USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 609 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 1 ALA N :NH3+ -122:sc= 0.401 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -101:sc= 0.739 (180deg=-2.55!) USER MOD Single : A 14 HIS : no HD1:sc= -1.66! C(o=-1.7!,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 145:sc= 1.3 (180deg=0.454) USER MOD Single : A 24 LYS NZ :NH3+ 142:sc= -0.797! (180deg=-1.38!) USER MOD Single : A 30 ASN : amide:sc= -0.693! X(o=-0.69!,f=-0.46) USER MOD Single : A 36 CYS SG : rot -79:sc= -0.288 USER MOD Single : A 39 GLN : amide:sc= -0.399! X(o=-0.4!,f=-0.79) USER MOD Single : A 40 ASN : amide:sc= -0.738 X(o=-0.74,f=-0.62) USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= -0.537 (180deg=-1.76!) USER MOD Single : A 49 SER OG : rot 31:sc= 0.0765 USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 0.827 (180deg=-1.75!) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -3.35! (180deg=-4.75!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 46:sc= 0.495 USER MOD Single : A 70 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.9!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 61:sc= 0.953 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.177 -13.174 3.326 1.00 0.00 N ATOM 2 CA ALA A 1 2.413 -11.990 2.433 1.00 0.00 C ATOM 3 C ALA A 1 1.812 -10.830 3.190 1.00 0.00 C ATOM 4 O ALA A 1 1.269 -11.051 4.252 1.00 0.00 O ATOM 5 CB ALA A 1 1.689 -12.042 1.034 1.00 0.00 C ATOM 0 H1 ALA A 1 3.087 -13.620 3.558 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.711 -12.861 4.202 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.569 -13.862 2.837 1.00 0.00 H new ATOM 0 HA ALA A 1 3.479 -11.934 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.925 -11.141 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.029 -12.917 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.611 -12.104 1.184 1.00 0.00 H new ATOM 13 N PHE A 2 1.887 -9.654 2.650 1.00 0.00 N ATOM 14 CA PHE A 2 1.323 -8.466 3.346 1.00 0.00 C ATOM 15 C PHE A 2 0.385 -7.884 2.319 1.00 0.00 C ATOM 16 O PHE A 2 0.547 -8.188 1.150 1.00 0.00 O ATOM 17 CB PHE A 2 2.451 -7.469 3.683 1.00 0.00 C ATOM 18 CG PHE A 2 2.205 -6.665 4.980 1.00 0.00 C ATOM 19 CD1 PHE A 2 1.020 -6.692 5.716 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.241 -5.863 5.426 1.00 0.00 C ATOM 21 CE1 PHE A 2 0.892 -5.932 6.856 1.00 0.00 C ATOM 22 CE2 PHE A 2 3.107 -5.109 6.570 1.00 0.00 C ATOM 23 CZ PHE A 2 1.930 -5.141 7.287 1.00 0.00 C ATOM 0 H PHE A 2 2.319 -9.459 1.747 1.00 0.00 H new ATOM 0 HA PHE A 2 0.829 -8.703 4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.390 -8.015 3.777 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.569 -6.773 2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.199 -7.313 5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.166 -5.828 4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.031 -5.957 7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.926 -4.491 6.907 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.824 -4.547 8.183 1.00 0.00 H new ATOM 33 N GLU A 3 -0.528 -7.079 2.754 1.00 0.00 N ATOM 34 CA GLU A 3 -1.503 -6.452 1.836 1.00 0.00 C ATOM 35 C GLU A 3 -1.631 -5.005 2.244 1.00 0.00 C ATOM 36 O GLU A 3 -0.759 -4.462 2.890 1.00 0.00 O ATOM 37 CB GLU A 3 -2.864 -7.144 1.961 1.00 0.00 C ATOM 38 CG GLU A 3 -3.429 -7.281 0.547 1.00 0.00 C ATOM 39 CD GLU A 3 -4.912 -7.046 0.659 1.00 0.00 C ATOM 40 OE1 GLU A 3 -5.188 -5.860 0.578 1.00 0.00 O ATOM 41 OE2 GLU A 3 -5.610 -8.024 0.817 1.00 0.00 O ATOM 0 H GLU A 3 -0.643 -6.822 3.734 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.169 -6.540 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.757 -8.122 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.537 -6.561 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.971 -6.557 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.222 -8.271 0.140 1.00 0.00 H new ATOM 48 N PHE A 4 -2.733 -4.448 1.845 1.00 0.00 N ATOM 49 CA PHE A 4 -3.022 -3.021 2.159 1.00 0.00 C ATOM 50 C PHE A 4 -4.200 -2.878 3.145 1.00 0.00 C ATOM 51 O PHE A 4 -4.107 -2.105 4.080 1.00 0.00 O ATOM 52 CB PHE A 4 -3.290 -2.303 0.811 1.00 0.00 C ATOM 53 CG PHE A 4 -3.631 -0.808 0.987 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.902 0.028 1.824 1.00 0.00 C ATOM 55 CD2 PHE A 4 -4.683 -0.268 0.272 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.223 1.367 1.933 1.00 0.00 C ATOM 57 CE2 PHE A 4 -5.003 1.069 0.385 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.275 1.889 1.216 1.00 0.00 C ATOM 0 H PHE A 4 -3.458 -4.924 1.307 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.173 -2.561 2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.411 -2.398 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.112 -2.800 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.077 -0.373 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.262 -0.901 -0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.646 2.007 2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.829 1.474 -0.181 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.528 2.935 1.305 1.00 0.00 H new ATOM 68 N LYS A 5 -5.293 -3.570 2.985 1.00 0.00 N ATOM 69 CA LYS A 5 -6.404 -3.412 3.971 1.00 0.00 C ATOM 70 C LYS A 5 -6.598 -4.854 4.416 1.00 0.00 C ATOM 71 O LYS A 5 -5.855 -5.737 4.049 1.00 0.00 O ATOM 72 CB LYS A 5 -7.692 -2.889 3.289 1.00 0.00 C ATOM 73 CG LYS A 5 -7.413 -1.684 2.327 1.00 0.00 C ATOM 74 CD LYS A 5 -6.959 -0.335 3.008 1.00 0.00 C ATOM 75 CE LYS A 5 -8.005 0.394 3.913 1.00 0.00 C ATOM 76 NZ LYS A 5 -8.266 -0.311 5.169 1.00 0.00 N ATOM 0 H LYS A 5 -5.467 -4.230 2.227 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.191 -2.703 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.156 -3.699 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.405 -2.582 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.643 -1.985 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.318 -1.489 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.075 -0.542 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.653 0.355 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.647 1.399 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.940 0.503 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.160 -0.838 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.489 -0.974 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.335 0.377 5.946 1.00 0.00 H new ATOM 90 N LEU A 6 -7.591 -5.064 5.225 1.00 0.00 N ATOM 91 CA LEU A 6 -7.877 -6.432 5.715 1.00 0.00 C ATOM 92 C LEU A 6 -9.252 -6.763 5.130 1.00 0.00 C ATOM 93 O LEU A 6 -9.812 -5.983 4.384 1.00 0.00 O ATOM 94 CB LEU A 6 -7.883 -6.362 7.245 1.00 0.00 C ATOM 95 CG LEU A 6 -6.515 -5.821 7.777 1.00 0.00 C ATOM 96 CD1 LEU A 6 -6.545 -5.724 9.325 1.00 0.00 C ATOM 97 CD2 LEU A 6 -5.346 -6.757 7.364 1.00 0.00 C ATOM 0 H LEU A 6 -8.221 -4.340 5.570 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.157 -7.197 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.692 -5.714 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.074 -7.352 7.659 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.358 -4.835 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.588 -5.346 9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.341 -5.046 9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.727 -6.712 9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.407 -6.357 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.513 -7.751 7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.297 -6.820 6.277 1.00 0.00 H new ATOM 109 N PRO A 7 -9.803 -7.899 5.457 1.00 0.00 N ATOM 110 CA PRO A 7 -11.276 -8.019 5.609 1.00 0.00 C ATOM 111 C PRO A 7 -11.602 -6.970 6.689 1.00 0.00 C ATOM 112 O PRO A 7 -11.622 -7.244 7.872 1.00 0.00 O ATOM 113 CB PRO A 7 -11.463 -9.502 5.984 1.00 0.00 C ATOM 114 CG PRO A 7 -10.205 -10.173 5.307 1.00 0.00 C ATOM 115 CD PRO A 7 -9.086 -9.181 5.684 1.00 0.00 C ATOM 0 HA PRO A 7 -11.936 -7.818 4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.474 -9.652 7.064 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.399 -9.906 5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.015 -11.173 5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.322 -10.268 4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.754 -9.297 6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.204 -9.285 5.052 1.00 0.00 H new ATOM 123 N ASP A 8 -11.821 -5.799 6.175 1.00 0.00 N ATOM 124 CA ASP A 8 -12.149 -4.569 6.893 1.00 0.00 C ATOM 125 C ASP A 8 -13.491 -4.129 6.319 1.00 0.00 C ATOM 126 O ASP A 8 -14.501 -4.552 6.824 1.00 0.00 O ATOM 127 CB ASP A 8 -10.940 -3.730 6.562 1.00 0.00 C ATOM 128 CG ASP A 8 -11.156 -2.234 6.478 1.00 0.00 C ATOM 129 OD1 ASP A 8 -12.108 -1.678 6.980 1.00 0.00 O ATOM 130 OD2 ASP A 8 -10.256 -1.749 5.833 1.00 0.00 O ATOM 0 H ASP A 8 -11.776 -5.649 5.167 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.294 -4.572 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.175 -3.922 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.540 -4.071 5.607 1.00 0.00 H new ATOM 135 N ILE A 9 -13.477 -3.314 5.301 1.00 0.00 N ATOM 136 CA ILE