USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 GLN : amide:sc= 0.38 X(o=0.71,f=0.95) USER MOD Set 2.2: A 7 TYR OH : rot -34:sc= 0.33 USER MOD Single : A 1 MET CE :methyl -116:sc= -0.0967 (180deg=-0.532) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.24 (180deg=-0.693) USER MOD Single : A 2 MET CE :methyl -110:sc= 0 (180deg=-0.904) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -174:sc= -0.516 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.26 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0626) USER MOD Single : A 20 ASN : amide:sc= -2.09 K(o=-2.1,f=-1.4) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 163:sc=-0.00675 (180deg=-0.174) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= -0.0711 (180deg=-0.43) USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000856) USER MOD Single : A 77 SER OG : rot -73:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.329 -10.747 -8.237 1.00 0.00 N ATOM 2 CA MET A 1 4.920 -9.384 -8.304 1.00 0.00 C ATOM 3 C MET A 1 3.837 -8.314 -8.366 1.00 0.00 C ATOM 4 O MET A 1 3.622 -7.694 -9.407 1.00 0.00 O ATOM 5 CB MET A 1 5.831 -9.293 -9.537 1.00 0.00 C ATOM 6 CG MET A 1 5.432 -10.221 -10.678 1.00 0.00 C ATOM 7 SD MET A 1 3.896 -9.720 -11.479 1.00 0.00 S ATOM 8 CE MET A 1 4.423 -8.227 -12.317 1.00 0.00 C ATOM 0 H1 MET A 1 5.048 -11.451 -8.500 1.00 0.00 H new ATOM 0 H2 MET A 1 3.998 -10.935 -7.269 1.00 0.00 H new ATOM 0 H3 MET A 1 3.527 -10.810 -8.896 1.00 0.00 H new ATOM 0 HA MET A 1 5.503 -9.208 -7.400 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.829 -8.266 -9.901 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.853 -9.523 -9.237 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.232 -10.245 -11.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.323 -11.235 -10.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.888 -7.371 -11.906 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.495 -8.088 -12.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.207 -8.312 -13.382 1.00 0.00 H new ATOM 20 N MET A 2 3.154 -8.096 -7.242 1.00 0.00 N ATOM 21 CA MET A 2 2.100 -7.092 -7.187 1.00 0.00 C ATOM 22 C MET A 2 2.684 -5.705 -6.921 1.00 0.00 C ATOM 23 O MET A 2 3.261 -5.457 -5.864 1.00 0.00 O ATOM 24 CB MET A 2 1.078 -7.450 -6.105 1.00 0.00 C ATOM 25 CG MET A 2 -0.339 -7.608 -6.636 1.00 0.00 C ATOM 26 SD MET A 2 -1.565 -6.770 -5.611 1.00 0.00 S ATOM 27 CE MET A 2 -1.988 -8.071 -4.456 1.00 0.00 C ATOM 0 H MET A 2 3.312 -8.597 -6.368 1.00 0.00 H new ATOM 0 HA MET A 2 1.598 -7.074 -8.154 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.382 -8.379 -5.622 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.086 -6.675 -5.339 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.388 -7.213 -7.651 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.584 -8.668 -6.695 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.002 -8.419 -4.655 1.00 0.00 H new ATOM 0 HE2 MET A 2 -1.290 -8.901 -4.571 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.930 -7.687 -3.438 1.00 0.00 H new ATOM 37 N LYS A 3 2.526 -4.804 -7.883 1.00 0.00 N ATOM 38 CA LYS A 3 3.034 -3.444 -7.738 1.00 0.00 C ATOM 39 C LYS A 3 2.231 -2.697 -6.678 1.00 0.00 C ATOM 40 O LYS A 3 1.019 -2.526 -6.810 1.00 0.00 O ATOM 41 CB LYS A 3 2.963 -2.699 -9.074 1.00 0.00 C ATOM 42 CG LYS A 3 1.617 -2.814 -9.769 1.00 0.00 C ATOM 43 CD LYS A 3 1.466 -1.767 -10.862 1.00 0.00 C ATOM 44 CE LYS A 3 0.386 -2.156 -11.859 1.00 0.00 C ATOM 45 NZ LYS A 3 0.729 -1.726 -13.243 1.00 0.00 N ATOM 0 H LYS A 3 2.053 -4.988 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 3 4.077 -3.494 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.185 -1.645 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.738 -3.085 -9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.512 -3.810 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.817 -2.697 -9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.220 -0.804 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.416 -1.643 -11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.245 -3.237 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.561 -1.705 -11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.032 -2.009 -13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.839 -0.692 -13.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.620 -2.176 -13.536 1.00 0.00 H new ATOM 59 N ILE A 4 2.909 -2.277 -5.614 1.00 0.00 N ATOM 60 CA ILE A 4 2.249 -1.575 -4.520 1.00 0.00 C ATOM 61 C ILE A 4 2.959 -0.271 -4.171 1.00 0.00 C ATOM 62 O ILE A 4 4.145 -0.260 -3.854 1.00 0.00 O ATOM 63 CB ILE A 4 2.175 -2.466 -3.268 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.635 -3.850 -3.654 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.317 -1.808 -2.197 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.146 -4.680 -2.486 1.00 0.00 C ATOM 0 H ILE A 4 3.912 -2.410 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 4 1.241 -1.337 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 4 3.174 -2.593 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.815 -3.722 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.420 -4.401 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.275 -2.451 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.751 -0.847 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.309 -1.654 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.782 -5.641 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.966 -4.843 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.337 -4.154 -1.979 1.00 0.00 H new ATOM 78 N GLN A 5 2.217 0.827 -4.231 1.00 0.00 N ATOM 79 CA GLN A 5 2.769 2.145 -3.918 1.00 0.00 C ATOM 80 C GLN A 5 2.168 2.707 -2.634 1.00 0.00 C ATOM 81 O GLN A 5 0.978 2.530 -2.368 1.00 0.00 O ATOM 82 CB GLN A 5 2.519 3.113 -5.075 1.00 0.00 C ATOM 83 CG GLN A 5 3.156 2.675 -6.384 1.00 0.00 C ATOM 84 CD GLN A 5 2.138 2.457 -7.486 1.00 0.00 C ATOM 85 OE1 GLN A 5 1.680 3.407 -8.122 1.00 0.00 O ATOM 86 NE2 GLN A 5 1.777 1.200 -7.718 1.00 0.00 N ATOM 0 H GLN A 5 1.231 0.834 -4.493 1.00 0.00 H new ATOM 0 HA GLN A 5 3.843 2.030 -3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.444 3.221 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.904 4.096 -4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.875 3.429 -6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.713 1.752 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.182 0.443 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.095 0.992 -8.447 1.00 0.00 H new ATOM 95 N ILE A 6 2.990 3.399 -1.843 1.00 0.00 N ATOM 96 CA ILE A 6 2.515 3.996 -0.595 1.00 0.00 C ATOM 97 C ILE A 6 2.716 5.509 -0.608 1.00 0.00 C ATOM 98 O ILE A 6 3.841 5.996 -0.492 1.00 0.00 O ATOM 99 CB ILE A 6 3.229 3.404 0.638 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.735 3.273 0.384 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.623 2.056 1.006 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.112 2.092 -0.487 1.00 0.00 C ATOM 0 H ILE A 6 3.978 3.559 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 6 1.452 3.765 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 6 3.088 4.085 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.095 4.188 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.248 3.184 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.138 1.652 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.565 2.183 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.732 1.367 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.194 2.068 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.785 1.168 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.629 2.188 -1.459 1.00 0.00 H new ATOM 114 N TYR A 7 1.620 6.251 -0.768 1.00 0.00 N ATOM 115 CA TYR A 7 1.685 7.706 -0.815 1.00 0.00 C ATOM 116 C TYR A 7 1.497 8.316 0.568 1.00 0.00 C ATOM 117 O TYR A 7 0.406 8.281 1.134 1.00 0.00 O ATOM 118 CB TYR A 7 0.641 8.243 -1.798 1.00 0.00 C ATOM 119 CG TYR A 7 0.803 7.659 -3.188 1.00 0.00 C ATOM 120 CD1 TYR A 7 0.289 6.407 -3.485 1.00 0.00 C ATOM 121 CD2 TYR A 7 1.490 8.336 -4.192 1.00 0.00 C ATOM 122 CE1 TYR A 7 0.450 5.841 -4.732 1.00 0.00 C ATOM 123 CE2 TYR A 7 1.651 7.779 -5.444 1.00 0.00 C ATOM 124 CZ TYR A 7 1.132 6.531 -5.709 1.00 0.00 C ATOM 125 OH TYR A 7 1.295 5.971 -6.956 1.00 0.00 O ATOM 0 H TYR A 7 0.680 5.867 -0.867 1.00 0.00 H new ATOM 0 HA TYR A 7 2.677 7.995 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.357 8.014 -1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.720 9.329 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.249 5.863 -2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.903 9.313 -3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.044 4.862 -4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.182 8.320 -6.213 1.00 0.00 H new ATOM 0 HH TYR A 7 1.392 5.000 -6.868 1.00 0.00 H new ATOM 135 N GLY A 8 2.580 8.872 1.104 1.00 0.00 N ATOM 136 CA GLY A 8 2.531 9.483 2.419 1.00 0.00 C ATOM 137 C GLY A 8 3.899 9.928 2.897 1.00 0.00 C ATOM 138 O GLY A 8 4.392 10.982 2.496 1.00 0.00 O ATOM 0 H GLY A 8 3.492 8.910 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.860 10.342 