USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 463 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 25 LYS NZ :NH3+ 151:sc= -0.0583 (180deg=-1.22) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.317 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -17:sc= -0.159 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.0594 (180deg=-0.309) USER MOD Single : A 36 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-5.5!) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc=-0.000561 (180deg=-0.611) USER MOD Single : A 40 ASN :FLIP amide:sc= -3.43! C(o=-4.9!,f=-3.4!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 79:sc= 0.41 USER MOD Single : A 60 SER OG : rot 149:sc= -1.71 USER MOD Single : A 61 ASN : amide:sc= 0.729 K(o=0.73,f=-0.44) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= -0.0871 (180deg=-0.465) USER MOD Single : A 67 GLN : amide:sc= -0.507 K(o=-0.51,f=-1) USER MOD Single : A 68 TYR OH : rot 30:sc= 0.00688 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.445 -6.520 5.844 1.00 0.00 N ATOM 67 CA ASP A 8 -2.626 -5.972 5.188 1.00 0.00 C ATOM 68 C ASP A 8 -2.266 -4.745 4.355 1.00 0.00 C ATOM 69 O ASP A 8 -1.363 -3.986 4.709 1.00 0.00 O ATOM 70 CB ASP A 8 -3.688 -5.604 6.226 1.00 0.00 C ATOM 71 CG ASP A 8 -4.311 -6.825 6.874 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.722 -7.349 7.843 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.388 -7.256 6.413 1.00 0.00 O ATOM 0 HA ASP A 8 -3.028 -6.736 4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.238 -4.977 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.468 -5.011 5.749 1.00 0.00 H new ATOM 78 N TYR A 9 -2.975 -4.559 3.248 1.00 0.00 N ATOM 79 CA TYR A 9 -2.728 -3.427 2.363 1.00 0.00 C ATOM 80 C TYR A 9 -2.611 -2.130 3.157 1.00 0.00 C ATOM 81 O TYR A 9 -1.590 -1.444 3.101 1.00 0.00 O ATOM 82 CB TYR A 9 -3.849 -3.306 1.329 1.00 0.00 C ATOM 83 CG TYR A 9 -3.882 -4.446 0.336 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.711 -4.935 -0.229 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.085 -5.033 -0.038 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.737 -5.976 -1.137 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.120 -6.074 -0.944 1.00 0.00 C ATOM 88 CZ TYR A 9 -3.943 -6.542 -1.491 1.00 0.00 C ATOM 89 OH TYR A 9 -3.974 -7.579 -2.396 1.00 0.00 O ATOM 0 H TYR A 9 -3.726 -5.178 2.942 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.784 -3.602 1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.807 -3.259 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.733 -2.367 0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.764 -4.494 0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.008 -4.668 0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.817 -6.344 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.063 -6.520 -1.223 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.901 -7.864 -2.535 1.00 0.00 H new ATOM 99 N TYR A 10 -3.663 -1.801 3.898 1.00 0.00 N ATOM 100 CA TYR A 10 -3.681 -0.585 4.703 1.00 0.00 C ATOM 101 C TYR A 10 -2.447 -0.505 5.595 1.00 0.00 C ATOM 102 O TYR A 10 -1.876 0.568 5.787 1.00 0.00 O ATOM 103 CB TYR A 10 -4.948 -0.535 5.559 1.00 0.00 C ATOM 104 CG TYR A 10 -6.208 -0.282 4.763 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.550 1.001 4.354 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.056 -1.327 4.418 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.700 1.237 3.627 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.208 -1.101 3.690 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.526 0.182 3.297 1.00 0.00 C ATOM 110 OH TYR A 10 -9.673 0.412 2.572 1.00 0.00 O ATOM 0 H TYR A 10 -4.515 -2.359 3.958 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.674 0.270 4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.051 -1.478 6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.839 0.248 6.309 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.905 