A 9 -14.708 -2.799 4.621 1.00 0.00 C ATOM 137 C ILE A 9 -15.706 -2.350 5.706 1.00 0.00 C ATOM 138 O ILE A 9 -16.906 -2.513 5.577 1.00 0.00 O ATOM 139 CB ILE A 9 -15.356 -3.956 3.662 1.00 0.00 C ATOM 140 CG1 ILE A 9 -15.786 -5.252 4.432 1.00 0.00 C ATOM 141 CG2 ILE A 9 -14.372 -4.359 2.503 1.00 0.00 C ATOM 142 CD1 ILE A 9 -16.477 -6.278 3.486 1.00 0.00 C ATOM 0 H ILE A 9 -12.613 -2.963 4.888 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.461 -1.951 3.982 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.258 -3.502 3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.910 -5.711 4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.467 -4.986 5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.834 -5.129 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.154 -3.484 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.445 -4.743 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.761 -7.163 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.367 -5.827 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.787 -6.563 2.692 1.00 0.00 H new ATOM 154 N GLY A 10 -15.182 -1.775 6.755 1.00 0.00 N ATOM 155 CA GLY A 10 -16.068 -1.306 7.852 1.00 0.00 C ATOM 156 C GLY A 10 -16.503 0.115 7.552 1.00 0.00 C ATOM 157 O GLY A 10 -16.263 0.635 6.478 1.00 0.00 O ATOM 0 H GLY A 10 -14.185 -1.612 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.938 -1.957 7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.542 -1.347 8.806 1.00 0.00 H new ATOM 161 N GLU A 11 -17.141 0.734 8.500 1.00 0.00 N ATOM 162 CA GLU A 11 -17.611 2.117 8.317 1.00 0.00 C ATOM 163 C GLU A 11 -16.544 3.105 8.750 1.00 0.00 C ATOM 164 O GLU A 11 -15.598 2.794 9.445 1.00 0.00 O ATOM 165 CB GLU A 11 -18.799 2.293 9.175 1.00 0.00 C ATOM 166 CG GLU A 11 -19.954 1.384 8.782 1.00 0.00 C ATOM 167 CD GLU A 11 -20.915 1.493 9.954 1.00 0.00 C ATOM 168 OE1 GLU A 11 -21.522 2.546 10.038 1.00 0.00 O ATOM 169 OE2 GLU A 11 -20.954 0.514 10.672 1.00 0.00 O ATOM 0 H GLU A 11 -17.358 0.326 9.409 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.842 2.296 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.525 2.096 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.127 3.331 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.420 1.708 7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.622 0.357 8.631 1.00 0.00 H new ATOM 176 N GLY A 12 -16.767 4.297 8.302 1.00 0.00 N ATOM 177 CA GLY A 12 -15.867 5.434 8.604 1.00 0.00 C ATOM 178 C GLY A 12 -15.083 5.778 7.361 1.00 0.00 C ATOM 179 O GLY A 12 -15.375 6.763 6.721 1.00 0.00 O ATOM 0 H GLY A 12 -17.566 4.541 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.446 6.296 8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.190 5.173 9.417 1.00 0.00 H new ATOM 183 N ILE A 13 -14.136 4.938 7.076 1.00 0.00 N ATOM 184 CA ILE A 13 -13.229 5.084 5.898 1.00 0.00 C ATOM 185 C ILE A 13 -13.280 3.684 5.296 1.00 0.00 C ATOM 186 O ILE A 13 -12.817 2.790 5.981 1.00 0.00 O ATOM 187 CB ILE A 13 -11.846 5.452 6.435 1.00 0.00 C ATOM 188 CG1 ILE A 13 -11.876 6.827 7.187 1.00 0.00 C ATOM 189 CG2 ILE A 13 -10.765 5.456 5.328 1.00 0.00 C ATOM 190 CD1 ILE A 13 -10.573 7.024 7.990 1.00 0.00 C ATOM 0 H ILE A 13 -13.940 4.111 7.640 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.489 5.847 5.164 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.572 4.675 7.149 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -11.996 7.639 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.734 6.864 7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.801 5.723 5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.699 4.464 4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.032 6.183 4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.606 7.983 8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.470 6.221 8.720 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.721 7.008 7.310 1.00 0.00 H new ATOM 202 N HIS A 14 -13.796 3.460 4.123 1.00 0.00 N ATOM 203 CA HIS A 14 -13.795 2.049 3.631 1.00 0.00 C ATOM 204 C HIS A 14 -13.113 2.033 2.279 1.00 0.00 C ATOM 205 O HIS A 14 -13.269 1.079 1.533 1.00 0.00 O ATOM 206 CB HIS A 14 -15.261 1.506 3.506 1.00 0.00 C ATOM 207 CG HIS A 14 -16.091 2.258 2.456 1.00 0.00 C ATOM 208 ND1 HIS A 14 -15.695 2.472 1.250 1.00 0.00 N ATOM 209 CD2 HIS A 14 -17.356 2.836 2.504 1.00 0.00 C ATOM 210 CE1 HIS A 14 -16.603 3.119 0.595 1.00 0.00 C ATOM 211 NE2 HIS A 14 -17.655 3.364 1.333 1.00 0.00 N ATOM 0 H HIS A 14 -14.204 4.158 3.501 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.265 1.407 4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -15.230 0.448 3.247 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.755 1.583 4.475 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -17.998 2.850 3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -16.505 3.421 -0.437 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -18.510 3.851 1.065 1.00 0.00 H new ATOM 219 N GLU A 15 -12.374 3.054 1.972 1.00 0.00 N ATOM 220 CA GLU A 15 -11.682 3.115 0.663 1.00 0.00 C ATOM 221 C GLU A 15 -10.181 3.389 0.788 1.00 0.00 C ATOM 222 O GLU A 15 -9.608 3.471 1.856 1.00 0.00 O ATOM 223 CB GLU A 15 -12.400 4.213 -0.195 1.00 0.00 C ATOM 224 CG GLU A 15 -12.391 5.613 0.487 1.00 0.00 C ATOM 225 CD GLU A 15 -13.198 5.558 1.782 1.00 0.00 C ATOM 226 OE1 GLU A 15 -14.369 5.267 1.683 1.00 0.00 O ATOM 227 OE2 GLU A 15 -12.605 5.783 2.815 1.00 0.00 O ATOM 0 H GLU A 15 -12.218 3.859 2.579 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.746 2.141 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.912 4.284 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.431 3.909 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.366 5.919 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.814 6.359 -0.186 1.00 0.00 H new ATOM 234 N GLY A 16 -9.593 3.483 -0.363 1.00 0.00 N ATOM 235 CA GLY A 16 -8.123 3.756 -0.512 1.00 0.00 C ATOM 236 C GLY A 16 -7.867 4.784 -1.633 1.00 0.00 C ATOM 237 O GLY A 16 -7.895 4.393 -2.782 1.00 0.00 O ATOM 0 H GLY A 16 -10.083 3.379 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.721 4.130 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.597 2.828 -0.737 1.00 0.00 H new ATOM 241 N GLU A 17 -7.623 6.035 -1.340 1.00 0.00 N ATOM 242 CA GLU A 17 -7.374 7.032 -2.418 1.00 0.00 C ATOM 243 C GLU A 17 -5.845 7.230 -2.439 1.00 0.00 C ATOM 244 O GLU A 17 -5.273 7.901 -1.597 1.00 0.00 O ATOM 245 CB GLU A 17 -8.093 8.301 -2.046 1.00 0.00 C ATOM 246 CG GLU A 17 -8.327 9.183 -3.335 1.00 0.00 C ATOM 247 CD GLU A 17 -8.618 10.615 -2.909 1.00 0.00 C ATOM 248 OE1 GLU A 17 -8.303 10.900 -1.785 1.00 0.00 O ATOM 249 OE2 GLU A 17 -9.133 11.376 -3.700 1.00 0.00 O ATOM 0 H GLU A 17 -7.586 6.409 -0.392 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.730 6.722 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.049 8.064 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.509 8.859 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.447 9.153 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.159 8.787 -3.917 1.00 0.00 H new ATOM 256 N ILE A 18 -5.216 6.616 -3.395 1.00 0.00 N ATOM 257 CA ILE A 18 -3.763 6.697 -3.561 1.00 0.00 C ATOM 258 C ILE A 18 -3.519 7.904 -4.453 1.00 0.00 C ATOM 259 O ILE A 18 -4.158 8.051 -5.472 1.00 0.00 O ATOM 260 CB ILE A 18 -3.362 5.394 -4.204 1.00 0.00 C ATOM 261 CG1 ILE A 18 -3.914 4.211 -3.357 1.00 0.00 C ATOM 262 CG2 ILE A 18 -1.874 5.382 -4.297 1.00 0.00 C ATOM 263 CD1 ILE A 18 -4.840 3.364 -4.232 1.00 0.00 C ATOM 0 H ILE A 18 -5.682 6.038 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.187 6.825 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.778 5.288 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.092 3.603 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.456 4.589 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.546 4.451 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.540 6.225 -4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.446 5.462 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.232 2.532 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.667 3.979 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.282 2.977 -5.085 1.00 0.00 H new ATOM 275 N VAL A 19 -2.610 8.718 -4.034 1.00 0.00 N ATOM 276 CA VAL A 19 -2.271 9.929 -4.802 1.00 0.00 C ATOM 277 C VAL A 19 -0.945 9.655 -5.547 1.00 0.00 C ATOM 278 O VAL A 19 -0.874 9.727 -6.757 1.00 0.00 O ATOM 279 CB VAL A 19 -2.149 11.088 -3.762 1.00 0.00 C ATOM 280 CG1 VAL A 19 -2.264 12.480 -4.437 1.00 0.00 C ATOM 281 CG2 VAL A 19 -3.197 10.922 -2.627 1.00 0.00 C ATOM 0 H VAL A 19 -2.076 8.593 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.018 10.201 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.156 11.030 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.174 13.260 -3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.468 12.595 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.231 12.565 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.094 11.740 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.200 10.936 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.033 9.973 -2.116 1.00 0.00 H new ATOM 291 N LYS A 20 0.066 