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.113 8.773 3.132 1.00 0.00 H new ATOM 142 N THR A 9 4.515 9.119 3.756 1.00 0.00 N ATOM 143 CA THR A 9 5.839 9.425 4.293 1.00 0.00 C ATOM 144 C THR A 9 5.889 10.832 4.885 1.00 0.00 C ATOM 145 O THR A 9 6.011 11.819 4.159 1.00 0.00 O ATOM 146 CB THR A 9 6.932 9.292 3.213 1.00 0.00 C ATOM 147 OG1 THR A 9 6.340 9.294 1.908 1.00 0.00 O ATOM 148 CG2 THR A 9 7.733 8.013 3.407 1.00 0.00 C ATOM 0 H THR A 9 4.117 8.244 4.096 1.00 0.00 H new ATOM 0 HA THR A 9 6.030 8.699 5.083 1.00 0.00 H new ATOM 0 HB THR A 9 7.606 10.144 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.030 9.116 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.498 7.942 2.633 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.209 8.027 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.067 7.153 3.339 1.00 0.00 H new ATOM 156 N GLY A 10 5.799 10.914 6.209 1.00 0.00 N ATOM 157 CA GLY A 10 5.841 12.203 6.877 1.00 0.00 C ATOM 158 C GLY A 10 4.459 12.729 7.223 1.00 0.00 C ATOM 159 O GLY A 10 4.290 13.923 7.474 1.00 0.00 O ATOM 0 H GLY A 10 5.698 10.112 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.431 12.116 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.350 12.923 6.236 1.00 0.00 H new ATOM 163 N CYS A 11 3.470 11.839 7.238 1.00 0.00 N ATOM 164 CA CYS A 11 2.099 12.223 7.558 1.00 0.00 C ATOM 165 C CYS A 11 1.165 11.021 7.470 1.00 0.00 C ATOM 166 O CYS A 11 0.280 10.847 8.308 1.00 0.00 O ATOM 167 CB CYS A 11 1.617 13.325 6.610 1.00 0.00 C ATOM 168 SG CYS A 11 0.602 14.591 7.408 1.00 0.00 S ATOM 0 H CYS A 11 3.593 10.848 7.032 1.00 0.00 H new ATOM 0 HA CYS A 11 2.085 12.602 8.580 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.484 13.803 6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.043 12.870 5.803 1.00 0.00 H new ATOM 0 HG CYS A 11 0.245 15.479 6.528 1.00 0.00 H new ATOM 174 N ALA A 12 1.368 10.196 6.450 1.00 0.00 N ATOM 175 CA ALA A 12 0.543 9.012 6.249 1.00 0.00 C ATOM 176 C ALA A 12 1.195 7.775 6.862 1.00 0.00 C ATOM 177 O ALA A 12 2.381 7.521 6.658 1.00 0.00 O ATOM 178 CB ALA A 12 0.282 8.797 4.765 1.00 0.00 C ATOM 0 H ALA A 12 2.097 10.326 5.749 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.410 9.173 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.335 7.909 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.236 9.665 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.230 8.663 4.245 1.00 0.00 H new ATOM 184 N ASN A 13 0.408 7.010 7.613 1.00 0.00 N ATOM 185 CA ASN A 13 0.898 5.795 8.258 1.00 0.00 C ATOM 186 C ASN A 13 1.039 4.635 7.268 1.00 0.00 C ATOM 187 O ASN A 13 1.069 3.472 7.671 1.00 0.00 O ATOM 188 CB ASN A 13 -0.040 5.390 9.398 1.00 0.00 C ATOM 189 CG ASN A 13 -0.168 6.472 10.453 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.719 7.310 10.611 1.00 0.00 O ATOM 191 ND2 ASN A 13 -1.278 6.457 11.182 1.00 0.00 N ATOM 0 H ASN A 13 -0.576 7.211 7.791 1.00 0.00 H new ATOM 0 HA ASN A 13 1.889 6.015 8.655 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.026 5.165 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.330 4.476 9.862 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.421 7.159 11.908 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.987 5.743 11.016 1.00 0.00 H new ATOM 198 N CYS A 14 1.123 4.948 5.975 1.00 0.00 N ATOM 199 CA CYS A 14 1.258 3.916 4.945 1.00 0.00 C ATOM 200 C CYS A 14 2.444 2.996 5.236 1.00 0.00 C ATOM 201 O CYS A 14 2.483 1.852 4.785 1.00 0.00 O ATOM 202 CB CYS A 14 1.426 4.552 3.562 1.00 0.00 C ATOM 203 SG CYS A 14 2.586 5.938 3.519 1.00 0.00 S ATOM 0 H CYS A 14 1.100 5.903 5.616 1.00 0.00 H new ATOM 0 HA CYS A 14 0.346 3.320 4.956 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.764 3.788 2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.453 4.896 3.212 1.00 0.00 H new ATOM 0 HG CYS A 14 2.660 6.405 2.308 1.00 0.00 H new ATOM 209 N GLN A 15 3.407 3.508 5.993 1.00 0.00 N ATOM 210 CA GLN A 15 4.596 2.754 6.353 1.00 0.00 C ATOM 211 C GLN A 15 4.227 1.443 7.051 1.00 0.00 C ATOM 212 O GLN A 15 4.921 0.435 6.909 1.00 0.00 O ATOM 213 CB GLN A 15 5.484 3.631 7.246 1.00 0.00 C ATOM 214 CG GLN A 15 5.565 3.184 8.700 1.00 0.00 C ATOM 215 CD GLN A 15 6.262 4.202 9.584 1.00 0.00 C ATOM 216 OE1 GLN A 15 7.462 4.099 9.839 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.511 5.189 10.056 1.00 0.00 N ATOM 0 H GLN A 15 3.384 4.455 6.372 1.00 0.00 H new ATOM 0 HA GLN A 15 5.145 2.487 5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.491 3.648 6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.109 4.654 7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.558 3.008 9.079 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.097 2.235 8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.520 5.234 9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.925 5.902 10.656 1.00 0.00 H new ATOM 226 N MET A 16 3.129 1.467 7.801 1.00 0.00 N ATOM 227 CA MET A 16 2.671 0.282 8.518 1.00 0.00 C ATOM 228 C MET A 16 2.294 -0.827 7.543 1.00 0.00 C ATOM 229 O MET A 16 2.904 -1.897 7.542 1.00 0.00 O ATOM 230 CB MET A 16 1.473 0.629 9.405 1.00 0.00 C ATOM 231 CG MET A 16 1.026 -0.516 10.299 1.00 0.00 C ATOM 232 SD MET A 16 0.025 0.039 11.692 1.00 0.00 S ATOM 233 CE MET A 16 -0.319 -1.519 12.505 1.00 0.00 C ATOM 0 H MET A 16 2.542 2.291 7.928 1.00 0.00 H new ATOM 0 HA MET A 16 3.487 -0.073 9.147 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.729 1.486 10.027 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.639 0.932 8.772 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.454 -1.231 9.708 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.904 -1.042 10.674 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.932 -1.341 13.389 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.853 -2.177 11.820 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.618 -1.989 12.802 1.00 0.00 H new ATOM 243 N LEU A 17 1.297 -0.565 6.706 1.00 0.00 N ATOM 244 CA LEU A 17 0.857 -1.545 5.721 1.00 0.00 C ATOM 245 C LEU A 17 1.960 -1.818 4.705 1.00 0.00 C ATOM 246 O LEU A 17 1.953 -2.843 4.029 1.00 0.00 O ATOM 247 CB LEU A 17 -0.400 -1.060 5.000 1.00 0.00 C ATOM 248 CG LEU A 17 -1.190 -2.154 4.274 1.00 0.00 C ATOM 249 CD1 LEU A 17 -2.670 -2.056 4.604 1.00 0.00 C ATOM 250 CD2 LEU A 17 -0.971 -2.063 2.770 1.00 0.00 C ATOM 0 H LEU A 17 0.780 0.314 6.690 1.00 0.00 H new ATOM 0 HA LEU A 17 0.625 -2.470 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.056 -0.580 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.114 -0.297 4.276 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.826 -3.123 4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.213 -2.842 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.812 -2.173 5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.049 -1.083 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.540 -2.848 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.305 -1.089 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.089 -2.187 2.549 1.00 0.00 H new ATOM 262 N GLU A 18 2.911 -0.893 4.603 1.00 0.00 N ATOM 263 CA GLU A 18 4.025 -1.055 3.656 1.00 0.00 C ATOM 264 C GLU A 18 4.796 -2.335 3.960 1.00 0.00 C ATOM 265 O GLU A 18 4.979 -3.185 3.087 1.00 0.00 O ATOM 266 CB GLU A 18 4.995 0.145 3.673 1.00 0.00 C ATOM 267 CG GLU A 18 6.144 -0.002 2.688 1.00 0.00 C ATOM 268 CD GLU A 18 7.127 1.150 2.765 1.00 0.00 C ATOM 269 OE1 GLU A 18 6.732 2.237 3.239 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.291 0.966 2.351 1.00 0.00 O ATOM 0 H GLU A 18 2.939 -0.034 5.152 1.00 0.00 H new ATOM 0 HA GLU A 18 3.586 -1.111 2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.441 1.055 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.399 0.263 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.669 -0.937 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.744 -0.067 1.676 1.00 0.00 H new ATOM 277 N LYS A 19 5.243 -2.470 5.205 1.00 0.00 N ATOM 278 CA LYS A 19 5.991 -3.651 5.623 1.00 0.00 C ATOM 279 C LYS A 19 5.084 -4.878 5.680 1.00 0.00 C ATOM 280 O LYS A 19 5.407 -5.930 5.126 1.00 0.00 O ATOM 281 CB LYS A 19 6.638 -3.415 6.989 1.00 0.00 C ATOM 282 CG LYS A 19 7.864 -4.279 7.240 1.00 0.00 C ATOM 283 CD LYS A 19 7.481 -5.656 7.760 1.00 0.00 C ATOM 284 CE LYS A 19 8.220 -6.759 7.018 1.00 0.00 C ATOM 285 NZ LYS A 19 9.697 -6.629 7.157 1.00 0.00 N ATOM 0 H LYS A 19 5.101 -1.778 5.941 1.00 0.00 H new ATOM 0 HA LYS A 19 6.773 -3.834 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.921 -2.365 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.902 -3.609 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.432 -4.383 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.516 -3.786 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.706 -5.719 8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.406 -5.801 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.903 -7.729 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.951 -6.730 5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.156 -7.491 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.027 -5.809 6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.941 -6.495 