1.829 4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.810 -2.333 4.724 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.951 2.241 3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.856 -1.925 3.430 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.141 -0.436 2.423 1.00 0.00 H new ATOM 120 N GLU A 11 -2.040 -1.649 6.137 1.00 0.00 N ATOM 121 CA GLU A 11 -0.873 -1.708 7.009 1.00 0.00 C ATOM 122 C GLU A 11 0.401 -1.385 6.236 1.00 0.00 C ATOM 123 O GLU A 11 1.124 -0.448 6.574 1.00 0.00 O ATOM 124 CB GLU A 11 -0.758 -3.093 7.649 1.00 0.00 C ATOM 125 CG GLU A 11 -1.793 -3.353 8.731 1.00 0.00 C ATOM 126 CD GLU A 11 -1.327 -2.905 10.103 1.00 0.00 C ATOM 127 OE1 GLU A 11 -0.575 -1.911 10.179 1.00 0.00 O ATOM 128 OE2 GLU A 11 -1.715 -3.549 11.101 1.00 0.00 O ATOM 0 H GLU A 11 -2.501 -2.547 5.988 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.999 -0.962 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.858 -3.852 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.238 -3.204 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.717 -2.833 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.024 -4.418 8.759 1.00 0.00 H new ATOM 135 N ILE A 12 0.670 -2.168 5.196 1.00 0.00 N ATOM 136 CA ILE A 12 1.856 -1.965 4.374 1.00 0.00 C ATOM 137 C ILE A 12 2.133 -0.480 4.165 1.00 0.00 C ATOM 138 O ILE A 12 3.274 -0.029 4.270 1.00 0.00 O ATOM 139 CB ILE A 12 1.713 -2.648 3.001 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.609 -4.165 3.170 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.890 -2.288 2.106 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.226 -4.890 1.898 1.00 0.00 C ATOM 0 H ILE A 12 0.082 -2.949 4.903 1.00 0.00 H new ATOM 0 HA ILE A 12 2.692 -2.416 4.909 1.00 0.00 H new ATOM 0 HB ILE A 12 0.799 -2.291 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.566 -4.549 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.871 -4.387 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.775 -2.778 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.922 -1.208 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.817 -2.620 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.171 -5.961 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.255 -4.533 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.976 -4.698 1.130 1.00 0.00 H new ATOM 154 N LEU A 13 1.081 0.276 3.870 1.00 0.00 N ATOM 155 CA LEU A 13 1.210 1.712 3.647 1.00 0.00 C ATOM 156 C LEU A 13 1.345 2.458 4.971 1.00 0.00 C ATOM 157 O LEU A 13 2.080 3.439 5.070 1.00 0.00 O ATOM 158 CB LEU A 13 0.000 2.238 2.873 1.00 0.00 C ATOM 159 CG LEU A 13 -0.273 1.576 1.522 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.636 1.989 0.991 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.820 1.930 0.525 1.00 0.00 C ATOM 0 H LEU A 13 0.130 -0.081 3.780 1.00 0.00 H new ATOM 0 HA LEU A 13 2.112 1.885 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.885 2.120 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.135 3.307 2.710 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.273 0.495 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.813 1.508 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.409 1.684 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.665 3.071 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.610 1.450 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.852 3.011 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.782 1.583 0.901 1.00 0.00 H new ATOM 173 N GLY A 14 0.631 1.983 5.987 1.00 0.00 N ATOM 174 CA GLY A 14 0.687 2.616 7.292 1.00 0.00 C ATOM 175 C GLY A 14 -0.507 3.513 7.553 1.00 0.00 C ATOM 176 O GLY A 14 -0.351 4.666 7.954 1.00 0.00 O ATOM 0 H GLY A 14 0.015 1.172 5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.736 1.847 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.602 3.203 7.369 1.00 0.00 H new ATOM 180 N VAL A 15 -1.705 2.983 7.324 1.00 0.00 N ATOM 