279 -8.448 -18.570 1.00 0.00 N ATOM 479 CA GLU A 39 11.137 -8.804 -19.456 1.00 0.00 C ATOM 480 C GLU A 39 11.691 -9.448 -20.726 1.00 0.00 C ATOM 481 O GLU A 39 12.607 -8.936 -21.335 1.00 0.00 O ATOM 482 CB GLU A 39 10.352 -7.543 -19.818 1.00 0.00 C ATOM 483 CG GLU A 39 8.905 -7.687 -19.340 1.00 0.00 C ATOM 484 CD GLU A 39 7.964 -7.657 -20.546 1.00 0.00 C ATOM 485 OE1 GLU A 39 7.903 -6.628 -21.198 1.00 0.00 O ATOM 486 OE2 GLU A 39 7.322 -8.663 -20.796 1.00 0.00 O ATOM 0 H GLU A 39 13.014 -7.897 -19.013 1.00 0.00 H new ATOM 0 HA GLU A 39 10.471 -9.499 -18.945 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.813 -6.670 -19.357 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.376 -7.384 -20.896 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.783 -8.622 -18.793 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.656 -6.880 -18.651 1.00 0.00 H new ATOM 493 N GLU A 40 11.155 -10.566 -21.129 1.00 0.00 N ATOM 494 CA GLU A 40 11.677 -11.234 -22.355 1.00 0.00 C ATOM 495 C GLU A 40 10.617 -11.196 -23.457 1.00 0.00 C ATOM 496 O GLU A 40 9.715 -12.009 -23.473 1.00 0.00 O ATOM 497 CB GLU A 40 12.005 -12.694 -22.025 1.00 0.00 C ATOM 498 CG GLU A 40 11.974 -13.540 -23.302 1.00 0.00 C ATOM 499 CD GLU A 40 10.691 -14.373 -23.333 1.00 0.00 C ATOM 500 OE1 GLU A 40 10.123 -14.589 -22.274 1.00 0.00 O ATOM 501 OE2 GLU A 40 10.297 -14.779 -24.413 1.00 0.00 O ATOM 0 H GLU A 40 10.382 -11.044 -20.666 1.00 0.00 H new ATOM 0 HA GLU A 40 12.573 -10.716 -22.698 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.989 -12.758 -21.560 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.286 -13.083 -21.304 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.022 -12.895 -24.179 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.845 -14.194 -23.339 1.00 0.00 H new ATOM 508 N HIS A 41 10.696 -10.281 -24.383 1.00 0.00 N ATOM 509 CA HIS A 41 9.667 -10.251 -25.456 1.00 0.00 C ATOM 510 C HIS A 41 9.952 -11.378 -26.449 1.00 0.00 C ATOM 511 O HIS A 41 10.604 -12.350 -26.124 1.00 0.00 O ATOM 512 CB HIS A 41 9.719 -8.903 -26.178 1.00 0.00 C ATOM 513 CG HIS A 41 9.457 -7.796 -25.193 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.185 -7.297 -24.965 1.00 0.00 N ATOM 515 CD2 HIS A 41 10.294 -7.083 -24.370 1.00 0.00 C ATOM 516 CE1 HIS A 41 8.291 -6.327 -24.038 1.00 0.00 C ATOM 517 NE2 HIS A 41 9.555 -6.156 -23.642 1.00 0.00 N ATOM 0 H HIS A 41 11.418 -9.563 -24.443 1.00 0.00 H new ATOM 0 HA HIS A 41 8.676 -10.385 -25.022 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.694 -8.766 -26.645 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.977 -8.877 -26.976 1.00 0.00 H new ATOM 0 HD2 HIS A 41 11.363 -7.221 -24.299 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.456 -5.756 -23.660 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.904 -5.489 -22.954 1.00 0.00 H new ATOM 525 N GLY A 42 9.468 -11.265 -27.654 1.00 0.00 N ATOM 526 CA GLY A 42 9.715 -12.341 -28.652 1.00 0.00 C ATOM 527 C GLY A 42 10.759 -11.880 -29.668 1.00 0.00 C ATOM 528 O GLY A 42 10.613 -12.083 -30.856 1.00 0.00 O ATOM 0 H GLY A 42 8.914 -10.477 -27.990 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.060 -13.244 -28.148 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.786 -12.596 -29.162 1.00 0.00 H new ATOM 532 N GLU A 43 11.814 -11.262 -29.214 1.00 0.00 N ATOM 533 CA GLU A 43 12.867 -10.791 -30.157 1.00 0.00 C ATOM 534 C GLU A 43 13.755 -9.768 -29.446 1.00 0.00 C ATOM 535 O GLU A 43 14.960 -9.751 -29.609 1.00 0.00 O ATOM 536 CB GLU A 43 12.210 -10.137 -31.375 1.00 0.00 C ATOM 537 CG GLU A 43 12.501 -10.973 -32.622 1.00 0.00 C ATOM 538 CD GLU A 43 12.165 -10.158 -33.873 1.00 0.00 C ATOM 539 OE1 GLU A 43 13.032 -9.438 -34.338 1.00 