8.159 1.00 0.00 H new ATOM 299 N ASN A 20 3.947 -4.733 6.353 1.00 0.00 N ATOM 300 CA ASN A 20 2.988 -5.829 6.486 1.00 0.00 C ATOM 301 C ASN A 20 2.588 -6.377 5.119 1.00 0.00 C ATOM 302 O ASN A 20 2.607 -7.587 4.894 1.00 0.00 O ATOM 303 CB ASN A 20 1.740 -5.361 7.240 1.00 0.00 C ATOM 304 CG ASN A 20 2.076 -4.546 8.474 1.00 0.00 C ATOM 305 OD1 ASN A 20 3.074 -4.801 9.148 1.00 0.00 O ATOM 306 ND2 ASN A 20 1.241 -3.559 8.776 1.00 0.00 N ATOM 0 H ASN A 20 3.665 -3.868 6.815 1.00 0.00 H new ATOM 0 HA ASN A 20 3.470 -6.626 7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.119 -4.763 6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.150 -6.229 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.415 -2.977 9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.426 -3.383 8.189 1.00 0.00 H new ATOM 313 N ALA A 21 2.223 -5.477 4.213 1.00 0.00 N ATOM 314 CA ALA A 21 1.812 -5.863 2.869 1.00 0.00 C ATOM 315 C ALA A 21 2.887 -6.689 2.171 1.00 0.00 C ATOM 316 O ALA A 21 2.584 -7.658 1.481 1.00 0.00 O ATOM 317 CB ALA A 21 1.478 -4.631 2.045 1.00 0.00 C ATOM 0 H ALA A 21 2.204 -4.472 4.386 1.00 0.00 H new ATOM 0 HA ALA A 21 0.921 -6.484 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.173 -4.935 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.665 -4.084 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.357 -3.989 1.977 1.00 0.00 H new ATOM 323 N ARG A 22 4.144 -6.295 2.344 1.00 0.00 N ATOM 324 CA ARG A 22 5.256 -7.004 1.719 1.00 0.00 C ATOM 325 C ARG A 22 5.273 -8.476 2.126 1.00 0.00 C ATOM 326 O ARG A 22 5.526 -9.353 1.299 1.00 0.00 O ATOM 327 CB ARG A 22 6.589 -6.340 2.092 1.00 0.00 C ATOM 328 CG ARG A 22 7.535 -6.173 0.914 1.00 0.00 C ATOM 329 CD ARG A 22 8.960 -6.552 1.286 1.00 0.00 C ATOM 330 NE ARG A 22 9.946 -5.809 0.505 1.00 0.00 N ATOM 331 CZ ARG A 22 10.304 -6.131 -0.736 1.00 0.00 C ATOM 332 NH1 ARG A 22 9.758 -7.178 -1.342 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.211 -5.403 -1.374 1.00 0.00 N ATOM 0 H ARG A 22 4.418 -5.492 2.909 1.00 0.00 H new ATOM 0 HA ARG A 22 5.121 -6.952 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.389 -5.361 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.080 -6.937 2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.197 -6.793 0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.510 -5.139 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.120 -6.362 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.104 -7.621 1.128 1.00 0.00 H new ATOM 0 HE ARG A 22 10.386 -4.996 0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.060 -7.741 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.037 -7.419 -2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.634 -4.597 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.486 -5.649 -2.325 1.00 0.00 H new ATOM 347 N GLU A 23 5.004 -8.744 3.400 1.00 0.00 N ATOM 348 CA GLU A 23 4.995 -10.115 3.900 1.00 0.00 C ATOM 349 C GLU A 23 3.746 -10.862 3.435 1.00 0.00 C ATOM 350 O GLU A 23 3.837 -11.969 2.909 1.00 0.00 O ATOM 351 CB GLU A 23 5.080 -10.127 5.431 1.00 0.00 C ATOM 352 CG GLU A 23 4.858 -11.499 6.048 1.00 0.00 C ATOM 353 CD GLU A 23 5.753 -11.755 7.245 1.00 0.00 C ATOM 354 OE1 GLU A 23 6.877 -12.264 7.048 1.00 0.00 O ATOM 355 OE2 GLU A 23 5.332 -11.443 8.378 1.00 0.00 O ATOM 0 H GLU A 23 4.791 -8.035 4.101 1.00 0.00 H new ATOM 0 HA GLU A 23 5.868 -10.626 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.060 -9.757 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.340 -9.435 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.816 -11.591 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.039 -12.265 5.294 1.00 0.00 H new ATOM 362 N ALA A 24 2.584 -10.252 3.640 1.00 0.00 N ATOM 363 CA ALA A 24 1.320 -10.868 3.249 1.00 0.00 C ATOM 364 C ALA A 24 1.245 -11.098 1.745 1.00 0.00 C ATOM 365 O ALA A 24 0.923 -12.195 1.297 1.00 0.00 O ATOM 366 CB ALA A 24 0.150 -10.013 3.713 1.00 0.00 C ATOM 0 H ALA A 24 2.490 -9.334 4.074 1.00 0.00 H new ATOM 0 HA ALA A 24 1.264 -11.843 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.786 -10.485 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.178 -9.917 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.219 -9.024 3.259 1.00 0.00 H new ATOM 372 N VAL A 25 1.539 -10.063 0.966 1.00 0.00 N ATOM 373 CA VAL A 25 1.495 -10.176 -0.487 1.00 0.00 C ATOM 374 C VAL A 25 2.353 -11.354 -0.963 1.00 0.00 C ATOM 375 O VAL A 25 1.859 -12.253 -1.643 1.00 0.00 O ATOM 376 CB VAL A 25 1.936 -8.849 -1.177 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.445 -8.645 -1.098 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.460 -8.825 -2.621 1.00 0.00 C ATOM 0 H VAL A 25 1.809 -9.143 1.313 1.00 0.00 H new ATOM 0 HA VAL A 25 0.461 -10.366 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 25 1.472 -8.022 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.712 -7.710 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.753 -8.606 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.951 -9.473 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.774 -7.894 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.892 -9.668 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.373 -8.896 -2.647 1.00 0.00 H new ATOM 388 N LYS A 26 3.625 -11.358 -0.581 1.00 0.00 N ATOM 389 CA LYS A 26 4.535 -12.437 -0.947 1.00 0.00 C ATOM 390 C LYS A 26 4.095 -13.757 -0.310 1.00 0.00 C ATOM 391 O LYS A 26 4.011 -14.784 -0.983 1.00 0.00 O ATOM 392 CB LYS A 26 5.961 -12.102 -0.501 1.00 0.00 C ATOM 393 CG LYS A 26 6.645 -11.061 -1.373 1.00 0.00 C ATOM 394 CD LYS A 26 7.654 -10.243 -0.582 1.00 0.00 C ATOM 395 CE LYS A 26 9.084 -10.591 -0.967 1.00 0.00 C ATOM 396 NZ LYS A 26 9.919 -10.910 0.224 1.00 0.00 N ATOM 0 H LYS A 26 4.051 -10.623 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 26 4.513 -12.546 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.935 -11.742 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.557 -13.014 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.148 -11.555 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.895 -10.397 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.478 -9.181 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.511 -10.420 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.080 -11.444 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.528 -9.755 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.886 -11.142 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.945 -10.088 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.511 -11.724 0.726 1.00 0.00 H new ATOM 410 N GLU A 27 3.823 -13.718 0.994 1.00 0.00 N ATOM 411 CA GLU A 27 3.399 -14.909 1.728 1.00 0.00 C ATOM 412 C GLU A 27 2.134 -15.516 1.127 1.00 0.00 C ATOM 413 O GLU A 27 2.030 -16.733 0.980 1.00 0.00 O ATOM 414 CB GLU A 27 3.165 -14.573 3.201 1.00 0.00 C ATOM 415 CG GLU A 27 2.875 -15.791 4.064 1.00 0.00 C ATOM 416 CD GLU A 27 2.953 -15.486 5.548 1.00 0.00 C ATOM 417 OE1 GLU A 27 3.939 -14.845 5.971 1.00 0.00 O ATOM 418 OE2 GLU A 27 2.030 -15.888 6.286 1.00 0.00 O ATOM 0 H GLU A 27 3.889 -12.874 1.564 1.00 0.00 H new ATOM 0 HA GLU A 27 4.199 -15.645 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.044 -14.062 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.330 -13.876 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.882 -16.172 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.585 -16.581 3.821 1.00 0.00 H new ATOM 425 N LEU A 28 1.176 -14.662 0.774 1.00 0.00 N ATOM 426 CA LEU A 28 -0.080 -15.121 0.182 1.00 0.00 C ATOM 427 C LEU A 28 0.183 -16.008 -1.033 1.00 0.00 C ATOM 428 O LEU A 28 -0.681 -16.780 -1.449 1.00 0.00 O ATOM 429 CB LEU A 28 -0.950 -13.927 -0.221 1.00 0.00 C ATOM 430 CG LEU A 28 -2.104 -13.614 0.733 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.176 -14.691 0.641 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.597 -13.480 2.163 1.00 0.00 C ATOM 0 H LEU A 28 1.244 -13.651 0.887 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.610 -15.709 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.315 -13.045 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.360 -14.115 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.546 -12.662 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.990 -14.454 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.560 -14.736 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.746 -15.656 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.433 -13.257 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.128 -14.414 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.867 -12.672 2.216 1.00 0.00 H new ATOM 444 N GLY A 29 1.381 -15.892 -1.596 1.00 0.00 N ATOM 445 CA GLY A 29 1.736 -16.688 -2.755 1.00 0.00 C ATOM 446 C GLY A 29 1.942 -15.844 -3.997 1.00 0.00 C ATOM 447 O GLY A 29 1.512 -16.217 -5.088 1.00 0.00 O ATOM 0 H GLY A 29 2.112 -15.260 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.648 -17.246 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.951 -17.420 -2.943 1.00 0.00 H new ATOM 451 N ILE A 30 2.608 -14.708 -3.829 1.00 0.00 N ATOM 452 CA ILE A 30 2.880 -13.810 -4.943 1.00 0.00 C ATOM 453 C ILE A 30 