181 CA VAL A 15 -2.931 3.743 7.536 1.00 0.00 C ATOM 182 C VAL A 15 -4.035 2.858 8.102 1.00 0.00 C ATOM 183 O VAL A 15 -3.837 1.663 8.319 1.00 0.00 O ATOM 184 CB VAL A 15 -3.424 4.389 6.228 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.366 5.323 5.661 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.800 3.318 5.215 1.00 0.00 C ATOM 0 H VAL A 15 -1.852 2.030 6.992 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.696 4.529 8.254 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.314 4.979 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.733 5.770 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.150 6.110 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.456 4.760 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.146 3.792 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.929 2.700 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.595 2.694 5.623 1.00 0.00 H new ATOM 196 N SER A 16 -5.201 3.453 8.337 1.00 0.00 N ATOM 197 CA SER A 16 -6.337 2.719 8.881 1.00 0.00 C ATOM 198 C SER A 16 -7.258 2.239 7.764 1.00 0.00 C ATOM 199 O SER A 16 -7.193 2.729 6.636 1.00 0.00 O ATOM 200 CB SER A 16 -7.119 3.598 9.859 1.00 0.00 C ATOM 201 OG SER A 16 -6.473 3.658 11.119 1.00 0.00 O ATOM 0 H SER A 16 -5.383 4.441 8.159 1.00 0.00 H new ATOM 0 HA SER A 16 -5.954 1.848 9.413 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.219 4.603 9.450 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.127 3.203 9.982 1.00 0.00 H new ATOM 0 HG SER A 16 -6.991 4.227 11.726 1.00 0.00 H new ATOM 207 N ARG A 17 -8.116 1.276 8.085 1.00 0.00 N ATOM 208 CA ARG A 17 -9.051 0.728 7.110 1.00 0.00 C ATOM 209 C ARG A 17 -10.178 1.715 6.822 1.00 0.00 C ATOM 210 O ARG A 17 -11.117 1.846 7.607 1.00 0.00 O ATOM 211 CB ARG A 17 -9.632 -0.594 7.615 1.00 0.00 C ATOM 212 CG ARG A 17 -8.753 -1.799 7.319 1.00 0.00 C ATOM 213 CD ARG A 17 -9.474 -3.102 7.625 1.00 0.00 C ATOM 214 NE ARG A 17 -9.444 -3.423 9.050 1.00 0.00 N ATOM 215 CZ ARG A 17 -10.319 -2.945 9.928 1.00 0.00 C ATOM 216 NH1 ARG A 17 -11.286 -2.131 9.530 1.00 0.00 N ATOM 217 NH2 ARG A 17 -10.227 -3.283 11.208 1.00 0.00 N ATOM 0 H ARG A 17 -8.183 0.859 9.013 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.506 0.547 6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.788 -0.525 8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.610 -0.748 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.454 -1.784 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.840 -1.739 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.509 -3.030 7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.013 -3.913 7.061 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.712 -4.047 9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.360 -1.870 8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.956 -1.766 10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.484 -3.910 11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.899 -2.916 11.882 1.00 0.00 H new ATOM 231 N GLY A 18 -10.078 2.407 5.691 1.00 0.00 N ATOM 232 CA GLY A 18 -11.096 3.373 5.321 1.00 0.00 C ATOM 233 C GLY A 18 -10.524 4.759 5.095 1.00 0.00 C ATOM 234 O GLY A 18 -11.259 5.746 5.081 1.00 0.00 O ATOM 0 H GLY A 18 -9.311 2.316 5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.598 3.038 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.852 3.418 6.105 1.00 0.00 H new ATOM 238 N ALA A 19 -9.209 4.833 4.920 1.00 0.00 N ATOM 239 CA ALA A 19 -8.540 6.108 4.694 1.00 0.00 C ATOM 240 C ALA A 19 -8.922 6.697 3.340 1.00 0.00 C ATOM 241 O ALA A 19 -9.115 5.968 2.368 1.00 0.00 O ATOM 242 CB ALA A 19 -7.031 5.936 4.789 1.00 0.00 C ATOM 0 H ALA A 19 -8.586 4.025 4.930 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.866 6.803 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.544 6.896 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.769 5.567 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.698 