9.333 -4.788 1.00 0.00 N ATOM 292 CA LYS A 20 1.438 9.048 -5.345 1.00 0.00 C ATOM 293 C LYS A 20 1.998 7.726 -4.824 1.00 0.00 C ATOM 294 O LYS A 20 1.455 7.131 -3.907 1.00 0.00 O ATOM 295 CB LYS A 20 2.313 10.190 -4.896 1.00 0.00 C ATOM 296 CG LYS A 20 3.793 10.336 -5.422 1.00 0.00 C ATOM 297 CD LYS A 20 4.317 11.280 -4.344 1.00 0.00 C ATOM 298 CE LYS A 20 5.710 11.787 -4.371 1.00 0.00 C ATOM 299 NZ LYS A 20 5.825 12.731 -3.210 1.00 0.00 N ATOM 0 H LYS A 20 0.005 9.251 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 20 1.398 8.961 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.791 11.112 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.364 10.144 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.328 9.387 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.847 10.764 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.662 12.151 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.182 10.775 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.425 10.969 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.923 12.296 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.780 12.666 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.653 13.704 -3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.122 12.478 -2.486 1.00 0.00 H new ATOM 313 N TRP A 21 3.081 7.351 -5.447 1.00 0.00 N ATOM 314 CA TRP A 21 3.829 6.111 -5.127 1.00 0.00 C ATOM 315 C TRP A 21 5.295 6.507 -4.980 1.00 0.00 C ATOM 316 O TRP A 21 5.660 7.626 -5.285 1.00 0.00 O ATOM 317 CB TRP A 21 3.717 5.098 -6.248 1.00 0.00 C ATOM 318 CG TRP A 21 2.586 4.141 -5.951 1.00 0.00 C ATOM 319 CD1 TRP A 21 1.365 4.169 -6.552 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.657 3.121 -5.060 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.775 3.146 -5.976 1.00 0.00 N ATOM 322 CE2 TRP A 21 1.453 2.460 -5.085 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.654 2.666 -4.204 1.00 0.00 C ATOM 324 CZ2 TRP A 21 1.212 1.367 -4.299 1.00 0.00 C ATOM 325 CZ3 TRP A 21 3.421 1.565 -3.408 1.00 0.00 C ATOM 326 CH2 TRP A 21 2.204 0.918 -3.457 1.00 0.00 C ATOM 0 H TRP A 21 3.496 7.889 -6.207 1.00 0.00 H new ATOM 0 HA TRP A 21 3.425 5.660 -4.220 1.00 0.00 H new ATOM 0 HB2 TRP A 21 3.538 5.606 -7.195 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.653 4.550 -6.352 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.984 4.848 -7.300 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.184 2.892 -6.214 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.607 3.173 -4.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.257 0.864 -4.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.194 1.208 -2.744 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.029 0.055 -2.832 1.00 0.00 H new ATOM 337 N PHE A 22 6.074 5.565 -4.530 1.00 0.00 N ATOM 338 CA PHE A 22 7.542 5.787 -4.322 1.00 0.00 C ATOM 339 C PHE A 22 8.318 4.733 -5.092 1.00 0.00 C ATOM 340 O PHE A 22 9.213 5.032 -5.858 1.00 0.00 O ATOM 341 CB PHE A 22 7.854 5.712 -2.789 1.00 0.00 C ATOM 342 CG PHE A 22 7.077 6.861 -2.112 1.00 0.00 C ATOM 343 CD1 PHE A 22 5.701 6.792 -2.021 1.00 0.00 C ATOM 344 CD2 PHE A 22 7.713 7.984 -1.615 1.00 0.00 C ATOM 345 CE1 PHE A 22 4.968 7.809 -1.463 1.00 0.00 C ATOM 346 CE2 PHE A 22 6.978 9.013 -1.048 1.00 0.00 C ATOM 347 CZ PHE A 22 5.601 8.926 -0.973 1.00 0.00 C ATOM 0 H PHE A 22 5.752 4.627 -4.291 1.00 0.00 H new ATOM 0 HA PHE A 22 7.839 6.769 -4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.550 4.748 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.924 5.812 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.190 5.918 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.789 8.060 -1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.892 7.731 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.483 9.886 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.027 9.729 -0.533 1.00 0.00 H new ATOM 357 N VAL A 23 7.967 3.507 -4.870 1.00 0.00 N ATOM 358 CA VAL A 23 8.665 2.400 -5.571 1.00 0.00 C ATOM 359 C VAL A 23 7.791 1.988 -6.740 1.00 0.00 C ATOM 360 O VAL A 23 6.717 2.523 -6.949 1.00 0.00 O ATOM 361 CB VAL A 23 8.877 1.244 -4.574 1.00 0.00 C ATOM 362 CG1 VAL A 23 9.575 1.935 -3.385 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.542 0.582 -4.129 1.00 0.00 C ATOM 0 H VAL A 23 7.225 3.219 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 23 9.644 2.697 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 23 9.452 0.426 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.777 1.201 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.514 2.376 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.928 2.717 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.752 -0.225 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.910 1.327 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.027 0.180 -5.001 1.00 0.00 H new ATOM 373 N LYS A 24 8.304 1.035 -7.446 1.00 0.00 N ATOM 374 CA LYS A 24 7.604 0.478 -8.638 1.00 0.00 C ATOM 375 C LYS A 24 7.398 -1.005 -8.311 1.00 0.00 C ATOM 376 O LYS A 24 7.967 -1.497 -7.358 1.00 0.00 O ATOM 377 CB LYS A 24 8.494 0.667 -9.943 1.00 0.00 C ATOM 378 CG LYS A 24 10.040 0.625 -9.659 1.00 0.00 C ATOM 379 CD LYS A 24 10.574 2.102 -9.456 1.00 0.00 C ATOM 380 CE LYS A 24 11.985 2.228 -8.742 1.00 0.00 C ATOM 381 NZ LYS A 24 12.950 1.111 -9.068 1.00 0.00 N ATOM 0 H LYS A 24 9.205 0.601 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 24 6.658 0.980 -8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.243 -0.114 -10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.244 1.620 -10.409 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.242 0.027 -8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.561 0.148 -10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.636 2.584 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.840 2.658 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.438 3.178 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.832 2.257 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.912 1.497 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.929 0.401 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.674 0.665 -9.966 1.00 0.00 H new ATOM 395 N PRO A 25 6.596 -1.698 -9.084 1.00 0.00 N ATOM 396 CA PRO A 25 6.399 -3.155 -8.887 1.00 0.00 C ATOM 397 C PRO A 25 7.634 -3.889 -9.379 1.00 0.00 C ATOM 398 O PRO A 25 8.244 -3.477 -10.347 1.00 0.00 O ATOM 399 CB PRO A 25 5.186 -3.514 -9.716 1.00 0.00 C ATOM 400 CG PRO A 25 5.338 -2.507 -10.911 1.00 0.00 C ATOM 401 CD PRO A 25 5.782 -1.189 -10.228 1.00 0.00 C ATOM 0 HA PRO A 25 6.249 -3.427 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.204 -4.553 -10.046 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.254 -3.369 -9.169 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.077 -2.852 -11.634 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.399 -2.382 -11.451 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.367 -0.558 -10.897 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.932 -0.595 -9.893 1.00 0.00 H new ATOM 409 N GLY A 26 7.975 -4.939 -8.714 1.00 0.00 N ATOM 410 CA GLY A 26 9.156 -5.698 -9.160 1.00 0.00 C ATOM 411 C GLY A 26 10.338 -5.314 -8.364 1.00 0.00 C ATOM 412 O GLY A 26 11.302 -6.048 -8.432 1.00 0.00 O ATOM 0 H GLY A 26 7.495 -5.303 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.971 -6.767 -9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.342 -5.507 -10.217 1.00 0.00 H new ATOM 416 N ASP A 27 10.290 -4.230 -7.646 1.00 0.00 N ATOM 417 CA ASP A 27 11.472 -3.824 -6.828 1.00 0.00 C ATOM 418 C ASP A 27 11.355 -4.635 -5.562 1.00 0.00 C ATOM 419 O ASP A 27 10.521 -5.522 -5.420 1.00 0.00 O ATOM 420 CB ASP A 27 11.454 -2.303 -6.445 1.00 0.00 C ATOM 421 CG ASP A 27 12.284 -1.396 -7.325 1.00 0.00 C ATOM 422 OD1 ASP A 27 13.241 -1.752 -7.989 1.00 0.00 O ATOM 423 OD2 ASP A 27 11.912 -0.241 -7.313 1.00 0.00 O ATOM 0 H ASP A 27 9.486 -3.605 -7.588 1.00 0.00 H new ATOM 0 HA ASP A 27 12.392 -3.991 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.422 -1.954 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.804 -2.202 -5.418 1.00 0.00 H new ATOM 428 N GLU A 28 12.217 -4.317 -4.664 1.00 0.00 N ATOM 429 CA GLU A 28 12.260 -4.993 -3.364 1.00 0.00 C ATOM 430 C GLU A 28 12.082 -3.815 -2.398 1.00 0.00 C ATOM 431 O GLU A 28 12.340 -2.685 -2.763 1.00 0.00 O ATOM 432 CB GLU A 28 13.632 -5.718 -3.368 1.00 0.00 C ATOM 433 CG GLU A 28 13.879 -6.348 -4.758 1.00 0.00 C ATOM 434 CD GLU A 28 14.679 -7.640 -4.680 1.00 0.00 C ATOM 435 OE1 GLU A 28 15.436 -7.788 -3.759 1.00 0.00 O ATOM 436 OE2 GLU A 28 14.449 -8.388 -5.603 1.00 0.00 O ATOM 0 H GLU A 28 12.920 -3.588 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 28 11.523 -5.753 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.428 -5.013 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.649 -6.490 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.921 -6.546 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.410 -5.634 -5.388 1.00 0.00 H new ATOM 443 N VAL A 29 11.651 -4.084 -1.212 1.00 0.00 N ATOM 444 CA VAL A 29 11.429 -3.026 -0.215 1.00 0.00 C ATOM 445 C VAL A 29 12.261 -3.289 1.023 1.00 0.00 C ATOM 446 