3.673 -12.593 -4.484 1.00 0.00 C ATOM 454 O ILE A 30 3.228 -11.826 -3.631 1.00 0.00 O ATOM 455 CB ILE A 30 1.582 -13.353 -5.635 1.00 0.00 C ATOM 456 CG1 ILE A 30 1.863 -12.235 -6.646 1.00 0.00 C ATOM 457 CG2 ILE A 30 0.557 -12.899 -4.606 1.00 0.00 C ATOM 458 CD1 ILE A 30 0.644 -11.817 -7.439 1.00 0.00 C ATOM 0 H ILE A 30 2.970 -14.387 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 30 3.475 -14.370 -5.664 1.00 0.00 H new ATOM 0 HB ILE A 30 1.172 -14.204 -6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.257 -11.368 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.639 -12.567 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.353 -12.580 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.326 -13.725 -3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.962 -12.066 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.917 -11.023 -8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.262 -12.672 -7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.126 -11.454 -6.758 1.00 0.00 H new ATOM 470 N ASP A 31 4.848 -12.430 -5.069 1.00 0.00 N ATOM 471 CA ASP A 31 5.725 -11.318 -4.745 1.00 0.00 C ATOM 472 C ASP A 31 5.067 -9.993 -5.095 1.00 0.00 C ATOM 473 O ASP A 31 4.088 -9.953 -5.836 1.00 0.00 O ATOM 474 CB ASP A 31 7.055 -11.453 -5.489 1.00 0.00 C ATOM 475 CG ASP A 31 8.176 -10.690 -4.811 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.822 -11.262 -3.908 1.00 0.00 O ATOM 477 OD2 ASP A 31 8.409 -9.521 -5.185 1.00 0.00 O ATOM 0 H ASP A 31 5.219 -13.062 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 31 5.916 -11.338 -3.672 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.325 -12.507 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.936 -11.088 -6.509 1.00 0.00 H new ATOM 482 N ALA A 32 5.611 -8.912 -4.555 1.00 0.00 N ATOM 483 CA ALA A 32 5.090 -7.584 -4.807 1.00 0.00 C ATOM 484 C ALA A 32 6.170 -6.555 -4.544 1.00 0.00 C ATOM 485 O ALA A 32 6.955 -6.692 -3.605 1.00 0.00 O ATOM 486 CB ALA A 32 3.864 -7.327 -3.951 1.00 0.00 C ATOM 0 H ALA A 32 6.420 -8.934 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 32 4.787 -7.506 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.484 -6.325 -4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.094 -8.061 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.132 -7.409 -2.898 1.00 0.00 H new ATOM 492 N GLU A 33 6.222 -5.533 -5.378 1.00 0.00 N ATOM 493 CA GLU A 33 7.227 -4.500 -5.224 1.00 0.00 C ATOM 494 C GLU A 33 6.616 -3.247 -4.621 1.00 0.00 C ATOM 495 O GLU A 33 5.696 -2.658 -5.188 1.00 0.00 O ATOM 496 CB GLU A 33 7.878 -4.172 -6.567 1.00 0.00 C ATOM 497 CG GLU A 33 8.822 -5.253 -7.067 1.00 0.00 C ATOM 498 CD GLU A 33 8.121 -6.285 -7.930 1.00 0.00 C ATOM 499 OE1 GLU A 33 7.435 -7.163 -7.365 1.00 0.00 O ATOM 500 OE2 GLU A 33 8.260 -6.217 -9.169 1.00 0.00 O ATOM 0 H GLU A 33 5.585 -5.397 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 33 7.996 -4.875 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.097 -4.012 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.428 -3.235 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.626 -4.791 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.283 -5.751 -6.214 1.00 0.00 H new ATOM 507 N PHE A 34 7.121 -2.853 -3.462 1.00 0.00 N ATOM 508 CA PHE A 34 6.608 -1.678 -2.781 1.00 0.00 C ATOM 509 C PHE A 34 7.531 -0.482 -2.941 1.00 0.00 C ATOM 510 O PHE A 34 8.621 -0.433 -2.370 1.00 0.00 O ATOM 511 CB PHE A 34 6.380 -1.988 -1.306 1.00 0.00 C ATOM 512 CG PHE A 34 5.448 -3.145 -1.105 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.846 -4.432 -1.424 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.167 -2.944 -0.618 1.00 0.00 C ATOM 515 CE1 PHE A 34 4.987 -5.497 -1.259 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.303 -4.005 -0.453 1.00 0.00 C ATOM 517 CZ PHE A 34 3.713 -5.283 -0.773 1.00 0.00 C ATOM 0 H PHE A 34 7.882 -3.328 -2.977 1.00 0.00 H new ATOM 0 HA PHE A 34 5.656 -1.414 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.336 -2.208 -0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.973 -1.106 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.841 -4.603 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.842 -1.946 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.310 -6.497 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.306 -3.836 -0.074 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.037 -6.116 -0.643 1.00 0.00 H new ATOM 527 N GLU A 35 7.067 0.486 -3.718 1.00 0.00 N ATOM 528 CA GLU A 35 7.818 1.707 -3.962 1.00 0.00 C ATOM 529 C GLU A 35 7.156 2.872 -3.243 1.00 0.00 C ATOM 530 O GLU A 35 5.975 3.160 -3.456 1.00 0.00 O ATOM 531 CB GLU A 35 7.902 1.992 -5.463 1.00 0.00 C ATOM 532 CG GLU A 35 8.401 0.812 -6.279 1.00 0.00 C ATOM 533 CD GLU A 35 9.156 1.239 -7.522 1.00 0.00 C ATOM 534 OE1 GLU A 35 10.072 2.079 -7.402 1.00 0.00 O ATOM 535 OE2 GLU A 35 8.831 0.733 -8.618 1.00 0.00 O ATOM 0 H GLU A 35 6.166 0.447 -4.194 1.00 0.00 H new ATOM 0 HA GLU A 35 8.830 1.580 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.916 2.282 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.564 2.842 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.050 0.195 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.553 0.191 -6.569 1.00 0.00 H new ATOM 542 N LYS A 36 7.910 3.532 -2.377 1.00 0.00 N ATOM 543 CA LYS A 36 7.378 4.654 -1.623 1.00 0.00 C ATOM 544 C LYS A 36 7.590 5.965 -2.367 1.00 0.00 C ATOM 545 O LYS A 36 8.628 6.179 -2.994 1.00 0.00 O ATOM 546 CB LYS A 36 8.014 4.724 -0.236 1.00 0.00 C ATOM 547 CG LYS A 36 8.148 3.370 0.445 1.00 0.00 C ATOM 548 CD LYS A 36 9.563 3.134 0.950 1.00 0.00 C ATOM 549 CE LYS A 36 9.788 3.784 2.307 1.00 0.00 C ATOM 550 NZ LYS A 36 10.781 3.035 3.126 1.00 0.00 N ATOM 0 H LYS A 36 8.886 3.311 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 36 6.306 4.497 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.002 5.177 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.416 5.381 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.449 3.311 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.875 2.581 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.750 2.063 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.278 3.534 0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.133 4.808 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.841 3.838 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.905 3.511 4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.440 2.065 3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.692 3.005 2.625 1.00 0.00 H new ATOM 564 N ILE A 37 6.594 6.834 -2.289 1.00 0.00 N ATOM 565 CA ILE A 37 6.646 8.133 -2.949 1.00 0.00 C ATOM 566 C ILE A 37 6.804 9.250 -1.923 1.00 0.00 C ATOM 567 O ILE A 37 6.769 9.004 -0.718 1.00 0.00 O ATOM 568 CB ILE A 37 5.361 8.395 -3.760 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.145 7.882 -2.982 1.00 0.00 C ATOM 570 CG2 ILE A 37 5.443 7.752 -5.141 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.681 6.497 -3.392 1.00 0.00 C ATOM 0 H ILE A 37 5.732 6.662 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 37 7.504 8.120 -3.621 1.00 0.00 H new ATOM 0 HB ILE A 37 5.253 9.469 -3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.386 7.872 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.321 8.583 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.524 7.953 -5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.290 8.168 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.574 6.675 -5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.817 6.211 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.405 6.503 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.487 5.781 -3.232 1.00 0.00 H new ATOM 583 N LYS A 38 6.961 10.477 -2.406 1.00 0.00 N ATOM 584 CA LYS A 38 7.104 11.626 -1.521 1.00 0.00 C ATOM 585 C LYS A 38 6.781 12.922 -2.256 1.00 0.00 C ATOM 586 O LYS A 38 7.676 13.695 -2.597 1.00 0.00 O ATOM 587 CB LYS A 38 8.521 11.682 -0.949 1.00 0.00 C ATOM 588 CG LYS A 38 9.609 11.625 -2.010 1.00 0.00 C ATOM 589 CD LYS A 38 10.716 10.653 -1.629 1.00 0.00 C ATOM 590 CE LYS A 38 11.969 11.381 -1.167 1.00 0.00 C ATOM 591 NZ LYS A 38 12.155 11.285 0.307 1.00 0.00 N ATOM 0 H LYS A 38 6.992 10.701 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 38 6.396 11.513 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.635 12.600 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.657 10.852 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.173 11.325 -2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.031 12.620 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.364 9.994 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.956 10.022 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.840 10.961 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.908 12.430 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.020 11.794 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.336 11.709 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.239 10.286 0.582 1.00 0.00 H new ATOM 605 N GLU A 39 5.486 13.146 -2.482 1.00 0.00 N ATOM 606 CA GLU A 39 4.989 14.349 -3.172 