5.221 4.036 1.00 0.00 H new ATOM 248 N SER A 20 -9.032 8.021 3.286 1.00 0.00 N ATOM 249 CA SER A 20 -9.396 8.707 2.052 1.00 0.00 C ATOM 250 C SER A 20 -8.349 8.470 0.968 1.00 0.00 C ATOM 251 O SER A 20 -7.270 7.942 1.238 1.00 0.00 O ATOM 252 CB SER A 20 -9.554 10.208 2.305 1.00 0.00 C ATOM 253 OG SER A 20 -10.324 10.819 1.285 1.00 0.00 O ATOM 0 H SER A 20 -8.874 8.639 4.082 1.00 0.00 H new ATOM 0 HA SER A 20 -10.347 8.301 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.032 10.369 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.571 10.677 2.354 1.00 0.00 H new ATOM 0 HG SER A 20 -10.412 11.777 1.471 1.00 0.00 H new ATOM 259 N ASP A 21 -8.676 8.864 -0.258 1.00 0.00 N ATOM 260 CA ASP A 21 -7.763 8.696 -1.383 1.00 0.00 C ATOM 261 C ASP A 21 -6.463 9.457 -1.147 1.00 0.00 C ATOM 262 O ASP A 21 -5.375 8.890 -1.241 1.00 0.00 O ATOM 263 CB ASP A 21 -8.422 9.176 -2.677 1.00 0.00 C ATOM 264 CG ASP A 21 -9.532 8.252 -3.139 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.332 7.020 -3.102 1.00 0.00 O ATOM 266 OD2 ASP A 21 -10.600 8.761 -3.540 1.00 0.00 O ATOM 0 H ASP A 21 -9.566 9.302 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.530 7.635 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.826 10.177 -2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.667 9.252 -3.459 1.00 0.00 H new ATOM 271 N GLU A 22 -6.584 10.745 -0.841 1.00 0.00 N ATOM 272 CA GLU A 22 -5.417 11.584 -0.593 1.00 0.00 C ATOM 273 C GLU A 22 -4.532 10.978 0.492 1.00 0.00 C ATOM 274 O GLU A 22 -3.312 10.909 0.346 1.00 0.00 O ATOM 275 CB GLU A 22 -5.852 12.993 -0.185 1.00 0.00 C ATOM 276 CG GLU A 22 -6.182 13.124 1.293 1.00 0.00 C ATOM 277 CD GLU A 22 -6.765 14.479 1.642 1.00 0.00 C ATOM 278 OE1 GLU A 22 -7.942 14.724 1.305 1.00 0.00 O ATOM 279 OE2 GLU A 22 -6.044 15.295 2.253 1.00 0.00 O ATOM 0 H GLU A 22 -7.478 11.230 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.841 11.643 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.058 13.696 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.726 13.278 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.890 12.345 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.278 12.960 1.879 1.00 0.00 H new ATOM 286 N ASP A 23 -5.156 10.542 1.581 1.00 0.00 N ATOM 287 CA ASP A 23 -4.427 9.941 2.692 1.00 0.00 C ATOM 288 C ASP A 23 -3.611 8.741 2.221 1.00 0.00 C ATOM 289 O ASP A 23 -2.430 8.614 2.545 1.00 0.00 O ATOM 290 CB ASP A 23 -5.396 9.514 3.795 1.00 0.00 C ATOM 291 CG ASP A 23 -5.702 10.638 4.765 1.00 0.00 C ATOM 292 OD1 ASP A 23 -4.753 11.330 5.189 1.00 0.00 O ATOM 293 OD2 ASP A 23 -6.890 10.826 5.099 1.00 0.00 O ATOM 0 H ASP A 23 -6.165 10.594 1.718 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.742 10.689 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.325 9.165 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.971 8.672 4.342 1.00 0.00 H new ATOM 298 N LEU A 24 -4.249 7.863 1.454 1.00 0.00 N ATOM 299 CA LEU A 24 -3.583 6.672 0.939 1.00 0.00 C ATOM 300 C LEU A 24 -2.322 7.045 0.166 1.00 0.00 C ATOM 301 O LEU A 24 -1.275 6.415 0.323 1.00 0.00 O ATOM 302 CB LEU A 24 -4.533 5.883 0.037 1.00 0.00 C ATOM 303 CG LEU A 24 -5.683 5.162 0.741 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.809 4.869 -0.238 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.190 3.877 1.390 1.00 0.00 C ATOM 0 H LEU A 24 -5.226 7.954 1.175 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.296 6.050 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.956 6.567 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.950 5.144 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.070 5.815 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.618 4.356 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.181 5.805 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.436 4.236 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.022 3.378 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.775 