0.00 O ATOM 540 OE2 GLU A 43 11.045 -10.269 -34.344 1.00 0.00 O ATOM 0 H GLU A 43 11.993 -11.063 -28.230 1.00 0.00 H new ATOM 0 HA GLU A 43 13.470 -11.638 -30.485 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.134 -10.056 -31.221 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.590 -9.124 -31.506 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.550 -11.268 -32.638 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.912 -11.890 -32.604 1.00 0.00 H new ATOM 547 N TRP A 44 13.164 -8.911 -28.662 1.00 0.00 N ATOM 548 CA TRP A 44 13.959 -7.877 -27.937 1.00 0.00 C ATOM 549 C TRP A 44 13.542 -7.838 -26.464 1.00 0.00 C ATOM 550 O TRP A 44 12.390 -7.641 -26.138 1.00 0.00 O ATOM 551 CB TRP A 44 13.707 -6.509 -28.573 1.00 0.00 C ATOM 552 CG TRP A 44 14.722 -6.264 -29.644 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.769 -6.911 -30.831 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.832 -5.320 -29.646 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.838 -6.424 -31.562 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.523 -5.442 -30.874 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.300 -4.378 -28.712 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.640 -4.659 -31.165 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.425 -3.588 -29.002 1.00 0.00 C ATOM 560 CH2 TRP A 44 18.094 -3.729 -30.227 1.00 0.00 C ATOM 0 H TRP A 44 12.159 -8.881 -28.490 1.00 0.00 H new ATOM 0 HA TRP A 44 15.018 -8.125 -28.003 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.702 -6.471 -28.994 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.765 -5.727 -27.816 1.00 0.00 H new ATOM 0 HD1 TRP A 44 14.085 -7.681 -31.155 1.00 0.00 H new ATOM 0 HE1 TRP A 44 16.089 -6.750 -32.495 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.791 -4.261 -27.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 18.151 -4.771 -32.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.777 -2.868 -28.278 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.959 -3.119 -30.444 1.00 0.00 H new ATOM 571 N TRP A 45 14.481 -8.019 -25.572 1.00 0.00 N ATOM 572 CA TRP A 45 14.149 -7.987 -24.117 1.00 0.00 C ATOM 573 C TRP A 45 14.853 -6.805 -23.451 1.00 0.00 C ATOM 574 O TRP A 45 15.732 -6.187 -24.018 1.00 0.00 O ATOM 575 CB TRP A 45 14.632 -9.267 -23.432 1.00 0.00 C ATOM 576 CG TRP A 45 14.758 -10.388 -24.409 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.757 -10.878 -25.174 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.938 -11.180 -24.721 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.249 -11.924 -25.934 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.591 -12.146 -25.692 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.266 -11.151 -24.257 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.528 -13.054 -26.186 1.00 0.00 C ATOM 583 CZ3 TRP A 45 18.212 -12.063 -24.753 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.844 -13.013 -25.716 1.00 0.00 C ATOM 0 H TRP A 45 15.463 -8.188 -25.789 1.00 0.00 H new ATOM 0 HA TRP A 45 13.067 -7.895 -24.018 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.596 -9.086 -22.956 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.934 -9.546 -22.643 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.741 -10.513 -25.189 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.689 -12.465 -26.593 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.560 -10.423 -23.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.238 -13.784 -26.