1.00 0.00 C ATOM 607 C GLU A 39 3.611 14.082 -3.778 1.00 0.00 C ATOM 608 O GLU A 39 3.437 13.117 -4.520 1.00 0.00 O ATOM 609 CB GLU A 39 5.954 14.797 -4.278 1.00 0.00 C ATOM 610 CG GLU A 39 6.760 16.035 -3.916 1.00 0.00 C ATOM 611 CD GLU A 39 7.703 16.460 -5.025 1.00 0.00 C ATOM 612 OE1 GLU A 39 8.578 15.653 -5.404 1.00 0.00 O ATOM 613 OE2 GLU A 39 7.567 17.601 -5.515 1.00 0.00 O ATOM 0 H GLU A 39 4.749 12.503 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 39 4.915 15.146 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.640 13.980 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.385 14.996 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.078 16.855 -3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.334 15.839 -3.011 1.00 0.00 H new ATOM 620 N MET A 40 2.637 14.943 -3.469 1.00 0.00 N ATOM 621 CA MET A 40 1.283 14.781 -3.993 1.00 0.00 C ATOM 622 C MET A 40 1.292 14.673 -5.510 1.00 0.00 C ATOM 623 O MET A 40 0.407 14.050 -6.094 1.00 0.00 O ATOM 624 CB MET A 40 0.396 15.947 -3.550 1.00 0.00 C ATOM 625 CG MET A 40 -0.882 15.507 -2.855 1.00 0.00 C ATOM 626 SD MET A 40 -1.528 16.761 -1.731 1.00 0.00 S ATOM 627 CE MET A 40 -3.271 16.716 -2.136 1.00 0.00 C ATOM 0 H MET A 40 2.762 15.753 -2.862 1.00 0.00 H new ATOM 0 HA MET A 40 0.875 13.854 -3.589 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.964 16.589 -2.877 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.138 16.548 -4.422 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.637 15.273 -3.605 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.691 14.589 -2.299 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.806 17.440 -1.521 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.406 16.964 -3.189 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.663 15.717 -1.945 1.00 0.00 H new ATOM 637 N ASP A 41 2.304 15.257 -6.149 1.00 0.00 N ATOM 638 CA ASP A 41 2.411 15.183 -7.600 1.00 0.00 C ATOM 639 C ASP A 41 2.303 13.729 -8.033 1.00 0.00 C ATOM 640 O ASP A 41 1.650 13.402 -9.024 1.00 0.00 O ATOM 641 CB ASP A 41 3.739 15.779 -8.074 1.00 0.00 C ATOM 642 CG ASP A 41 3.609 17.236 -8.474 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.986 18.006 -7.716 1.00 0.00 O ATOM 644 OD2 ASP A 41 4.131 17.605 -9.547 1.00 0.00 O ATOM 0 H ASP A 41 3.051 15.779 -5.690 1.00 0.00 H new ATOM 0 HA ASP A 41 1.603 15.760 -8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.479 15.688 -7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.110 15.204 -8.922 1.00 0.00 H new ATOM 649 N GLN A 42 2.933 12.860 -7.251 1.00 0.00 N ATOM 650 CA GLN A 42 2.899 11.430 -7.504 1.00 0.00 C ATOM 651 C GLN A 42 1.668 10.808 -6.850 1.00 0.00 C ATOM 652 O GLN A 42 1.099 9.845 -7.364 1.00 0.00 O ATOM 653 CB GLN A 42 4.169 10.764 -6.972 1.00 0.00 C ATOM 654 CG GLN A 42 5.448 11.341 -7.556 1.00 0.00 C ATOM 655 CD GLN A 42 6.106 10.410 -8.556 1.00 0.00 C ATOM 656 OE1 GLN A 42 7.159 9.833 -8.284 1.00 0.00 O ATOM 657 NE2 GLN A 42 5.487 10.261 -9.721 1.00 0.00 N ATOM 0 H GLN A 42 3.477 13.127 -6.431 1.00 0.00 H new ATOM 0 HA GLN A 42 2.845 11.270 -8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.196 10.867 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.129 9.697 -7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.225 12.291 -8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.148 11.553 -6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.616 10.759 -9.903 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.883 9.648 -10.434 1.00 0.00 H new ATOM 666 N ILE A 43 1.265 11.365 -5.706 1.00 0.00 N ATOM 667 CA ILE A 43 0.107 10.858 -4.978 1.00 0.00 C ATOM 668 C ILE A 43 -1.171 11.000 -5.792 1.00 0.00 C ATOM 669 O ILE A 43 -1.873 10.020 -6.043 1.00 0.00 O ATOM 670 CB ILE A 43 -0.074 11.553 -3.610 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.269 11.678 -2.882 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.059 10.775 -2.754 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.167 12.369 -1.538 1.00 0.00 C ATOM 0 H ILE A 43 1.723 12.164 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 43 0.301 9.800 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.467 12.555 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.689 10.683 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.965 12.230 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.179 11.274 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.023 10.727 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.683 9.764 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.155 12.422 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.776 13.377 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.496 11.806 -0.889 1.00 0.00 H new ATOM 685 N LEU A 44 -1.459 12.217 -6.214 1.00 0.00 N ATOM 686 CA LEU A 44 -2.653 12.485 -7.011 1.00 0.00 C ATOM 687 C LEU A 44 -2.612 11.706 -8.321 1.00 0.00 C ATOM 688 O LEU A 44 -3.640 11.232 -8.804 1.00 0.00 O ATOM 689 CB LEU A 44 -2.806 13.993 -7.265 1.00 0.00 C ATOM 690 CG LEU A 44 -2.278 14.517 -8.608 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.945 15.838 -8.960 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.767 14.681 -8.560 1.00 0.00 C ATOM 0 H LEU A 44 -0.886 13.039 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.525 12.149 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.864 14.246 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.294 14.528 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.520 13.789 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.560 16.197 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.023 15.693 -9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.731 16.572 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.411 15.053 -9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.503 15.390 -7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.303 13.717 -8.350 1.00 0.00 H new ATOM 704 N GLU A 45 -1.415 11.566 -8.884 1.00 0.00 N ATOM 705 CA GLU A 45 -1.242 10.828 -10.129 1.00 0.00 C ATOM 706 C GLU A 45 -1.727 9.394 -9.963 1.00 0.00 C ATOM 707 O GLU A 45 -2.075 8.724 -10.935 1.00 0.00 O ATOM 708 CB GLU A 45 0.225 10.837 -10.554 1.00 0.00 C ATOM 709 CG GLU A 45 0.428 10.694 -12.053 1.00 0.00 C ATOM 710 CD GLU A 45 1.583 9.776 -12.401 1.00 0.00 C ATOM 711 OE1 GLU A 45 1.472 8.558 -12.144 1.00 0.00 O ATOM 712 OE2 GLU A 45 2.599 10.274 -12.930 1.00 0.00 O ATOM 0 H GLU A 45 -0.554 11.953 -8.498 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.834 11.314 -10.904 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.685 11.768 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.746 10.025 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.486 10.308 -12.504 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.607 11.678 -12.487 1.00 0.00 H new ATOM 719 N ALA A 46 -1.761 8.936 -8.715 1.00 0.00 N ATOM 720 CA ALA A 46 -2.216 7.594 -8.404 1.00 0.00 C ATOM 721 C ALA A 46 -3.724 7.512 -8.553 1.00 0.00 C ATOM 722 O ALA A 46 -4.262 6.501 -9.004 1.00 0.00 O ATOM 723 CB ALA A 46 -1.797 7.209 -6.995 1.00 0.00 C ATOM 0 H ALA A 46 -1.476 9.482 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.757 6.893 -9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.145 6.200 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.710 7.243 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.235 7.907 -6.282 1.00 0.00 H new ATOM 729 N GLY A 47 -4.405 8.595 -8.183 1.00 0.00 N ATOM 730 CA GLY A 47 -5.846 8.628 -8.300 1.00 0.00 C ATOM 731 C GLY A 47 -6.557 8.871 -6.981 1.00 0.00 C ATOM 732 O GLY A 47 -7.744 9.194 -6.969 1.00 0.00 O ATOM 0 H GLY A 47 -3.983 9.444 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.127 9.411 -9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.190 7.683 -8.720 1.00 0.00 H new ATOM 736 N LEU A 48 -5.847 8.717 -5.866 1.00 0.00 N ATOM 737 CA LEU A 48 -6.458 8.927 -4.556 1.00 0.00 C ATOM 738 C LEU A 48 -6.659 10.409 -4.259 1.00 0.00 C ATOM 739 O LEU A 48 -5.999 11.270 -4.841 1.00 0.00 O ATOM 740 CB LEU A 48 -5.636 8.279 -3.429 1.00 0.00 C ATOM 741 CG LEU A 48 -4.127 8.564 -3.396 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.350 7.414 -4.014 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.781 9.881 -4.076 1.00 0.00 C ATOM 0 H LEU A 48 -4.862 8.451 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.434 8.443 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.059 8.600 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.773 7.199 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.836 8.656 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.283 7.636 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.548 6.499 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.661 7.280 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.704 10.043 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.098 9.847 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.293 10.698 -3.568 1.00 0.00 H new ATOM 755 N THR A 49 -7.573 10.691 -3.336 1.00 0.00 N ATOM 756 CA THR A 49 -7.867 12.061 -2.935 1.00 0.00 C ATOM 757 C THR A 49 -7.279 12.351 -1.563 1.00 0.00 C ATOM 758 O THR A 49 -6.931 13.489 -1.245 1.00 0.00 