3.219 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.419 4.112 2.123 1.00 0.00 H new ATOM 317 N LYS A 25 -2.428 8.074 -0.668 1.00 0.00 N ATOM 318 CA LYS A 25 -1.296 8.534 -1.464 1.00 0.00 C ATOM 319 C LYS A 25 -0.198 9.102 -0.570 1.00 0.00 C ATOM 320 O LYS A 25 0.908 8.565 -0.509 1.00 0.00 O ATOM 321 CB LYS A 25 -1.750 9.594 -2.469 1.00 0.00 C ATOM 322 CG LYS A 25 -0.622 10.146 -3.324 1.00 0.00 C ATOM 323 CD LYS A 25 -1.033 11.426 -4.031 1.00 0.00 C ATOM 324 CE LYS A 25 -1.659 11.138 -5.386 1.00 0.00 C ATOM 325 NZ LYS A 25 -3.045 10.608 -5.256 1.00 0.00 N ATOM 0 H LYS A 25 -3.287 8.606 -0.810 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.893 7.678 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.510 9.163 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.221 10.416 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.249 10.339 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.326 9.401 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.742 11.974 -3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.161 12.067 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.674 12.051 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.044 10.417 -5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.599 10.875 -6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.014 9.571 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.491 11.007 -4.405 1.00 0.00 H new ATOM 339 N LYS A 26 -0.511 10.192 0.123 1.00 0.00 N ATOM 340 CA LYS A 26 0.447 10.833 1.016 1.00 0.00 C ATOM 341 C LYS A 26 1.332 9.795 1.699 1.00 0.00 C ATOM 342 O LYS A 26 2.553 9.806 1.542 1.00 0.00 O ATOM 343 CB LYS A 26 -0.285 11.667 2.069 1.00 0.00 C ATOM 344 CG LYS A 26 -0.557 13.096 1.633 1.00 0.00 C ATOM 345 CD LYS A 26 -1.903 13.220 0.939 1.00 0.00 C ATOM 346 CE LYS A 26 -2.245 14.673 0.643 1.00 0.00 C ATOM 347 NZ LYS A 26 -1.397 15.232 -0.446 1.00 0.00 N ATOM 0 H LYS A 26 -1.421 10.650 0.083 1.00 0.00 H new ATOM 0 HA LYS A 26 1.081 11.489 0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.232 11.183 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.307 11.682 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.533 13.753 2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.233 13.429 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.888 12.652 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.679 12.783 1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.295 14.749 0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.114 15.268 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.661 16.223 -0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.396 15.184 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.541 14.680 -1.316 1.00 0.00 H new ATOM 361 N ALA A 27 0.709 8.898 2.456 1.00 0.00 N ATOM 362 CA ALA A 27 1.440 7.852 3.160 1.00 0.00 C ATOM 363 C ALA A 27 2.287 7.030 2.194 1.00 0.00 C ATOM 364 O ALA A 27 3.483 6.834 2.414 1.00 0.00 O ATOM 365 CB ALA A 27 0.475 6.951 3.917 1.00 0.00 C ATOM 0 H ALA A 27 -0.301 8.875 2.597 1.00 0.00 H new ATOM 0 HA ALA A 27 2.110 8.329 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.035 6.174 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.084 7.544 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.218 6.489 3.214 1.00 0.00 H new ATOM 371 N TYR A 28 1.660 6.550 1.126 1.00 0.00 N ATOM 372 CA TYR A 28 2.356 5.746 0.128 1.00 0.00 C ATOM 373 C TYR A 28 3.649 6.425 -0.313 1.00 0.00 C ATOM 374 O TYR A 28 4.720 5.819 -0.293 1.00 0.00 O ATOM 375 CB TYR A 28 1.454 5.505 -1.083 1.00 0.00 C ATOM 376 CG TYR A 28 2.146 4.790 -2.221 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.917 3.658 -1.990 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.028 5.246 -3.528 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.552 3.001 -3.026 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.658 4.596 -4.571 1.00 0.00 C ATOM 381 CZ TYR A 28 3.419 3.474 -4.315 1.00 