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 19.229 -12.032 -24.390 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.576 -13.712 -26.094 1.00 0.00 H new ATOM 595 N LYS A 46 14.484 -6.506 -22.235 1.00 0.00 N ATOM 596 CA LYS A 46 15.139 -5.388 -21.504 1.00 0.00 C ATOM 597 C LYS A 46 15.973 -5.983 -20.369 1.00 0.00 C ATOM 598 O LYS A 46 15.467 -6.685 -19.516 1.00 0.00 O ATOM 599 CB LYS A 46 14.077 -4.449 -20.930 1.00 0.00 C ATOM 600 CG LYS A 46 14.554 -3.002 -21.061 1.00 0.00 C ATOM 601 CD LYS A 46 13.738 -2.108 -20.126 1.00 0.00 C ATOM 602 CE LYS A 46 14.683 -1.349 -19.193 1.00 0.00 C ATOM 603 NZ LYS A 46 14.214 0.058 -19.046 1.00 0.00 N ATOM 0 H LYS A 46 13.753 -6.992 -21.715 1.00 0.00 H new ATOM 0 HA LYS A 46 15.776 -4.819 -22.181 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.134 -4.582 -21.460 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.891 -4.689 -19.883 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.613 -2.934 -20.814 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.445 -2.664 -22.091 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.141 -1.405 -20.707 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.042 -2.712 -19.544 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.717 -1.836 -18.218 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.697 -1.366 -19.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.857 0.574 -18.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.203 0.520 -19.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.254 0.064 -18.646 1.00 0.00 H new ATOM 617 N ALA A 47 17.248 -5.727 -20.363 1.00 0.00 N ATOM 618 CA ALA A 47 18.117 -6.301 -19.295 1.00 0.00 C ATOM 619 C ALA A 47 18.800 -5.187 -18.499 1.00 0.00 C ATOM 620 O ALA A 47 18.495 -4.020 -18.644 1.00 0.00 O ATOM 621 CB ALA A 47 19.185 -7.188 -19.937 1.00 0.00 C ATOM 0 H ALA A 47 17.729 -5.146 -21.050 1.00 0.00 H new ATOM 0 HA ALA A 47 17.498 -6.888 -18.617 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.823 -7.610 -19.160 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.704 -7.995 -20.489 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.791 -6.592 -20.620 1.00 0.00 H new ATOM 627 N LYS A 48 19.731 -5.554 -17.660 1.00 0.00 N ATOM 628 CA LYS A 48 20.457 -4.539 -16.842 1.00 0.00 C ATOM 629 C LYS A 48 21.927 -4.949 -16.729 1.00 0.00 C ATOM 630 O LYS A 48 22.258 -6.117 -16.772 1.00 0.00 O ATOM 631 CB LYS A 48 19.837 -4.465 -15.445 1.00 0.00 C ATOM 632 CG LYS A 48 20.441 -3.284 -14.683 1.00 0.00 C ATOM 633 CD LYS A 48 20.439 -3.589 -13.184 1.00 0.00 C ATOM 634 CE LYS A 48 19.020 -3.434 -12.634 1.00 0.00 C ATOM 635 NZ LYS A 48 18.446 -4.780 -12.355 1.00 0.00 N ATOM 0 H LYS A 48 20.022 -6.519 -17.505 1.00 0.00 H new ATOM 0 HA LYS A 48 20.382 -3.562 -17.318 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.756 -4.349 -15.521 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.021 -5.393 -14.904 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.459 -3.099 -15.026 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.868 -2.378 -14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.800 -4.602 -13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.118 -2.914 -12.664 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.035 -2.837 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.396 -2.903 -13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.481 -4.675 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.418 -5.335 -13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.037 -5.271 -11.655 1.00 0.00 H new ATOM 649 N SER A 49 22.815 -3.999 -16.593 1.00 0.00 N ATOM 650 CA SER A 49 24.261 -4.348 -16.493 1.00 0.00 C ATOM 651 C SER A 49 24.643 -4.560 -15.025 1.00 0.00 C ATOM 652 O SER A 49 24.417 -3.709 -14.188 1.00 0.00 O ATOM 653 CB SER A 49 25.101 -3.210 -17.076 1.00 0.00 C ATOM 654 OG SER A 49 26.472 -3.436 -16.786 1.00 0.00 O ATOM 0 H SER A 49 22.602 -3.002 -16.547 1.00 0.00 H new ATOM 0 HA SER A 49 24.448 -5.266 -17.051 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.952 -3.149 -18.154 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.782 -2.256 -16.656 1.00 0.00 H new ATOM 0 HG SER A 49 27.016 -3.185 -17.561 1.00 0.00 H new ATOM 660 N LEU A 50 25.218 -5.686 -14.703 1.00 0.00 N ATOM 661 CA LEU A 50 25.607 -5.938 -13.287 1.00 0.00 C ATOM 662 C LEU A 50 26.780 -5.027 -12.914 1.00 0.00 C ATOM 663 O LEU A 50 27.160 -4.923 -11.764 1.00 0.00 O ATOM 664 CB LEU A 50 26.023 -7.401 -13.122 1.00 0.00 C ATOM 665 CG LEU A 50 24.774 -8.268 -12.950 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.906 -9.527 -13.811 1.00 0.00 C ATOM 667 CD2 LEU A 50 24.630 -8.668 -11.480 1.00 0.00 C ATOM 0 H LEU A 50 25.434 -6.439 -15.356 1.00 0.00 H new ATOM 0 HA LEU A 50 24.760 -5.728 -12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.590 -7.730 -13.993 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.676 -7.509 -12.256 1.00 0.00 H new ATOM 0 HG LEU A 50 23.894 -7.705 -13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.017 -10.146 -13.690 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.010 -9.242 -14.858 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.785 -10.090 -13.499 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.740 -9.286 -11.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.509 -9.232 -11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.537 -7.772 -10.866 1.00 0.00 H new ATOM 679 N LEU A 51 27.359 -4.368 -13.883 1.00 0.00 N ATOM 680 CA LEU A 51 28.511 -3.465 -13.596 1.00 0.00 C ATOM 681 C LEU A 51 27.998 -2.106 -13.120 1.00 0.00 C ATOM 682 O LEU A 51 28.327 -1.647 -12.044 1.00 0.00 O ATOM 683 CB LEU A 51 29.336 -3.278 -14.871 1.00 0.00 C ATOM 684 CG LEU A 51 30.727 -2.754 -14.504 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.467 -3.809 -13.679 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.515 -2.462 -15.782 1.00 0.00 C ATOM 0 H LEU A 51 27.082 -4.417 -14.864 1.00 0.00 H new ATOM 0 HA LEU A 51 29.131 -3.908 -12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.421 -4.225 -15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.837 -2.578 -15.541 1.00 0.00 H new ATOM 0 HG LEU A 51 30.629 -1.839 -13.920 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.458 -3.437 -13.417 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.906 -4.018 -12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.566 -4.724 -14.263 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.505 -2.089 -15.521 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.614 -3.377 -16.366 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.988 -1.711 -16.371 1.00 0.00 H new ATOM 698 N THR A 52 27.194 -1.458 -13.914 1.00 0.00 N ATOM 699 CA THR A 52 26.659 -0.126 -13.510 1.00 0.00 C ATOM 700 C THR A 52 25.167 -0.252 -13.197 1.00 0.00 C ATOM 701 O THR A 52 24.506 0.717 -12.881 1.00 0.00 O ATOM 702 CB THR A 52 26.861 0.880 -14.649 1.00 0.00 C ATOM 703 OG1 THR A 52 25.727 1.731 -14.732 1.00 0.00 O ATOM 704 CG2 THR A 52 27.039 0.136 -15.974 1.00 0.00 C ATOM 0 H THR A 52 26.883 -1.792 -14.826 1.00 0.00 H new ATOM 0 HA THR A 52 27.190 0.224 -12.624 1.00 0.00 H new ATOM 0 HB THR A 52 27.752 1.475 -14.450 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.426 1.964 -13.829 1.00 0.00 H new ATOM 0 HG21 THR A 52 27.182 0.856 -16.779 1.00 0.00 H new ATOM 0 HG22 THR A 52 27.910 -0.516 -15.911 1.00 0.00 H new ATOM 0 HG23 THR A 52 26.151 -0.463 -16.177 1.00 0.00 H new ATOM 712 N LYS A 53 24.633 -1.439 -13.280 1.00 0.00 N ATOM 713 CA LYS A 53 23.186 -1.629 -12.984 1.00 0.00 C ATOM 714 C LYS A 53 22.344 -0.825 -13.974 1.00 0.00 C ATOM 715 O LYS A 53 