O ATOM 759 CB THR A 49 -9.383 12.331 -2.906 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.637 13.661 -2.440 1.00 0.00 O ATOM 761 CG2 THR A 49 -10.093 11.330 -2.006 1.00 0.00 C ATOM 0 H THR A 49 -8.125 9.984 -2.850 1.00 0.00 H new ATOM 0 HA THR A 49 -7.413 12.719 -3.676 1.00 0.00 H new ATOM 0 HB THR A 49 -9.767 12.223 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.603 13.824 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.163 11.540 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.923 10.320 -2.380 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.702 11.412 -0.992 1.00 0.00 H new ATOM 769 N ALA A 50 -7.158 11.302 -0.764 1.00 0.00 N ATOM 770 CA ALA A 50 -6.596 11.409 0.573 1.00 0.00 C ATOM 771 C ALA A 50 -5.076 11.395 0.503 1.00 0.00 C ATOM 772 O ALA A 50 -4.503 11.348 -0.586 1.00 0.00 O ATOM 773 CB ALA A 50 -7.100 10.270 1.446 1.00 0.00 C ATOM 0 H ALA A 50 -7.445 10.358 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.915 12.352 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.673 10.360 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.187 10.315 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.802 9.317 1.009 1.00 0.00 H new ATOM 779 N LEU A 51 -4.417 11.437 1.657 1.00 0.00 N ATOM 780 CA LEU A 51 -2.961 11.429 1.676 1.00 0.00 C ATOM 781 C LEU A 51 -2.411 10.008 1.737 1.00 0.00 C ATOM 782 O LEU A 51 -1.616 9.613 0.885 1.00 0.00 O ATOM 783 CB LEU A 51 -2.408 12.270 2.834 1.00 0.00 C ATOM 784 CG LEU A 51 -3.336 13.381 3.342 1.00 0.00 C ATOM 785 CD1 LEU A 51 -3.912 13.018 4.703 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.592 14.706 3.415 1.00 0.00 C ATOM 0 H LEU A 51 -4.860 11.476 2.575 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.628 11.881 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.177 11.605 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.468 12.722 2.516 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.161 13.487 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.567 13.819 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.482 12.092 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.100 12.883 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.266 15.482 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.747 14.612 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.229 14.975 2.423 1.00 0.00 H new ATOM 798 N PRO A 52 -2.819 9.213 2.739 1.00 0.00 N ATOM 799 CA PRO A 52 -2.353 7.831 2.888 1.00 0.00 C ATOM 800 C PRO A 52 -2.901 6.909 1.799 1.00 0.00 C ATOM 801 O PRO A 52 -3.543 5.901 2.092 1.00 0.00 O ATOM 802 CB PRO A 52 -2.889 7.408 4.268 1.00 0.00 C ATOM 803 CG PRO A 52 -3.345 8.671 4.921 1.00 0.00 C ATOM 804 CD PRO A 52 -3.759 9.580 3.803 1.00 0.00 C ATOM 0 HA PRO A 52 -1.269 7.762 2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.710 6.698 4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.114 6.919 4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.176 8.482 5.600 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.545 9.117 5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.795 9.414 3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.671 10.631 4.079 1.00 0.00 H new ATOM 812 N GLY A 53 -2.643 7.257 0.539 1.00 0.00 N ATOM 813 CA GLY A 53 -3.118 6.445 -0.561 1.00 0.00 C ATOM 814 C GLY A 53 -2.224 5.254 -0.829 1.00 0.00 C ATOM 815 O GLY A 53 -1.001 5.350 -0.735 1.00 0.00 O ATOM 0 H GLY A 53 -2.115 8.085 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.127 6.096 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.181 7.058 -1.460 1.00 0.00 H new ATOM 819 N LEU A 54 -2.840 4.132 -1.172 1.00 0.00 N ATOM 820 CA LEU A 54 -2.103 2.911 -1.467 1.00 0.00 C ATOM 821 C LEU A 54 -2.613 2.302 -2.764 1.00 0.00 C ATOM 822 O LEU A 54 -3.704 1.733 -2.803 1.00 0.00 O ATOM 823 CB LEU A 54 -2.249 1.908 -0.321 1.00 0.00 C ATOM 824 CG LEU A 54 -1.254 0.744 -0.349 1.00 0.00 C ATOM 825 CD1 LEU A 54 -0.488 0.661 0.963 1.00 0.00 C ATOM 826 CD2 LEU A 54 -1.973 -0.568 -0.630 1.00 0.00 C ATOM 0 H LEU A 54 -3.853 4.042 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.047 3.156 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.137 2.440 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.260 1.502 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.540 0.925 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.214 -0.172 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.060 1.589 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.188 0.506 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.250 -1.383 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.711 -0.753 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.474 -0.509 -1.596 1.00 0.00 H new ATOM 838 N ALA A 55 -1.835 2.437 -3.832 1.00 0.00 N ATOM 839 CA ALA A 55 -2.242 1.905 -5.123 1.00 0.00 C ATOM 840 C ALA A 55 -1.605 0.552 -5.394 1.00 0.00 C ATOM 841 O ALA A 55 -0.380 0.417 -5.399 1.00 0.00 O ATOM 842 CB ALA A 55 -1.896 2.881 -6.233 1.00 0.00 C ATOM 0 H ALA A 55 -0.929 2.905 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.323 1.767 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.208 2.467 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.412 3.826 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.820 3.052 -6.244 1.00 0.00 H new ATOM 848 N VAL A 56 -2.446 -0.448 -5.621 1.00 0.00 N ATOM 849 CA VAL A 56 -1.977 -1.795 -5.898 1.00 0.00 C ATOM 850 C VAL A 56 -2.438 -2.266 -7.264 1.00 0.00 C ATOM 851 O VAL A 56 -3.571 -2.014 -7.673 1.00 0.00 O ATOM 852 CB VAL A 56 -2.452 -2.798 -4.835 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.419 -2.902 -3.732 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.812 -2.400 -4.275 1.00 0.00 C ATOM 0 H VAL A 56 -3.461 -0.349 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.888 -1.753 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.566 -3.776 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.760 -3.614 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.472 -3.242 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.281 -1.925 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.124 -3.127 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.742 -1.413 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.544 -2.374 -5.082 1.00 0.00 H new ATOM 864 N ASP A 57 -1.545 -2.944 -7.970 1.00 0.00 N ATOM 865 CA ASP A 57 -1.846 -3.449 -9.308 1.00 0.00 C ATOM 866 C ASP A 57 -2.494 -2.359 -10.163 1.00 0.00 C ATOM 867 O ASP A 57 -3.264 -2.650 -11.077 1.00 0.00 O ATOM 868 CB ASP A 57 -2.770 -4.669 -9.229 1.00 0.00 C ATOM 869 CG ASP A 57 -2.280 -5.821 -10.084 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.076 -6.146 -10.010 1.00 0.00 O ATOM 871 OD2 ASP A 57 -3.100 -6.398 -10.830 1.00 0.00 O ATOM 0 H ASP A 57 -0.604 -3.159 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.908 -3.749 -9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.847 -4.997 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.772 -4.384 -9.548 1.00 0.00 H new ATOM 876 N GLY A 58 -2.180 -1.104 -9.850 1.00 0.00 N ATOM 877 CA GLY A 58 -2.744 0.011 -10.588 1.00 0.00 C ATOM 878 C GLY A 58 -4.193 0.264 -10.227 1.00 0.00 C ATOM 879 O GLY A 58 -4.988 0.677 -11.072 1.00 0.00 O ATOM 0 H GLY A 58 -1.544 -0.840 -9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.160 0.909 -10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.667 -0.188 -11.657 1.00 0.00 H new ATOM 883 N GLU A 59 -4.538 0.011 -8.970 1.00 0.00 N ATOM 884 CA GLU A 59 -5.902 0.209 -8.501 1.00 0.00 C ATOM 885 C GLU A 59 -5.924 0.649 -7.041 1.00 0.00 C ATOM 886 O GLU A 59 -5.767 -0.166 -6.132 1.00 0.00 O ATOM 887 CB GLU A 59 -6.710 -1.080 -8.668 1.00 0.00 C ATOM 888 CG GLU A 59 -7.351 -1.223 -10.039 1.00 0.00 C ATOM 889 CD GLU A 59 -6.979 -2.521 -10.727 1.00 0.00 C ATOM 890 OE1 GLU A 59 -5.778 -2.721 -11.007 1.00 0.00 O ATOM 891 OE2 GLU A 59 -7.887 -3.338 -10.986 1.00 0.00 O ATOM 0 H GLU A 59 -3.892 -0.331 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.353 0.998 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.056 -1.934 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.489 -1.112 -7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.435 -1.169 -9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.048 -0.385 -10.666 1.00 0.00 H new ATOM 898 N LEU A 60 -6.128 1.945 -6.824 1.00 0.00 N ATOM 899 CA LEU A 60 -6.181 2.500 -5.473 1.00 0.00 C ATOM 900 C LEU A 60 -7.181 1.729 -4.614 1.00 0.00 C ATOM 901 O LEU A 60 -8.333 1.544 -5.006 1.00 0.00 O ATOM 902 CB LEU A 60 -6.563 3.982 -5.526 1.00 0.00 C ATOM 903 CG LEU A 60 -5.480 4.944 -5.043 1.00 0.00 C ATOM 904 CD1 LEU A 60 -5.042 4.588 -3.630 1.00 0.00 C ATOM 905 CD2 LEU A 60 -4.291 4.924 -5.994 1.00 0.00 C ATOM 0 H LEU A 60 -6.260 2.632 -7.566 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.193 2.405 -5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.824 4.238 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.458 4.133 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.893 5.952 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.270 5.284 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.897 4.652 