O VAL A 29 12.638 -4.409 1.328 1.00 0.00 O ATOM 447 CB VAL A 29 9.888 -3.009 0.003 1.00 0.00 C ATOM 448 CG1 VAL A 29 9.329 -4.465 0.088 1.00 0.00 C ATOM 449 CG2 VAL A 29 9.461 -2.178 1.228 1.00 0.00 C ATOM 0 H VAL A 29 11.437 -5.025 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 29 11.755 -2.034 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 29 9.453 -2.515 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.250 -4.432 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.548 -4.994 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.798 -4.987 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.376 -2.205 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.917 -2.594 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.788 -1.146 1.099 1.00 0.00 H new ATOM 459 N ASN A 30 12.457 -2.200 1.691 1.00 0.00 N ATOM 460 CA ASN A 30 13.257 -2.135 2.943 1.00 0.00 C ATOM 461 C ASN A 30 12.414 -2.153 4.189 1.00 0.00 C ATOM 462 O ASN A 30 11.243 -2.431 4.137 1.00 0.00 O ATOM 463 CB ASN A 30 14.050 -0.871 2.903 1.00 0.00 C ATOM 464 CG ASN A 30 15.435 -0.988 2.252 1.00 0.00 C ATOM 465 OD1 ASN A 30 15.646 -1.844 1.415 1.00 0.00 O ATOM 466 ND2 ASN A 30 16.403 -0.179 2.583 1.00 0.00 N ATOM 0 H ASN A 30 12.074 -1.298 1.406 1.00 0.00 H new ATOM 0 HA ASN A 30 13.891 -3.020 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.476 -0.118 2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.175 -0.507 3.923 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.318 -0.271 2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.245 0.546 3.283 1.00 0.00 H new ATOM 473 N GLU A 31 13.062 -1.845 5.271 1.00 0.00 N ATOM 474 CA GLU A 31 12.482 -1.791 6.616 1.00 0.00 C ATOM 475 C GLU A 31 12.859 -0.320 6.919 1.00 0.00 C ATOM 476 O GLU A 31 13.468 0.013 7.918 1.00 0.00 O ATOM 477 CB GLU A 31 13.242 -2.776 7.452 1.00 0.00 C ATOM 478 CG GLU A 31 12.437 -3.286 8.634 1.00 0.00 C ATOM 479 CD GLU A 31 13.338 -4.262 9.416 1.00 0.00 C ATOM 480 OE1 GLU A 31 13.761 -5.214 8.773 1.00 0.00 O ATOM 481 OE2 GLU A 31 13.565 -3.987 10.582 1.00 0.00 O ATOM 0 H GLU A 31 14.055 -1.611 5.260 1.00 0.00 H new ATOM 0 HA GLU A 31 11.428 -2.026 6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.541 -3.620 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.157 -2.308 7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.123 -2.459 9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.531 -3.788 8.294 1.00 0.00 H new ATOM 488 N ASP A 32 12.475 0.516 6.005 1.00 0.00 N ATOM 489 CA ASP A 32 12.748 1.974 6.096 1.00 0.00 C ATOM 490 C ASP A 32 11.897 2.829 5.139 1.00 0.00 C ATOM 491 O ASP A 32 11.180 3.687 5.617 1.00 0.00 O ATOM 492 CB ASP A 32 14.291 2.316 5.827 1.00 0.00 C ATOM 493 CG ASP A 32 14.920 1.529 4.724 1.00 0.00 C ATOM 494 OD1 ASP A 32 14.529 1.743 3.600 1.00 0.00 O ATOM 495 OD2 ASP A 32 15.778 0.716 5.011 1.00 0.00 O ATOM 0 H ASP A 32 11.964 0.240 5.167 1.00 0.00 H new ATOM 0 HA ASP A 32 12.476 2.230 7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.379 3.377 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.853 2.143 6.745 1.00 0.00 H new ATOM 500 N ASP A 33 11.997 2.589 3.857 1.00 0.00 N ATOM 501 CA ASP A 33 11.211 3.358 2.818 1.00 0.00 C ATOM 502 C ASP A 33 9.666 3.425 3.061 1.00 0.00 C ATOM 503 O ASP A 33 9.143 3.061 4.109 1.00 0.00 O ATOM 504 CB ASP A 33 11.476 2.727 1.386 1.00 0.00 C ATOM 505 CG ASP A 33 11.132 3.772 0.300 1.00 0.00 C ATOM 506 OD1 ASP A 33 11.768 4.807 0.308 1.00 0.00 O ATOM 507 OD2 ASP A 33 10.229 3.507 -0.480 1.00 0.00 O ATOM 0 H ASP A 33 12.607 1.871 3.466 1.00 0.00 H new ATOM 0 HA ASP A 33 11.569 4.385 2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.519 2.422 1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.869 1.832 1.252 1.00 0.00 H new ATOM 512 N VAL A 34 8.977 3.886 2.059 1.00 0.00 N ATOM 513 CA VAL A 34 7.521 4.095 1.948 1.00 0.00 C ATOM 514 C VAL A 34 6.879 2.906 1.230 1.00 0.00 C ATOM 515 O VAL A 34 7.412 1.842 0.991 1.00 0.00 O ATOM 516 CB VAL A 34 7.293 5.381 1.100 1.00 0.00 C ATOM 517 CG1 VAL A 34 6.076 6.231 1.471 1.00 0.00 C ATOM 518 CG2 VAL A 34 8.497 6.314 1.200 1.00 0.00 C ATOM 0 H VAL A 34 9.449 4.160 1.198 1.00 0.00 H new ATOM 0 HA VAL A 34 7.077 4.193 2.938 1.00 0.00 H new ATOM 0 HB VAL A 34 7.129 4.981 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.023 7.098 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.169 5.636 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.168 6.566 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.317 7.206 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.650 6.601 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.386 5.802 0.831 1.00 0.00 H new ATOM 528 N LEU A 35 5.663 3.234 0.934 1.00 0.00 N ATOM 529 CA LEU A 35 4.717 2.354 0.204 1.00 0.00 C ATOM 530 C LEU A 35 3.999 3.382 -0.696 1.00 0.00 C ATOM 531 O LEU A 35 4.524 3.716 -1.737 1.00 0.00 O ATOM 532 CB LEU A 35 3.718 1.637 1.192 1.00 0.00 C ATOM 533 CG LEU A 35 2.836 0.540 0.462 1.00 0.00 C ATOM 534 CD1 LEU A 35 3.701 -0.686 0.097 1.00 0.00 C ATOM 535 CD2 LEU A 35 1.667 0.055 1.365 1.00 0.00 C ATOM 0 H LEU A 35 5.260 4.137 1.185 1.00 0.00 H new ATOM 0 HA LEU A 35 5.186 1.535 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.281 1.169 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.065 2.381 1.648 1.00 0.00 H new ATOM 0 HG LEU A 35 2.429 1.003 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.083 -1.431 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.507 -0.377 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.124 -1.116 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.084 -0.696 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.070 -0.380 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.027 0.900 1.617 1.00 0.00 H new ATOM 547 N CYS A 36 2.861 3.884 -0.290 1.00 0.00 N ATOM 548 CA CYS A 36 2.102 4.885 -1.129 1.00 0.00 C ATOM 549 C CYS A 36 1.865 6.193 -0.361 1.00 0.00 C ATOM 550 O CYS A 36 2.286 6.320 0.774 1.00 0.00 O ATOM 551 CB CYS A 36 0.734 4.297 -1.506 1.00 0.00 C ATOM 552 SG CYS A 36 0.520 2.505 -1.382 1.00 0.00 S ATOM 0 H CYS A 36 2.413 3.646 0.595 1.00 0.00 H new ATOM 0 HA CYS A 36 2.697 5.097 -2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.018 4.768 -0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.516 4.590 -2.533 1.00 0.00 H new ATOM 0 HG CYS A 36 1.057 1.931 -2.418 1.00 0.00 H new ATOM 558 N GLU A 37 1.194 7.102 -1.023 1.00 0.00 N ATOM 559 CA GLU A 37 0.847 8.448 -0.463 1.00 0.00 C ATOM 560 C GLU A 37 -0.703 8.316 -0.560 1.00 0.00 C ATOM 561 O GLU A 37 -1.205 8.269 -1.670 1.00 0.00 O ATOM 562 CB GLU A 37 1.534 9.553 -1.441 1.00 0.00 C ATOM 563 CG GLU A 37 1.938 10.910 -0.727 1.00 0.00 C ATOM 564 CD GLU A 37 2.799 11.822 -1.621 1.00 0.00 C ATOM 565 OE1 GLU A 37 2.272 12.261 -2.619 1.00 0.00 O ATOM 566 OE2 GLU A 37 3.954 12.061 -1.302 1.00 0.00 O ATOM 0 H GLU A 37 0.856 6.959 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 37 1.175 8.740 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.425 9.116 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.844 9.778 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.034 11.444 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.485 10.685 0.188 1.00 0.00 H new ATOM 573 N VAL A 38 -1.416 8.239 0.541 1.00 0.00 N ATOM 574 CA VAL A 38 -2.919 8.103 0.503 1.00 0.00 C ATOM 575 C VAL A 38 -3.628 9.265 1.215 1.00 0.00 C ATOM 576 O VAL A 38 -3.096 9.856 2.135 1.00 0.00 O ATOM 577 CB VAL A 38 -3.294 6.738 1.181 1.00 0.00 C ATOM 578 CG1 VAL A 38 -4.821 6.421 1.138 1.00 0.00 C ATOM 579 CG2 VAL A 38 -2.514 5.607 0.468 1.00 0.00 C ATOM 0 H VAL A 38 -1.019 8.265 1.480 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.252 8.129 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.024 6.811 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.008 5.463 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.370 7.205 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.153 6.372 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.762 4.649 0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.787 5.586 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.443 5.788 0.562 1.00 0.00 H new ATOM 589 N GLN A 39 -4.819 9.540 0.758 1.00 0.00 N ATOM 590 CA GLN A 39 -5.639 10.640 1.337 1.00 0.00 C ATOM 591 C GLN A 39 -6.907 10.034 1.922 1.00 0.00 C ATOM 592 O GLN A 39 -7.369 9.003 1.475 1.00 0.00 O ATOM 593 CB GLN A 39 -5.980 11.625 0.206 1.00 0.00 C ATOM 594 CG GLN A 39 -7.041 12.687 0.623 1.00 0.00 C ATOM 595 CD GLN A 39 -7.246 13.690 -0.547 1.00 0.00 C ATOM 596 OE1 GLN A 39 -6.807 14.822 -0.461 1.00 0.00 O ATOM 597 NE2 GLN A 39 -7.868 13.372 -1.644 1.00 0.00 N ATOM 0 H GLN A 39 -5.267 9.037 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.102 11.169 2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.070 12.134 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.351 11.068 -0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.984 12.199 0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.712 13.216 1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.252 12.434 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.972 14.061 -2.389 1.00 0.00 