21.227 -0.444 -13.685 1.00 0.00 O ATOM 716 CB LYS A 53 22.889 -1.158 -11.559 1.00 0.00 C ATOM 717 CG LYS A 53 23.519 -2.130 -10.559 1.00 0.00 C ATOM 718 CD LYS A 53 22.742 -2.081 -9.243 1.00 0.00 C ATOM 719 CE LYS A 53 23.345 -3.084 -8.257 1.00 0.00 C ATOM 720 NZ LYS A 53 23.537 -2.426 -6.933 1.00 0.00 N ATOM 0 H LYS A 53 25.137 -2.287 -13.540 1.00 0.00 H new ATOM 0 HA LYS A 53 22.937 -2.686 -13.077 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.286 -0.154 -11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.812 -1.103 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 53 23.508 -3.142 -10.963 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.563 -1.867 -10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.779 -1.076 -8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.692 -2.314 -9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.689 -3.948 -8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.299 -3.452 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 23.947 -3.108 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.179 -1.615 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 22.619 -2.096 -6.573 1.00 0.00 H new ATOM 734 N LYS A 54 22.859 -0.578 -15.146 1.00 0.00 N ATOM 735 CA LYS A 54 22.072 0.185 -16.154 1.00 0.00 C ATOM 736 C LYS A 54 21.114 -0.782 -16.848 1.00 0.00 C ATOM 737 O LYS A 54 21.466 -1.906 -17.141 1.00 0.00 O ATOM 738 CB LYS A 54 23.018 0.803 -17.185 1.00 0.00 C ATOM 739 CG LYS A 54 23.493 2.168 -16.686 1.00 0.00 C ATOM 740 CD LYS A 54 22.330 3.161 -16.727 1.00 0.00 C ATOM 741 CE LYS A 54 22.286 3.952 -15.418 1.00 0.00 C ATOM 742 NZ LYS A 54 23.429 4.906 -15.376 1.00 0.00 N ATOM 0 H LYS A 54 23.788 -0.871 -15.449 1.00 0.00 H new ATOM 0 HA LYS A 54 21.512 0.984 -15.668 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.872 0.147 -17.350 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.509 0.911 -18.143 1.00 0.00 H new ATOM 0 HG2 LYS A 54 23.876 2.082 -15.669 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.314 2.528 -17.306 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.448 3.841 -17.571 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.390 2.630 -16.875 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.343 4.494 -15.339 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.335 3.272 -14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 23.380 5.468 -14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 24.324 4.377 -15.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 23.382 5.541 -16.198 1.00 0.00 H new ATOM 756 N GLU A 55 19.906 -0.366 -17.112 1.00 0.00 N ATOM 757 CA GLU A 55 18.943 -1.286 -17.781 1.00 0.00 C ATOM 758 C GLU A 55 18.465 -0.670 -19.095 1.00 0.00 C ATOM 759 O GLU A 55 18.290 0.527 -19.208 1.00 0.00 O ATOM 760 CB GLU A 55 17.743 -1.530 -16.863 1.00 0.00 C ATOM 761 CG GLU A 55 17.128 -0.190 -16.459 1.00 0.00 C ATOM 762 CD GLU A 55 17.836 0.340 -15.209 1.00 0.00 C ATOM 763 OE1 GLU A 55 18.853 0.996 -15.362 1.00 0.00 O ATOM 764 OE2 GLU A 55 17.347 0.080 -14.122 1.00 0.00 O ATOM 0 H GLU A 55 19.546 0.563 -16.896 1.00 0.00 H new ATOM 0 HA GLU A 55 19.439 -2.234 -17.989 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.001 -2.144 -17.373 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.056 -2.080 -15.976 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.223 0.527 -17.275 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.063 -0.311 -16.263 1.00 0.00 H new ATOM 771 N GLY A 56 18.253 -1.486 -20.092 1.00 0.00 N ATOM 772 CA GLY A 56 17.788 -0.960 -21.403 1.00 0.00 C ATOM 773 C GLY A 56 17.420 -2.131 -22.311 1.00 0.00 C ATOM 774 O GLY A 56 17.738 -3.271 -22.033 1.00 0.00 O ATOM 0 H GLY A 56 