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.645 3.573 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.527 5.615 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.877 3.917 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.616 5.226 -6.989 1.00 0.00 H new ATOM 917 N LYS A 61 -6.732 1.270 -3.450 1.00 0.00 N ATOM 918 CA LYS A 61 -7.594 0.506 -2.555 1.00 0.00 C ATOM 919 C LYS A 61 -7.646 1.104 -1.150 1.00 0.00 C ATOM 920 O LYS A 61 -8.504 0.732 -0.350 1.00 0.00 O ATOM 921 CB LYS A 61 -7.118 -0.946 -2.480 1.00 0.00 C ATOM 922 CG LYS A 61 -7.549 -1.789 -3.670 1.00 0.00 C ATOM 923 CD LYS A 61 -8.578 -2.834 -3.273 1.00 0.00 C ATOM 924 CE LYS A 61 -9.639 -3.008 -4.347 1.00 0.00 C ATOM 925 NZ LYS A 61 -10.935 -3.474 -3.779 1.00 0.00 N ATOM 0 H LYS A 61 -5.782 1.413 -3.106 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.602 0.545 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.030 -0.960 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.502 -1.399 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.966 -1.143 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.678 -2.281 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.080 -3.787 -3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.052 -2.542 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.790 -2.061 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.289 -3.725 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.631 -3.580 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.798 -4.390 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.282 -2.777 -3.089 1.00 0.00 H new ATOM 939 N ILE A 62 -6.734 2.025 -0.838 1.00 0.00 N ATOM 940 CA ILE A 62 -6.716 2.637 0.489 1.00 0.00 C ATOM 941 C ILE A 62 -6.423 4.130 0.412 1.00 0.00 C ATOM 942 O ILE A 62 -5.476 4.547 -0.250 1.00 0.00 O ATOM 943 CB ILE A 62 -5.675 1.973 1.412 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.686 0.450 1.240 1.00 0.00 C ATOM 945 CG2 ILE A 62 -5.949 2.346 2.860 1.00 0.00 C ATOM 946 CD1 ILE A 62 -4.435 -0.224 1.760 1.00 0.00 C ATOM 0 H ILE A 62 -6.010 2.359 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.711 2.485 0.908 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.686 2.337 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.553 0.040 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.805 0.212 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.208 1.872 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.890 3.428 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.945 2.005 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.511 -1.300 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.566 0.159 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.326 -0.016 2.824 1.00 0.00 H new ATOM 958 N MET A 63 -7.246 4.929 1.088 1.00 0.00 N ATOM 959 CA MET A 63 -7.070 6.378 1.088 1.00 0.00 C ATOM 960 C MET A 63 -7.487 7.004 2.417 1.00 0.00 C ATOM 961 O MET A 63 -8.550 6.689 2.952 1.00 0.00 O ATOM 962 CB MET A 63 -7.884 6.999 -0.043 1.00 0.00 C ATOM 963 CG MET A 63 -7.266 6.794 -1.411 1.00 0.00 C ATOM 964 SD MET A 63 -7.875 5.311 -2.235 1.00 0.00 S ATOM 965 CE MET A 63 -9.520 5.838 -2.710 1.00 0.00 C ATOM 0 H MET A 63 -8.038 4.599 1.640 1.00 0.00 H new ATOM 0 HA MET A 63 -6.009 6.579 0.940 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.886 6.571 -0.037 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.993 8.068 0.142 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.477 7.663 -2.034 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.183 6.729 -1.310 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.910 5.167 -3.475 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.175 5.815 -1.839 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.477 6.853 -3.105 1.00 0.00 H new ATOM 975 N GLY A 64 -6.657 7.909 2.932 1.00 0.00 N ATOM 976 CA GLY A 64 -6.984 8.578 4.183 1.00 0.00 C ATOM 977 C GLY A 64 -6.535 7.816 5.413 1.00 0.00 C ATOM 978 O GLY A 64 -6.565 8.350 6.522 1.00 0.00 O ATOM 0 H GLY A 64 -5.772 8.190 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.522 9.565 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.062 8.730 4.233 1.00 0.00 H new ATOM 982 N ARG A 65 -6.115 6.574 5.219 1.00 0.00 N ATOM 983 CA ARG A 65 -5.657 5.738 6.324 1.00 0.00 C ATOM 984 C ARG A 65 -5.309 4.343 5.826 1.00 0.00 C ATOM 985 O ARG A 65 -6.195 3.541 5.533 1.00 0.00 O ATOM 986 CB ARG A 65 -6.730 5.645 7.414 1.00 0.00 C ATOM 987 CG ARG A 65 -6.324 4.780 8.597 1.00 0.00 C ATOM 988 CD ARG A 65 -7.380 3.733 8.915 1.00 0.00 C ATOM 989 NE ARG A 65 -7.714 2.923 7.747 1.00 0.00 N ATOM 990 CZ ARG A 65 -8.758 2.097 7.691 1.00 0.00 C ATOM 991 NH1 ARG A 65 -9.570 1.971 8.733 1.00 0.00 N ATOM 992 NH2 ARG A 65 -8.989 1.396 6.589 1.00 0.00 N ATOM 0 H ARG A 65 -6.081 6.121 4.306 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.764 6.198 6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.961 6.649 7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.645 5.243 6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.376 4.287 8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.162 5.411 9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.020 3.086 9.715 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.280 4.225 9.284 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.113 2.994 6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.397 2.508 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.368 1.337 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.368 1.490 5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.788 0.763 6.545 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.017 4.057 5.726 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.572 2.755 5.258 1.00 0.00 C ATOM 1008 C VAL A 66 -4.103 1.642 6.161 1.00 0.00 C ATOM 1009 O VAL A 66 -4.191 1.808 7.378 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.029 2.677 5.171 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.405 2.358 6.525 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.610 1.649 4.132 1.00 0.00 C ATOM 0 H VAL A 66 -3.265 4.705 5.961 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.975 2.618 4.254 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.663 3.657 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.321 2.311 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.670 3.137 7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.778 1.397 6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.522 1.605 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.000 0.670 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.007 1.934 3.158 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.460 0.512 5.561 1.00 0.00 N ATOM 1023 CA ALA A 67 -4.985 -0.620 6.315 1.00 0.00 C ATOM 1024 C ALA A 67 -3.915 -1.232 7.216 1.00 0.00 C ATOM 1025 O ALA A 67 -2.738 -0.885 7.122 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.546 -1.670 5.366 1.00 0.00 C ATOM 0 H ALA A 67 -4.395 0.356 4.555 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.789 -0.255 6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.935 -2.510 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.350 -1.233 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.755 -2.020 4.702 1.00 0.00 H new ATOM 1032 N SER A 68 -4.334 -2.146 8.085 1.00 0.00 N ATOM 1033 CA SER A 68 -3.413 -2.809 9.002 1.00 0.00 C ATOM 1034 C SER A 68 -3.088 -4.218 8.518 1.00 0.00 C ATOM 1035 O SER A 68 -3.688 -4.708 7.562 1.00 0.00 O ATOM 1036 CB SER A 68 -4.012 -2.866 10.409 1.00 0.00 C ATOM 1037 OG SER A 68 -3.577 -1.769 11.194 1.00 0.00 O ATOM 0 H SER A 68 -5.305 -2.445 8.174 1.00 0.00 H new ATOM 0 HA SER A 68 -2.489 -2.231 9.032 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.100 -2.862 10.345 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.724 -3.800 10.892 1.00 0.00 H new ATOM 0 HG SER A 68 -3.975 -1.828 12.088 1.00 0.00 H new ATOM 1043 N LYS A 69 -2.134 -4.866 9.178 1.00 0.00 N ATOM 1044 CA LYS A 69 -1.731 -6.220 8.806 1.00 0.00 C ATOM 1045 C LYS A 69 -2.925 -7.176 8.812 1.00 0.00 C ATOM 1046 O LYS A 69 -3.026 -8.058 7.960 1.00 0.00 O ATOM 1047 CB LYS A 69 -0.644 -6.734 9.753 1.00 0.00 C ATOM 1048 CG LYS A 69 -0.936 -6.473 11.222 1.00 0.00 C ATOM 1049 CD LYS A 69 -0.692 -7.714 12.068 1.00 0.00 C ATOM 1050 CE LYS A 69 -1.119 -7.500 13.511 1.00 0.00 C ATOM 1051 NZ LYS A 69 -0.530 -8.520 14.421 1.00 0.00 N ATOM 0 H LYS A 69 -1.625 -4.477 9.972 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.331 -6.181 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.521 -7.806 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.304 -6.264 9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.307 -5.658 11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.971 -6.151 11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.241 -8.556 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.366 -7.975 12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.815 -6.505 13.836 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.206 -7.539 13.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.845 -8.339 15.