H new ATOM 606 N ASN A 40 -7.415 10.699 2.915 1.00 0.00 N ATOM 607 CA ASN A 40 -8.661 10.269 3.605 1.00 0.00 C ATOM 608 C ASN A 40 -9.350 11.578 4.010 1.00 0.00 C ATOM 609 O ASN A 40 -8.839 12.635 3.725 1.00 0.00 O ATOM 610 CB ASN A 40 -8.357 9.428 4.864 1.00 0.00 C ATOM 611 CG ASN A 40 -7.527 10.224 5.848 1.00 0.00 C ATOM 612 OD1 ASN A 40 -6.322 10.302 5.740 1.00 0.00 O ATOM 613 ND2 ASN A 40 -8.118 10.833 6.817 1.00 0.00 N ATOM 0 H ASN A 40 -7.004 11.554 3.291 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.275 9.642 2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.290 9.117 5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.824 8.520 4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.573 11.376 7.486 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.131 10.772 6.915 1.00 0.00 H new ATOM 620 N ASP A 41 -10.481 11.436 4.643 1.00 0.00 N ATOM 621 CA ASP A 41 -11.353 12.580 5.133 1.00 0.00 C ATOM 622 C ASP A 41 -10.759 14.010 4.973 1.00 0.00 C ATOM 623 O ASP A 41 -11.275 14.766 4.171 1.00 0.00 O ATOM 624 CB ASP A 41 -11.736 12.293 6.649 1.00 0.00 C ATOM 625 CG ASP A 41 -10.890 13.017 7.672 1.00 0.00 C ATOM 626 OD1 ASP A 41 -9.796 12.534 7.910 1.00 0.00 O ATOM 627 OD2 ASP A 41 -11.401 14.025 8.129 1.00 0.00 O ATOM 0 H ASP A 41 -10.872 10.519 4.860 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.229 12.598 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.779 12.569 6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.660 11.221 6.830 1.00 0.00 H new ATOM 632 N LYS A 42 -9.747 14.347 5.721 1.00 0.00 N ATOM 633 CA LYS A 42 -9.080 15.683 5.647 1.00 0.00 C ATOM 634 C LYS A 42 -7.571 15.522 5.691 1.00 0.00 C ATOM 635 O LYS A 42 -6.850 16.419 5.295 1.00 0.00 O ATOM 636 CB LYS A 42 -9.415 16.593 6.823 1.00 0.00 C ATOM 637 CG LYS A 42 -10.877 16.921 6.748 1.00 0.00 C ATOM 638 CD LYS A 42 -11.186 18.051 7.747 1.00 0.00 C ATOM 639 CE LYS A 42 -12.705 18.314 7.702 1.00 0.00 C ATOM 640 NZ LYS A 42 -13.420 16.987 7.653 1.00 0.00 N ATOM 0 H LYS A 42 -9.334 13.722 6.414 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.439 16.124 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.182 16.099 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.817 17.503 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.143 17.229 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.474 16.039 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.877 17.767 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.634 18.954 7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.017 18.880 8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.960 18.914 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.396 17.106 7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.433 16.635 6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.925 16.303 8.260 1.00 0.00 H new ATOM 654 N ALA A 43 -7.110 14.408 6.177 1.00 0.00 N ATOM 655 CA ALA A 43 -5.631 14.220 6.245 1.00 0.00 C ATOM 656 C ALA A 43 -5.125 13.353 5.091 1.00 0.00 C ATOM 657 O ALA A 43 -5.893 12.706 4.404 1.00 0.00 O ATOM 658 CB ALA A 43 -5.342 13.584 7.601 1.00 0.00 C ATOM 0 H ALA A 43 -7.675 13.633 6.524 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.109 15.172 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.269 13.423 7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.689 14.246 8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.861 12.628 7.673 1.00 0.00 H new ATOM 664 N VAL A 44 -3.834 13.388 4.913 1.00 0.00 N ATOM 665 CA VAL A 44 -3.182 12.606 3.849 1.00 0.00 C ATOM 666 C VAL A 44 -2.015 11.938 4.582 1.00 0.00 C ATOM 667 O VAL A 44 -1.310 12.649 5.280 1.00 0.00 O ATOM 668 CB VAL A 44 -2.653 13.560 2.768 1.00 0.00 C ATOM 669 CG1 VAL A 44 -2.248 12.755 1.500 1.00 0.00 C ATOM 670 CG2 VAL A 44 -3.672 14.686 2.435 1.00 0.00 C ATOM 0 H VAL A 44 -3.195 13.944 5.481 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.842 11.894 3.354 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.765 14.057 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.874 13.439 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.469 12.038 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.117 12.223 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.256 15.337 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.599 14.242 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.876 15.269 3.333 1.00 0.00 H new ATOM 680 N VAL A 45 -1.825 10.661 4.448 1.00 0.00 N ATOM 681 CA VAL A 45 -0.683 10.014 5.146 1.00 0.00 C ATOM 682 C VAL A 45 0.057 9.247 4.078 1.00 0.00 C ATOM 683 O VAL A 45 -0.330 9.103 2.933 1.00 0.00 O ATOM 684 CB VAL A 45 -1.158 9.009 6.248 1.00 0.00 C ATOM 685 CG1 VAL A 45 -0.106 8.853 7.414 1.00 0.00 C ATOM 686 CG2 VAL A 45 -2.416 9.565 6.820 1.00 0.00 C ATOM 0 H VAL A 45 -2.407 10.037 3.888 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.072 10.766 5.644 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.293 8.025 5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.483 8.145 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.836 8.485 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.057 9.820 7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.789 8.897 7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.217 10.547 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.164 9.659 6.032 1.00 0.00 H new ATOM 696 N GLU A 46 1.128 8.776 4.587 1.00 0.00 N ATOM 697 CA GLU A 46 2.113 7.971 3.857 1.00 0.00 C ATOM 698 C GLU A 46 2.189 6.659 4.615 1.00 0.00 C ATOM 699 O GLU A 46 1.726 6.576 5.741 1.00 0.00 O ATOM 700 CB GLU A 46 3.384 8.763 3.907 1.00 0.00 C ATOM 701 CG GLU A 46 3.738 9.101 5.384 1.00 0.00 C ATOM 702 CD GLU A 46 5.014 9.916 5.368 1.00 0.00 C ATOM 703 OE1 GLU A 46 4.919 10.994 4.809 1.00 0.00 O ATOM 704 OE2 GLU A 46 5.977 9.407 5.905 1.00 0.00 O ATOM 0 H GLU A 46 1.383 8.929 5.563 1.00 0.00 H new ATOM 0 HA GLU A 46 1.883 7.756 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.195 8.196 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.274 9.682 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.930 9.662 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.872 8.189 5.965 1.00 0.00 H new ATOM 711 N ILE A 47 2.747 5.665 4.000 1.00 0.00 N ATOM 712 CA ILE A 47 2.870 4.364 4.653 1.00 0.00 C ATOM 713 C ILE A 47 4.404 4.094 4.526 1.00 0.00 C ATOM 714 O ILE A 47 4.914 4.240 3.430 1.00 0.00 O ATOM 715 CB ILE A 47 1.963 3.395 3.843 1.00 0.00 C ATOM 716 CG1 ILE A 47 0.419 3.590 4.075 1.00 0.00 C ATOM 717 CG2 ILE A 47 2.356 1.990 4.162 1.00 0.00 C ATOM 718 CD1 ILE A 47 -0.096 4.820 3.315 1.00 0.00 C ATOM 0 H ILE A 47 3.127 5.710 3.055 1.00 0.00 H new ATOM 0 HA ILE A 47 2.559 4.270 5.693 1.00 0.00 H new ATOM 0 HB ILE A 47 2.124 3.626 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.118 2.701 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.219 3.705 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.727 1.300 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.400 1.833 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.228 1.810 5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.166 4.935 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.427 5.710 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.085 4.690 2.248 1.00 0.00 H new ATOM 730 N PRO A 48 5.089 3.727 5.590 1.00 0.00 N ATOM 731 CA PRO A 48 6.524 3.300 5.611 1.00 0.00 C ATOM 732 C PRO A 48 6.587 1.778 5.481 1.00 0.00 C ATOM 733 O PRO A 48 5.584 1.128 5.250 1.00 0.00 O ATOM 734 CB PRO A 48 7.019 3.836 6.944 1.00 0.00 C ATOM 735 CG PRO A 48 5.834 3.408 7.841 1.00 0.00 C ATOM 736 CD PRO A 48 4.546 3.707 6.978 1.00 0.00 C ATOM 0 HA PRO A 48 7.143 3.675 4.796 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.963 3.387 7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.169 4.916 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.898 2.352 8.103 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.823 3.969 8.776 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.784 2.938 7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.087 4.658 7.249 1.00 0.00 H new ATOM 744 N SER A 49 7.761 1.263 5.648 1.00 0.00 N ATOM 745 CA SER A 49 7.948 -0.219 5.550 1.00 0.00 C ATOM 746 C SER A 49 8.085 -0.783 6.989 1.00 0.00 C ATOM 747 O SER A 49 9.145 -0.701 7.563 1.00 0.00 O ATOM 748 CB SER A 49 9.242 -0.615 4.770 1.00 0.00 C ATOM 749 OG SER A 49 9.762 0.474 4.004 1.00 0.00 O ATOM 0 H SER A 49 8.607 1.796 5.849 1.00 0.00 H new ATOM 0 HA SER A 49 7.089 -0.624 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.000 -0.956 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.023 -1.452 4.107 1.00 0.00 H new ATOM 0 HG SER A 49 9.556 1.319 4.455 1.00 0.00 H new ATOM 755 N PRO A 50 7.028 -1.319 7.568 1.00 0.00 N ATOM 756 CA PRO A 50 7.162 -2.293 8.682 1.00 0.00 C ATOM 757 C PRO A 50 8.176 -3.380 8.329 1.00 0.00 C ATOM 758 O PRO A 50 8.983 -3.744 9.151 1.00 0.00 O ATOM 759 CB PRO A 50 5.727 -2.806 8.902 1.00 0.00 C ATOM 760 CG PRO A 50 4.894 -1.541 8.524 1.00 0.00 C ATOM 761 CD PRO A 50 5.606 -1.045 7.241 1.00 0.00 C ATOM 0 HA PRO A 50 7.556 -1.865 9.604 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.492 -3.659 