18.383 -2.497 -20.053 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.926 -0.309 -21.262 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.570 -0.358 -21.865 1.00 0.00 H new ATOM 778 N PHE A 57 16.748 -1.860 -23.391 1.00 0.00 N ATOM 779 CA PHE A 57 16.351 -2.958 -24.315 1.00 0.00 C ATOM 780 C PHE A 57 17.598 -3.564 -24.965 1.00 0.00 C ATOM 781 O PHE A 57 18.482 -2.862 -25.416 1.00 0.00 O ATOM 782 CB PHE A 57 15.433 -2.399 -25.405 1.00 0.00 C ATOM 783 CG PHE A 57 14.002 -2.426 -24.922 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.422 -3.636 -24.519 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.255 -1.242 -24.878 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.095 -3.660 -24.072 1.00 0.00 C ATOM 787 CE2 PHE A 57 11.928 -1.268 -24.431 1.00 0.00 C ATOM 788 CZ PHE A 57 11.349 -2.477 -24.028 1.00 0.00 C ATOM 0 H PHE A 57 16.455 -0.925 -23.676 1.00 0.00 H new ATOM 0 HA PHE A 57 15.826 -3.729 -23.752 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.725 -1.379 -25.653 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.532 -2.989 -26.316 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.998 -4.549 -24.553 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.702 -0.309 -25.189 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.647 -4.592 -23.761 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.351 -0.355 -24.397 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.326 -2.497 -23.683 1.00 0.00 H new ATOM 798 N ILE A 58 17.669 -4.865 -25.020 1.00 0.00 N ATOM 799 CA ILE A 58 18.848 -5.528 -25.645 1.00 0.00 C ATOM 800 C ILE A 58 18.362 -6.477 -26.743 1.00 0.00 C ATOM 801 O ILE A 58 17.304 -7.066 -26.633 1.00 0.00 O ATOM 802 CB ILE A 58 19.609 -6.325 -24.583 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.617 -7.113 -23.726 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.400 -5.364 -23.693 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.272 -8.414 -23.255 1.00 0.00 C ATOM 0 H ILE A 58 16.958 -5.500 -24.657 1.00 0.00 H new ATOM 0 HA ILE A 58 19.510 -4.775 -26.073 1.00 0.00 H new ATOM 0 HB ILE A 58 20.295 -7.016 -25.072 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.308 -6.517 -22.867 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.718 -7.333 -24.301 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.942 -5.931 -22.937 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.108 -4.803 -24.303 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.714 -4.672 -23.205 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.566 -8.976 -22.644 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.559 -9.011 -24.121 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.158 -8.182 -22.664 1.00 0.00 H new ATOM 817 N PRO A 59 19.145 -6.627 -27.822 1.00 0.00 N ATOM 818 CA PRO A 59 18.775 -7.508 -28.933 1.00 0.00 C ATOM 819 C PRO A 59 18.904 -8.977 -28.522 1.00 0.00 C ATOM 820 O PRO A 59 19.757 -9.320 -27.727 1.00 0.00 O ATOM 821 CB PRO A 59 19.796 -7.166 -30.018 1.00 0.00 C ATOM 822 CG PRO A 59 20.975 -6.628 -29.277 1.00 0.00 C ATOM 823 CD PRO A 59 20.439 -5.958 -28.041 1.00 0.00 C ATOM 0 HA PRO A 59 17.744 -7.370 -29.258 1.00 0.00 H new ATOM 0 HB2 PRO A 59 20.064 -8.047 -30.601 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.399 -6.430 -30.717 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.666 -7.429 -29.014 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.529 -5.919 -29.893 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.108 -6.090 -27.191 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.317 -4.885 -28.187 1.00 0.00 H new ATOM 831 N SER A 60 18.080 -9.852 -29.024 1.00 0.00 N ATOM 832 CA SER A 60 18.202 -11.277 -28.604 1.00 