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.840 -9.468 14.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.508 -8.466 14.377 1.00 0.00 H new ATOM 1065 N GLU A 70 -3.823 -6.999 9.776 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.003 -7.850 9.887 1.00 0.00 C ATOM 1067 C GLU A 70 -6.019 -7.525 8.797 1.00 0.00 C ATOM 1068 O GLU A 70 -6.654 -8.420 8.239 1.00 0.00 O ATOM 1069 CB GLU A 70 -5.647 -7.683 11.266 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.537 -8.847 11.667 1.00 0.00 C ATOM 1071 CD GLU A 70 -6.744 -8.932 13.166 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -5.846 -8.492 13.916 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -7.804 -9.437 13.592 1.00 0.00 O ATOM 0 H GLU A 70 -3.756 -6.275 10.491 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.685 -8.885 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.862 -7.563 12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.237 -6.766 11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.505 -8.746 11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.094 -9.777 11.312 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.173 -6.238 8.503 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.117 -5.793 7.484 1.00 0.00 C ATOM 1082 C GLU A 71 -6.655 -6.201 6.088 1.00 0.00 C ATOM 1083 O GLU A 71 -7.423 -6.764 5.309 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.290 -4.274 7.552 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.546 -3.773 6.858 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.007 -2.429 7.389 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -8.164 -1.682 7.928 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.212 -2.124 7.264 1.00 0.00 O ATOM 0 H GLU A 71 -5.656 -5.485 8.956 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.075 -6.274 7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.315 -3.966 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.420 -3.797 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.358 -3.692 5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.344 -4.504 6.987 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.397 -5.907 5.776 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.833 -6.238 4.473 1.00 0.00 C ATOM 1097 C ILE A 72 -4.939 -7.734 4.188 1.00 0.00 C ATOM 1098 O ILE A 72 -5.355 -8.140 3.104 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.357 -5.792 4.372 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -2.838 -5.952 2.936 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.489 -6.564 5.357 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -2.526 -7.382 2.539 1.00 0.00 C ATOM 0 H ILE A 72 -4.748 -5.439 6.409 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.414 -5.697 3.726 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.302 -4.735 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.581 -5.550 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.937 -5.350 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.454 -6.233 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.841 -6.383 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.549 -7.630 5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.166 -7.404 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.759 -7.784 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.429 -7.987 2.620 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.566 -8.551 5.168 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.625 -9.999 5.012 1.00 0.00 C ATOM 1116 C LYS A 73 -6.055 -10.459 4.745 1.00 0.00 C ATOM 1117 O LYS A 73 -6.286 -11.383 3.965 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.081 -10.693 6.262 1.00 0.00 C ATOM 1119 CG LYS A 73 -3.823 -12.179 6.069 1.00 0.00 C ATOM 1120 CD LYS A 73 -2.925 -12.736 7.162 1.00 0.00 C ATOM 1121 CE LYS A 73 -3.215 -14.205 7.427 1.00 0.00 C ATOM 1122 NZ LYS A 73 -4.566 -14.407 8.018 1.00 0.00 N ATOM 0 H LYS A 73 -4.221 -8.236 6.075 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.007 -10.271 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.152 -10.207 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.789 -10.559 7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.771 -12.717 6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.360 -12.346 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.881 -12.617 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.069 -12.164 8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.140 -14.764 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.460 -14.608 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.588 -15.310 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.777 -13.629 8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.278 -14.423 7.260 1.00 0.00 H new ATOM 1136 N LYS A 74 -7.011 -9.809 5.401 1.00 0.00 N ATOM 1137 CA LYS A 74 -8.419 -10.151 5.237 1.00 0.00 C ATOM 1138 C LYS A 74 -8.953 -9.664 3.893 1.00 0.00 C ATOM 1139 O LYS A 74 -9.868 -10.263 3.327 1.00 0.00 O ATOM 1140 CB LYS A 74 -9.248 -9.554 6.377 1.00 0.00 C ATOM 1141 CG LYS A 74 -10.288 -10.512 6.937 1.00 0.00 C ATOM 1142 CD LYS A 74 -11.659 -9.860 7.030 1.00 0.00 C ATOM 1143 CE LYS A 74 -12.765 -10.831 6.646 1.00 0.00 C ATOM 1144 NZ LYS A 74 -12.881 -11.954 7.616 1.00 0.00 N ATOM 0 H LYS A 74 -6.836 -9.043 6.051 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.504 -11.237 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.578 -9.247 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.749 -8.655 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.348 -11.396 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.977 -10.849 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.825 -9.502 8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.694 -8.989 6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.714 -10.297 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.568 -11.230 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.657 -12.583 7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.990 -12.490 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.078 -11.575 8.564 1.00 0.00 H new ATOM 1158 N ILE A 75 -8.379 -8.577 3.383 1.00 0.00 N ATOM 1159 CA ILE A 75 -8.803 -8.023 2.105 1.00 0.00 C ATOM 1160 C ILE A 75 -8.271 -8.865 0.950 1.00 0.00 C ATOM 1161 O ILE A 75 -8.879 -8.931 -0.117 1.00 0.00 O ATOM 1162 CB ILE A 75 -8.349 -6.545 1.947 1.00 0.00 C ATOM 1163 CG1 ILE A 75 -9.454 -5.724 1.279 1.00 0.00 C ATOM 1164 CG2 ILE A 75 -7.053 -6.440 1.151 1.00 0.00 C ATOM 1165 CD1 ILE A 75 -9.586 -4.322 1.834 1.00 0.00 C ATOM 0 H ILE A 75 -7.621 -8.065 3.836 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.893 -8.044 2.083 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.158 -6.144 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.255 -5.665 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.404 -6.244 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.766 -5.393 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.265 -6.989 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.201 -6.863 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.388 -3.799 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.816 -4.372 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.649 -3.784 1.690 1.00 0.00 H new ATOM 1177 N LEU A 76 -7.128 -9.504 1.175 1.00 0.00 N ATOM 1178 CA LEU A 76 -6.511 -10.339 0.158 1.00 0.00 C ATOM 1179 C LEU A 76 -7.071 -11.757 0.202 1.00 0.00 C ATOM 1180 O LEU A 76 -7.183 -12.425 -0.825 1.00 0.00 O ATOM 1181 CB LEU A 76 -4.991 -10.368 0.342 1.00 0.00 C ATOM 1182 CG LEU A 76 -4.180 -9.988 -0.898 1.00 0.00 C ATOM 1183 CD1 LEU A 76 -2.814 -9.451 -0.500 1.00 0.00 C ATOM 1184 CD2 LEU A 76 -4.035 -11.186 -1.825 1.00 0.00 C ATOM 0 H LEU A 76 -6.612 -9.458 2.054 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.742 -9.909 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.726 -9.689 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.698 -11.370 0.656 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.714 -9.202 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.252 -9.186 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.939 -8.567 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.271 -10.215 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.456 -10.899 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.523 -11.992 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.022 -11.526 -2.138 1.00 0.00 H new ATOM 1196 N SER A 77 -7.424 -12.210 1.401 1.00 0.00 N ATOM 1197 CA SER A 77 -7.975 -13.548 1.583 1.00 0.00 C ATOM 1198 C SER A 77 -9.373 -13.484 2.188 1.00 0.00 C ATOM 1199 O SER A 77 -10.040 -12.440 2.028 1.00 0.00 O ATOM 1200 CB SER A 77 -7.056 -14.384 2.477 1.00 0.00 C ATOM 1201 OG SER A 77 -6.926 -13.799 3.762 1.00 0.00 O ATOM 1202 OXT SER A 77 -9.790 -14.480 2.817 1.00 0.00 O ATOM 0 H SER A 77 -7.338 -11.669 2.262 1.00 0.00 H new ATOM 0 HA SER A 77 -8.045 -14.021 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.456 -15.394 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.074 -14.472 2.013 1.00 0.00 H new ATOM 0 HG SER A 77 -6.367 -12.996 3.701 1.00 0.00 H new TER 1208 SER A 77