8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.555 -3.120 9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.847 -1.784 8.340 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.913 -0.791 9.315 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.277 -1.586 6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.424 0.013 7.054 1.00 0.00 H new ATOM 769 N VAL A 51 8.098 -3.900 7.127 1.00 0.00 N ATOM 770 CA VAL A 51 9.052 -4.940 6.723 1.00 0.00 C ATOM 771 C VAL A 51 9.594 -4.613 5.354 1.00 0.00 C ATOM 772 O VAL A 51 9.072 -3.795 4.625 1.00 0.00 O ATOM 773 CB VAL A 51 8.318 -6.313 6.738 1.00 0.00 C ATOM 774 CG1 VAL A 51 6.780 -6.203 6.613 1.00 0.00 C ATOM 775 CG2 VAL A 51 8.825 -7.293 5.741 1.00 0.00 C ATOM 0 H VAL A 51 7.410 -3.639 6.420 1.00 0.00 H new ATOM 0 HA VAL A 51 9.895 -4.988 7.412 1.00 0.00 H new ATOM 0 HB VAL A 51 8.555 -6.696 7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.341 -7.201 6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.388 -5.619 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.525 -5.712 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.258 -8.220 5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.711 -6.883 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.879 -7.495 5.933 1.00 0.00 H new ATOM 785 N LYS A 52 10.631 -5.367 5.157 1.00 0.00 N ATOM 786 CA LYS A 52 11.455 -5.368 3.939 1.00 0.00 C ATOM 787 C LYS A 52 11.163 -6.723 3.279 1.00 0.00 C ATOM 788 O LYS A 52 10.994 -7.710 3.980 1.00 0.00 O ATOM 789 CB LYS A 52 12.943 -5.234 4.365 1.00 0.00 C ATOM 790 CG LYS A 52 13.646 -6.565 4.687 1.00 0.00 C ATOM 791 CD LYS A 52 13.254 -7.098 6.099 1.00 0.00 C ATOM 792 CE LYS A 52 13.593 -8.595 6.177 1.00 0.00 C ATOM 793 NZ LYS A 52 12.969 -9.307 5.004 1.00 0.00 N ATOM 0 H LYS A 52 10.958 -6.034 5.856 1.00 0.00 H new ATOM 0 HA LYS A 52 11.242 -4.552 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.491 -4.734 3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.998 -4.589 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.384 -7.307 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.726 -6.427 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.792 -6.549 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.190 -6.942 6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.674 -8.736 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.223 -9.016 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.694 -10.269 5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.127 -8.785 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.655 -9.359 4.224 1.00 0.00 H new ATOM 807 N GLY A 53 11.161 -6.780 1.994 1.00 0.00 N ATOM 808 CA GLY A 53 10.873 -8.059 1.257 1.00 0.00 C ATOM 809 C GLY A 53 10.789 -7.663 -0.214 1.00 0.00 C ATOM 810 O GLY A 53 11.436 -6.705 -0.586 1.00 0.00 O ATOM 0 H GLY A 53 11.350 -5.980 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.660 -8.795 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.940 -8.508 1.598 1.00 0.00 H new ATOM 814 N LYS A 54 10.038 -8.343 -1.028 1.00 0.00 N ATOM 815 CA LYS A 54 9.920 -8.007 -2.481 1.00 0.00 C ATOM 816 C LYS A 54 8.675 -7.154 -2.635 1.00 0.00 C ATOM 817 O LYS A 54 7.886 -6.979 -1.727 1.00 0.00 O ATOM 818 CB LYS A 54 9.781 -9.346 -3.321 1.00 0.00 C ATOM 819 CG LYS A 54 9.864 -9.194 -4.896 1.00 0.00 C ATOM 820 CD LYS A 54 11.232 -8.555 -5.291 1.00 0.00 C ATOM 821 CE LYS A 54 11.456 -8.459 -6.827 1.00 0.00 C ATOM 822 NZ LYS A 54 12.710 -7.710 -7.118 1.00 0.00 N ATOM 0 H LYS A 54 9.480 -9.147 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 54 10.798 -7.471 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.564 -10.034 -3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.827 -9.810 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.756 -10.169 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.044 -8.572 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.294 -7.556 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.038 -9.142 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.513 -9.459 -7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.608 -7.959 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.004 -7.893 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.544 -6.691 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.460 -8.022 -6.468 1.00 0.00 H new ATOM 836 N VAL A 55 8.549 -6.657 -3.827 1.00 0.00 N ATOM 837 CA VAL A 55 7.421 -5.797 -4.212 1.00 0.00 C ATOM 838 C VAL A 55 7.020 -6.654 -5.403 1.00 0.00 C ATOM 839 O VAL A 55 7.422 -6.419 -6.523 1.00 0.00 O ATOM 840 CB VAL A 55 7.848 -4.433 -4.669 1.00 0.00 C ATOM 841 CG1 VAL A 55 6.532 -3.675 -4.875 1.00 0.00 C ATOM 842 CG2 VAL A 55 8.602 -3.839 -3.504 1.00 0.00 C ATOM 0 H VAL A 55 9.217 -6.824 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 55 6.684 -5.573 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 55 8.463 -4.413 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.745 -2.660 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.931 -4.188 -5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.983 -3.637 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.946 -2.838 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.945 -3.782 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.461 -4.468 -3.268 1.00 0.00 H new ATOM 852 N LEU A 56 6.258 -7.652 -5.088 1.00 0.00 N ATOM 853 CA LEU A 56 5.765 -8.597 -6.130 1.00 0.00 C ATOM 854 C LEU A 56 5.013 -7.814 -7.215 1.00 0.00 C ATOM 855 O LEU A 56 5.588 -7.494 -8.235 1.00 0.00 O ATOM 856 CB LEU A 56 4.849 -9.642 -5.424 1.00 0.00 C ATOM 857 CG LEU A 56 5.675 -10.465 -4.378 1.00 0.00 C ATOM 858 CD1 LEU A 56 4.722 -11.253 -3.441 1.00 0.00 C ATOM 859 CD2 LEU A 56 6.564 -11.492 -5.118 1.00 0.00 C ATOM 0 H LEU A 56 5.947 -7.862 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 56 6.587 -9.118 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.022 -9.135 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.413 -10.313 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 56 6.283 -9.772 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.309 -11.821 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.073 -10.555 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.114 -11.937 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.139 -12.065 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.935 -12.168 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.245 -10.968 -5.788 1.00 0.00 H new ATOM 871 N GLU A 57 3.771 -7.508 -6.969 1.00 0.00 N ATOM 872 CA GLU A 57 2.981 -6.755 -7.985 1.00 0.00 C ATOM 873 C GLU A 57 2.139 -5.682 -7.316 1.00 0.00 C ATOM 874 O GLU A 57 1.956 -5.684 -6.111 1.00 0.00 O ATOM 875 CB GLU A 57 2.048 -7.700 -8.710 1.00 0.00 C ATOM 876 CG GLU A 57 2.793 -8.944 -9.210 1.00 0.00 C ATOM 877 CD GLU A 57 1.705 -9.889 -9.689 1.00 0.00 C ATOM 878 OE1 GLU A 57 1.131 -9.571 -10.715 1.00 0.00 O ATOM 879 OE2 GLU A 57 1.527 -10.859 -8.978 1.00 0.00 O ATOM 0 H GLU A 57 3.269 -7.745 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 57 3.679 -6.294 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.241 -8.001 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.589 -7.185 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.481 -8.694 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.385 -9.395 -8.414 1.00 0.00 H new ATOM 886 N ILE A 58 1.666 -4.814 -8.152 1.00 0.00 N ATOM 887 CA ILE A 58 0.811 -3.675 -7.750 1.00 0.00 C ATOM 888 C ILE A 58 -0.304 -3.888 -8.773 1.00 0.00 C ATOM 889 O ILE A 58 -0.011 -4.178 -9.918 1.00 0.00 O ATOM 890 CB ILE A 58 1.633 -2.380 -7.963 1.00 0.00 C ATOM 891 CG1 ILE A 58 2.923 -2.498 -7.093 1.00 0.00 C ATOM 892 CG2 ILE A 58 0.833 -1.112 -7.530 1.00 0.00 C ATOM 893 CD1 ILE A 58 3.797 -1.244 -7.246 1.00 0.00 C ATOM 0 H ILE A 58 1.849 -4.852 -9.155 1.00 0.00 H new ATOM 0 HA ILE A 58 0.450 -3.606 -6.724 1.00 0.00 H new ATOM 0 HB ILE A 58 1.869 -2.272 -9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.651 -2.632 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.489 -3.381 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.443 -0.223 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.081 -1.039 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.578 -1.186 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.691 -1.347 -6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.086 -1.127 -8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.235 -0.367 -6.925 1.00 0.00 H new ATOM 905 N LEU A 59 -1.517 -3.743 -8.346 1.00 0.00 N ATOM 906 CA LEU A 59 -2.663 -3.930 -9.271 1.00 0.00 C ATOM 907 C LEU A 59 -3.105 -2.565 -9.778 1.00 0.00 C ATOM 908 O LEU A 59 -3.163 -2.313 -10.965 1.00 0.00 O ATOM 909 CB LEU A 59 -3.804 -4.617 -8.508 1.00 0.00 C ATOM 910 CG LEU A 59 -3.430 -6.082 -8.132 1.00 0.00 C ATOM 911 CD1 LEU A 59 -2.588 -6.156 -6.838 1.00 0.00 C ATOM 912 CD2 LEU A 59 -4.742 -6.851 -7.866 1.00 0.00 C ATOM 0 H LEU A 59 -1.770 -3.501 -7.388 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.380 -4.551 -10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.031 -4.053 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.706 -4.615 -9.119 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.848 -6.503 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.352 -7.197 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.663 -5.595 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.154 -5.729 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.512 -7.883 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.282 -6.377 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.360 -6.837 -8.764 1.00 0.00 H new ATOM 924 N VAL A 60 -3.413 -1.713 -8.853 1.00 0.00 N ATOM 925 CA VAL A 60 -3.858 -0.342 -9.205 1.00 0.00 C ATOM 926 C VAL A 60 -2.645 0.395 -8.645 1.00 0.00 C ATOM 927 O VAL A 60 -2.341 0.156 -7.489 1.00 0.00 O ATOM 928 CB VAL A 60 -5.154 0.020 -8.424 1.00 0.00 C ATOM 929 CG1 VAL A 60 -5.765 1.317 -9.004 1.00 0.00 C ATOM 930 CG2 VAL A 60 -6.186 -1.142 -8.515 1.00 0.00 C ATOM 0 H VAL A 60 -3.376 -1.909 -7.853 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.105 -0.146 -10.248 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.902 0.177 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.673 1.569 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.047 2.131 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.007 1.166 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.087 -0.873 -7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.440 -1.322 -9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.755 -2.046 -8.086 1.00 0.00 H new ATOM 940 N PRO A 61 -1.956 1.232 -9.378 1.00 0.00 N ATOM 941 CA PRO A 61 -0.865 1.995 -8.745 1.00 0.00 C ATOM 942 C PRO A 61 -1.487 3.181 -7.982 1.00 0.00 C ATOM 943 O PRO A 61 -1.754 3.139 -6.796 1.00 0.00 O ATOM 944 CB PRO A 61 0.056 2.373 -9.961 1.00 0.00 C ATOM 945 CG PRO A 61 -0.573 1.623 -11.203 1.00 0.00 C ATOM 946 CD PRO A 61 -2.074 1.527 -10.838 1.00 0.00 C ATOM 0 HA PRO A 61 -0.273 1.472 -7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.076 3.451 -10.120 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.085 2.057 -9.789 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.419 2.178 -12.128 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.130 0.637 -11.345 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.613 2.454 -11.036 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.588 0.736 -11.385 1.00 0.00 H new ATOM 954 N GLU A 62 -1.705 4.188 -8.734 1.00 0.00 N ATOM 955 CA GLU A 62 -2.275 5.477 -8.301 1.00 0.00 C ATOM 956 C GLU A 62 -3.324 5.687 -9.362 1.00 0.00 C ATOM 957 O GLU A 62 -3.874 4.751 -9.919 1.00 0.00 O ATOM 958 CB GLU A 62 -1.089 6.491 -8.322 1.00 0.00 C ATOM 959 CG GLU A 62 -0.128 6.250 -9.559 1.00 0.00 C ATOM 960 CD GLU A 62 -0.905 6.049 -10.882 1.00 0.00 C ATOM 961 OE1 GLU A 62 -1.392 7.042 -11.379 1.00 0.00 O ATOM 962 OE2 GLU A 62 -0.984 4.914 -11.312 1.00 0.00 O ATOM 0 H GLU A 62 -1.491 4.172 -9.731 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.717 5.561 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.481 7.507 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.519 6.403 -7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.546 7.100 -9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.492 5.374 -9.368 1.00 0.00 H new ATOM 969 N GLY A 63 -3.544 6.937 -9.551 1.00 0.00 N ATOM 970 CA GLY A 63 -4.515 7.446 -10.547 1.00 0.00 C ATOM 971 C GLY A 63 -5.968 7.113 -10.259 1.00 0.00 C ATOM 972 O GLY A 63 -6.827 7.957 -10.409 1.00 0.00 O ATOM 0 H GLY A 63 -3.067 7.673 -9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.412 8.529 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.253 7.043 -11.525 1.00 0.00 H new ATOM 976 N THR A 64 -6.245 5.911 -9.854 1.00 0.00 N ATOM 977 CA THR A 64 -7.637 5.521 -9.567 1.00 0.00 C ATOM 978 C THR A 64 -7.786 5.354 -8.053 1.00 0.00 C ATOM 979 O THR A 64 -6.861 5.592 -7.301 1.00 0.00 O ATOM 980 CB THR A 64 -7.884 4.220 -10.389 1.00 0.00 C ATOM 981 OG1 THR A 64 -7.221 4.428 -11.639 1.00 0.00 O ATOM 982 CG2 THR A 64 -9.347 4.148 -10.861 1.00 0.00 C ATOM 0 H THR A 64 -5.553 5.176 -9.709 1.00 0.00 H new ATOM 0 HA THR A 64 -8.385 6.259 -9.857 1.00 0.00 H new ATOM 0 HB THR A 64 -7.582 3.362 -9.788 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.338 3.638 -12.207 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.500 3.233 -11.433 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.009 4.150 -9.995 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.569 5.010 -11.490 1.00 0.00 H new ATOM 990 N VAL A 65 -8.951 4.939 -7.664 1.00 0.00 N ATOM 991 CA VAL A 65 -9.255 4.736 -6.230 1.00 0.00 C ATOM 992 C VAL A 65 -9.407 3.229 -6.013 1.00 0.00 C ATOM 993 O VAL A 65 -9.705 2.499 -6.942 1.00 0.00 O ATOM 994 CB VAL A 65 -10.566 5.512 -5.951 1.00 0.00 C ATOM 995 CG1 VAL A 65 -10.850 5.590 -4.440 1.00 0.00 C ATOM 996 CG2 VAL A 65 -10.525 6.955 -6.577 1.00 0.00 C ATOM 0 H VAL A 65 -9.723 4.727 -8.296 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.481 5.098 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.378 4.962 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.776 6.140 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.948 4.582 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.028 6.103 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.461 7.471 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.694 7.515 -6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.392 6.880 -7.656 1.00 0.00 H new ATOM 1006 N ALA A 66 -9.192 2.831 -4.796 1.00 0.00 N ATOM 1007 CA ALA A 66 -9.288 1.420 -4.362 1.00 0.00 C ATOM 1008 C ALA A 66 -10.244 1.398 -3.179 1.00 0.00 C ATOM 1009 O ALA A 66 -10.646 2.423 -2.658 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.911 0.988 -3.952 1.00 0.00 C ATOM 0 H ALA A 66 -8.938 3.470 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.652 0.750 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.938 -0.051 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.232 1.083 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.561 1.618 -3.134 1.00 0.00 H new ATOM 1016 N THR A 67 -10.571 0.210 -2.798 1.00 0.00 N ATOM 1017 CA THR A 67 -11.484 -0.017 -1.654 1.00 0.00 C ATOM 1018 C THR A 67 -10.700 -0.996 -0.783 1.00 0.00 C ATOM 1019 O THR A 67 -9.492 -1.139 -0.875 1.00 0.00 O ATOM 1020 CB THR A 67 -12.845 -0.575 -2.255 1.00 0.00 C ATOM 1021 OG1 THR A 67 -13.693 -0.941 -1.169 1.00 0.00 O ATOM 1022 CG2 THR A 67 -12.648 -1.852 -3.048 1.00 0.00 C ATOM 0 H THR A 67 -10.235 -0.643 -3.244 1.00 0.00 H new ATOM 0 HA THR A 67 -11.766 0.849 -1.055 1.00 0.00 H new ATOM 0 HB THR A 67 -13.253 0.205 -2.898 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.688 -0.229 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.608 -2.191 -3.436 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.967 -1.664 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.227 -2.621 -2.401 1.00 0.00 H new ATOM 1030 N VAL A 68 -11.451 -1.639 0.036 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.966 -2.659 0.978 1.00 0.00 C ATOM 1032 C VAL A 68 -11.791 -3.798 0.355 1.00 0.00 C ATOM 1033 O VAL A 68 -12.813 -3.582 -0.276 1.00 0.00 O ATOM 1034 CB VAL A 68 -11.486 -2.524 2.337 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -11.095 -3.776 3.178 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -10.809 -1.348 2.844 1.00 0.00 C ATOM 0 H VAL A 68 -12.458 -1.486 0.094 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.882 -2.699 1.081 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.572 -2.439 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.485 -3.671 4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.517 -4.670 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.009 -3.865 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.131 -1.156 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.732 -1.513 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.055 -0.489 2.219 1.00 0.00 H new ATOM 1046 N GLY A 69 -11.323 -4.991 0.546 1.00 0.00 N ATOM 1047 CA GLY A 69 -12.066 -6.142 -0.027 1.00 0.00 C ATOM 1048 C GLY A 69 -11.292 -6.422 -1.322 1.00 0.00 C ATOM 1049 O GLY A 69 -11.245 -7.525 -1.817 1.00 0.00 O ATOM 0 H GLY A 69 -10.475 -5.220 1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.062 -7.002 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.109 -5.895 -0.223 1.00 0.00 H new ATOM 1053 N GLN A 70 -10.694 -5.375 -1.825 1.00 0.00 N ATOM 1054 CA GLN A 70 -9.884 -5.383 -3.067 1.00 0.00 C ATOM 1055 C GLN A 70 -8.462 -5.310 -2.520 1.00 0.00 C ATOM 1056 O GLN A 70 -8.269 -4.801 -1.435 1.00 0.00 O ATOM 1057 CB GLN A 70 -10.246 -4.122 -3.856 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.786 -4.187 -5.320 1.00 0.00 C ATOM 1059 CD GLN A 70 -10.179 -2.886 -6.019 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -11.272 -2.388 -5.858 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -9.341 -2.295 -6.807 1.00 0.00 N ATOM 0 H GLN A 70 -10.743 -4.455 -1.388 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.030 -6.236 -3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.326 -3.976 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.793 -3.255 -3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.707 -4.331 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.245 -5.039 -5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.415 -2.695 -6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.606 -1.429 -7.277 1.00 0.00 H new ATOM 1070 N THR A 71 -7.536 -5.798 -3.284 1.00 0.00 N ATOM 1071 CA THR A 71 -6.112 -5.778 -2.869 1.00 0.00 C ATOM 1072 C THR A 71 -5.596 -4.490 -3.538 1.00 0.00 C ATOM 1073 O THR A 71 -6.314 -3.797 -4.236 1.00 0.00 O ATOM 1074 CB THR A 71 -5.411 -6.955 -3.479 1.00 0.00 C ATOM 1075 OG1 THR A 71 -6.377 -8.006 -3.471 1.00 0.00 O ATOM 1076 CG2 THR A 71 -4.201 -7.507 -2.694 1.00 0.00 C ATOM 0 H THR A 71 -7.708 -6.219 -4.197 1.00 0.00 H new ATOM 0 HA THR A 71 -5.960 -5.814 -1.790 1.00 0.00 H new ATOM 0 HB THR A 71 -5.032 -6.630 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.984 -8.815 -3.861 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.776 -8.355 -3.230 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.447 -6.727 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.526 -7.829 -1.705 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.349 -4.240 -3.312 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.682 -3.035 -3.883 1.00 0.00 C ATOM 1086 C LEU A 72 -2.320 -3.501 -4.352 1.00 0.00 C ATOM 1087 O LEU A 72 -2.020 -3.587 -5.525 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.545 -1.938 -2.780 1.00 0.00 C ATOM 1089 CG LEU A 72 -2.668 -0.744 -3.270 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -3.229 -0.118 -4.569 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -2.613 0.335 -2.171 1.00 0.00 C ATOM 0 H LEU A 72 -3.742 -4.830 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.251 -2.599 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.534 -1.575 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.102 -2.374 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.669 -1.126 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.591 0.710 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.252 -0.872 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.239 0.250 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.001 1.170 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.622 0.688 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.178 -0.089 -1.266 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.543 -3.790 -3.361 1.00 0.00 N ATOM 1104 CA ILE A 73 -0.155 -4.266 -3.538 1.00 0.00 C ATOM 1105 C ILE A 73 -0.009 -5.302 -2.441 1.00 0.00 C ATOM 1106 O ILE A 73 -0.810 -5.310 -1.519 1.00 0.00 O ATOM 1107 CB ILE A 73 0.782 -3.040 -3.337 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.270 -3.493 -3.469 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.510 -2.405 -1.915 1.00 0.00 C ATOM 1110 CD1 ILE A 73 3.242 -2.294 -3.399 1.00 0.00 C ATOM 0 H ILE A 73 -1.829 -3.711 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 73 0.086 -4.693 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 73 0.583 -2.287 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.507 -4.200 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.408 -4.018 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.164 -1.545 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.530 -2.084 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.708 -3.147 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.267 -2.651 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.022 -1.600 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.123 -1.784 -2.443 1.00 0.00 H new ATOM 1122 N THR A 74 0.971 -6.125 -2.581 1.00 0.00 N ATOM 1123 CA THR A 74 1.220 -7.155 -1.560 1.00 0.00 C ATOM 1124 C THR A 74 2.731 -7.121 -1.409 1.00 0.00 C ATOM 1125 O THR A 74 3.455 -6.656 -2.275 1.00 0.00 O ATOM 1126 CB THR A 74 0.668 -8.521 -2.061 1.00 0.00 C ATOM 1127 OG1 THR A 74 1.156 -9.458 -1.113 1.00 0.00 O ATOM 1128 CG2 THR A 74 1.280 -8.993 -3.371 1.00 0.00 C ATOM 0 H THR A 74 1.619 -6.129 -3.369 1.00 0.00 H new ATOM 0 HA THR A 74 0.727 -6.992 -0.601 1.00 0.00 H new ATOM 0 HB THR A 74 -0.411 -8.430 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.808 -9.236 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.843 -9.951 -3.652 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.079 -8.259 -4.152 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.357 -9.107 -3.249 1.00 0.00 H new ATOM 1136 N LEU A 75 3.132 -7.639 -0.295 1.00 0.00 N ATOM 1137 CA LEU A 75 4.575 -7.713 0.087 1.00 0.00 C ATOM 1138 C LEU A 75 4.852 -9.124 0.599 1.00 0.00 C ATOM 1139 O LEU A 75 3.963 -9.754 1.160 1.00 0.00 O ATOM 1140 CB LEU A 75 4.784 -6.665 1.160 1.00 0.00 C ATOM 1141 CG LEU A 75 6.153 -5.927 1.106 1.00 0.00 C ATOM 1142 CD1 LEU A 75 6.158 -4.762 2.125 1.00 0.00 C ATOM 1143 CD2 LEU A 75 7.281 -6.887 1.532 1.00 0.00 C ATOM 0 H LEU A 75 2.499 -8.033 0.401 1.00 0.00 H new ATOM 0 HA LEU A 75 5.255 -7.521 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.987 -5.925 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.684 -7.141 2.135 1.00 0.00 H new ATOM 0 HG LEU A 75 6.305 -5.566 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.118 -4.247 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.360 -4.061 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.000 -5.156 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.237 -6.365 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.099 -7.234 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.306 -7.742 0.856 1.00 0.00 H new ATOM 1155 N ASP A 76 6.045 -9.607 0.426 1.00 0.00 N ATOM 1156 CA ASP A 76 6.353 -10.977 0.922 1.00 0.00 C ATOM 1157 C ASP A 76 7.271 -10.688 2.095 1.00 0.00 C ATOM 1158 O ASP A 76 7.965 -9.692 2.141 1.00 0.00 O ATOM 1159 CB ASP A 76 7.070 -11.816 -0.165 1.00 0.00 C ATOM 1160 CG ASP A 76 8.571 -11.684 -0.122 1.00 0.00 C ATOM 1161 OD1 ASP A 76 9.153 -12.429 0.632 1.00 0.00 O ATOM 1162 OD2 ASP A 76 9.053 -10.849 -0.840 1.00 0.00 O ATOM 0 H ASP A 76 6.816 -9.121 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 76 5.471 -11.559 1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.800 -12.865 -0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.712 -11.508 -1.148 1.00 0.00 H new ATOM 1167 N ALA A 77 7.214 -11.573 3.031 1.00 0.00 N ATOM 1168 CA ALA A 77 8.036 -11.452 4.251 1.00 0.00 C ATOM 1169 C ALA A 77 8.466 -12.894 4.564 1.00 0.00 C ATOM 1170 O ALA A 77 7.671 -13.563 5.187 1.00 0.00 O ATOM 1171 CB ALA A 77 7.153 -10.869 5.376 1.00 0.00 C ATOM 0 H ALA A 77 6.616 -12.399 3.002 1.00 0.00 H new ATOM 0 HA ALA A 77 8.901 -10.797 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.742 -10.772 6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.783 -9.888 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.310 -11.535 5.559 1.00 0.00 H new ATOM 1177 N PRO A 78 9.609 -13.393 4.161 1.00 0.00 N ATOM 1178 CA PRO A 78 10.108 -14.751 4.548 1.00 0.00 C ATOM 1179 C PRO A 78 9.974 -15.134 6.032 1.00 0.00 C ATOM 1180 O PRO A 78 10.966 -15.210 6.731 1.00 0.00 O ATOM 1181 CB PRO A 78 11.579 -14.768 4.042 1.00 0.00 C ATOM 1182 CG PRO A 78 11.921 -13.260 3.873 1.00 0.00 C ATOM 1183 CD PRO A 78 10.597 -12.720 3.283 1.00 0.00 C ATOM 0 HA PRO A 78 9.483 -15.521 4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.244 -15.253 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.674 -15.309 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.173 -12.786 4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.766 -13.102 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.530 -11.634 3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.471 -12.990 2.235 1.00 0.00 H new ATOM 1191 N GLY A 79 8.777 -15.357 6.480 1.00 0.00 N ATOM 1192 CA GLY A 79 8.560 -15.737 7.899 1.00 0.00 C ATOM 1193 C GLY A 79 7.540 -14.845 8.612 1.00 0.00 C ATOM 1194 O GLY A 79 7.452 -14.978 9.817 1.00 0.00 O ATOM 0 H GLY A 79 7.928 -15.292 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.222 -16.772 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.510 -15.689 8.431 1.00 0.00 H new ATOM 1198 N TYR A 80 6.824 -13.990 7.916 1.00 0.00 N ATOM 1199 CA TYR A 80 5.807 -13.107 8.578 1.00 0.00 C ATOM 1200 C TYR A 80 4.527 -13.223 7.708 1.00 0.00 C ATOM 1201 O TYR A 80 4.638 -13.566 6.531 1.00 0.00 O ATOM 1202 CB TYR A 80 6.146 -11.587 8.583 1.00 0.00 C ATOM 1203 CG TYR A 80 7.482 -11.118 9.197 1.00 0.00 C ATOM 1204 CD1 TYR A 80 8.206 -11.849 10.114 1.00 0.00 C ATOM 1205 CD2 TYR A 80 7.968 -9.882 8.805 1.00 0.00 C ATOM 1206 CE1 TYR A 80 9.392 -11.360 10.622 1.00 0.00 C ATOM 1207 CE2 TYR A 80 9.155 -9.398 9.307 1.00 0.00 C ATOM 1208 CZ TYR A 80 9.879 -10.134 10.217 1.00 0.00 C ATOM 1209 OH TYR A 80 11.072 -9.629 10.696 1.00 0.00 O ATOM 1210 OXT TYR A 80 3.487 -12.935 8.265 1.00 0.00 O ATOM 0 H TYR A 80 6.902 -13.865 6.907 1.00 0.00 H new ATOM 0 HA TYR A 80 5.734 -13.432 9.616 1.00 0.00 H new ATOM 0 HB2 TYR A 80 6.120 -11.241 7.550 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.343 -11.073 9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.842 -12.813 10.438 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.408 -9.290 8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.945 -11.943 11.344 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.520 -8.434 8.985 1.00 0.00 H new ATOM 0 HH TYR A 80 11.243 -8.754 10.290 1.00 0.00 H new