0.00 C ATOM 833 C SER A 60 19.252 -11.993 -29.461 1.00 0.00 C ATOM 834 O SER A 60 19.172 -13.184 -29.684 1.00 0.00 O ATOM 835 CB SER A 60 16.850 -11.974 -28.748 1.00 0.00 C ATOM 836 OG SER A 60 16.434 -11.921 -30.104 1.00 0.00 O ATOM 0 H SER A 60 17.339 -9.649 -29.695 1.00 0.00 H new ATOM 0 HA SER A 60 18.516 -11.313 -27.561 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.926 -13.011 -28.420 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.110 -11.491 -28.110 1.00 0.00 H new ATOM 0 HG SER A 60 15.951 -11.084 -30.265 1.00 0.00 H new ATOM 842 N ASN A 61 20.241 -11.283 -29.933 1.00 0.00 N ATOM 843 CA ASN A 61 21.292 -11.940 -30.762 1.00 0.00 C ATOM 844 C ASN A 61 22.675 -11.419 -30.353 1.00 0.00 C ATOM 845 O ASN A 61 23.683 -11.820 -30.899 1.00 0.00 O ATOM 846 CB ASN A 61 21.046 -11.636 -32.238 1.00 0.00 C ATOM 847 CG ASN A 61 21.933 -12.537 -33.100 1.00 0.00 C ATOM 848 OD1 ASN A 61 21.746 -13.736 -33.138 1.00 0.00 O ATOM 849 ND2 ASN A 61 22.898 -12.005 -33.801 1.00 0.00 N ATOM 0 H ASN A 61 20.366 -10.282 -29.782 1.00 0.00 H new ATOM 0 HA ASN A 61 21.252 -13.018 -30.604 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.997 -11.799 -32.484 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.263 -10.588 -32.445 1.00 0.00 H new ATOM 0 HD21 ASN A 61 23.494 -12.597 -34.380 1.00 0.00 H new ATOM 0 HD22 ASN A 61 23.056 -10.998 -33.770 1.00 0.00 H new ATOM 856 N TYR A 62 22.734 -10.537 -29.392 1.00 0.00 N ATOM 857 CA TYR A 62 24.056 -10.005 -28.950 1.00 0.00 C ATOM 858 C TYR A 62 24.408 -10.588 -27.578 1.00 0.00 C ATOM 859 O TYR A 62 25.561 -10.668 -27.203 1.00 0.00 O ATOM 860 CB TYR A 62 23.990 -8.480 -28.846 1.00 0.00 C ATOM 861 CG TYR A 62 24.042 -7.876 -30.229 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.924 -7.948 -31.069 1.00 0.00 C ATOM 863 CD2 TYR A 62 25.211 -7.244 -30.672 1.00 0.00 C ATOM 864 CE1 TYR A 62 22.974 -7.386 -32.350 1.00 0.00 C ATOM 865 CE2 TYR A 62 25.261 -6.683 -31.953 1.00 0.00 C ATOM 866 CZ TYR A 62 24.143 -6.754 -32.792 1.00 0.00 C ATOM 867 OH TYR A 62 24.193 -6.200 -34.056 1.00 0.00 O ATOM 0 H TYR A 62 21.926 -10.162 -28.895 1.00 0.00 H new ATOM 0 HA TYR A 62 24.818 -10.288 -29.677 1.00 0.00 H new ATOM 0 HB2 TYR A 62 23.072 -8.179 -28.341 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.821 -8.110 -28.245 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.023 -8.437 -30.729 1.00 0.00 H new ATOM 0 HD2 TYR A 62 26.074 -7.190 -30.025 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.111 -7.440 -32.997 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.162 -6.195 -32.294 1.00 0.00 H new ATOM 0 HH TYR A 62 25.076 -5.800 -34.203 1.00 0.00 H new ATOM 877 N VAL A 63 23.422 -11.000 -26.828 1.00 0.00 N ATOM 878 CA VAL A 63 23.698 -11.581 -25.482 1.00 0.00 C ATOM 879 C VAL A 63 23.071 -12.973 -25.390 1.00 0.00 C ATOM 880 O VAL A 63 22.167 -13.305 -26.129 1.00 0.00 O ATOM 881 CB VAL A 63 23.086 -10.687 -24.402 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.678 -9.281 -24.506 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.569 -10.619 -24.594 1.00 0.00 C ATOM 0 H VAL A 63 22.437 -10.960 -27.089 1.00 0.00 H new ATOM 0 HA VAL A 63 24.776 -11.650 -25.335 1.00 0.00 H new ATOM 0 HB VAL A 63 23.309 -11.102 -23.419 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.241 -8.645 -23.736 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.758 -9.330 -24.367 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.457 -8.865 -25.489 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.133 -9.982 -23.824 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.345 -10.205 -25.577 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.147 -11.621 -24.517 1.00 0.00 H new