0.00 C ATOM 382 OH TYR A 28 4.049 2.822 -5.351 1.00 0.00 O ATOM 0 H TYR A 28 0.671 6.704 0.929 1.00 0.00 H new ATOM 0 HA TYR A 28 2.607 4.787 0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.589 4.920 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.078 6.463 -1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.022 3.285 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.433 6.124 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.149 2.123 -2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.556 4.964 -5.581 1.00 0.00 H new ATOM 0 HH TYR A 28 4.747 2.235 -4.992 1.00 0.00 H new ATOM 392 N ARG A 29 3.540 7.688 -0.712 1.00 0.00 N ATOM 393 CA ARG A 29 4.699 8.451 -1.160 1.00 0.00 C ATOM 394 C ARG A 29 5.780 8.478 -0.084 1.00 0.00 C ATOM 395 O ARG A 29 6.884 7.970 -0.286 1.00 0.00 O ATOM 396 CB ARG A 29 4.287 9.880 -1.520 1.00 0.00 C ATOM 397 CG ARG A 29 3.617 9.996 -2.879 1.00 0.00 C ATOM 398 CD ARG A 29 3.839 11.369 -3.494 1.00 0.00 C ATOM 399 NE ARG A 29 5.171 11.499 -4.078 1.00 0.00 N ATOM 400 CZ ARG A 29 5.511 12.462 -4.926 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.621 13.376 -5.288 1.00 0.00 N ATOM 402 NH2 ARG A 29 6.744 12.514 -5.415 1.00 0.00 N ATOM 0 H ARG A 29 2.661 8.205 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 29 5.104 7.963 -2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.607 10.257 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.170 10.519 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.010 9.229 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.548 9.811 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.087 11.547 -4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.702 12.135 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 29 5.879 10.812 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.672 13.340 -4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.885 14.115 -5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.432 11.813 -5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.003 13.255 -6.067 1.00 0.00 H new ATOM 416 N ARG A 30 5.457 9.074 1.059 1.00 0.00 N ATOM 417 CA ARG A 30 6.401 9.169 2.166 1.00 0.00 C ATOM 418 C ARG A 30 7.242 7.900 2.273 1.00 0.00 C ATOM 419 O ARG A 30 8.395 7.941 2.705 1.00 0.00 O ATOM 420 CB ARG A 30 5.656 9.412 3.480 1.00 0.00 C ATOM 421 CG ARG A 30 6.512 9.187 4.715 1.00 0.00 C ATOM 422 CD ARG A 30 5.807 9.662 5.976 1.00 0.00 C ATOM 423 NE ARG A 30 6.753 10.048 7.020 1.00 0.00 N ATOM 424 CZ ARG A 30 6.386 10.526 8.204 1.00 0.00 C ATOM 425 NH1 ARG A 30 5.101 10.677 8.492 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.306 10.854 9.102 1.00 0.00 N ATOM 0 H ARG A 30 4.548 9.499 1.243 1.00 0.00 H new ATOM 0 HA ARG A 30 7.066 10.010 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.279 10.435 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.789 8.753 3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.749 8.127 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.458 9.717 4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.167 10.511 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.159 8.869 6.349 1.00 0.00 H new ATOM 0 HE ARG A 30 7.750 9.945 6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.391 10.426 7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.822 11.044 9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.296 10.739 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.024 11.221 10.011 1.00 0.00 H new ATOM 440 N LEU A 31 6.659 6.774 1.876 1.00 0.00 N ATOM 441 CA LEU A 31 7.354 5.493 1.927 1.00 0.00 C ATOM 442 C LEU A 31 8.210 5.288 0.682 1.00 0.00 C ATOM 443 O LEU A 31 9.427 5.127 0.772 1.00 0.00 O ATOM 444 CB LEU A 31 6.347 4.349 2.062 1.00 0.00 C ATOM 445 CG LEU A 31 5.410 4.419 3.268 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.340 3.342 3.176 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.196 4.284 4.564 1.00 0.00 C ATOM 0 H LEU A 31 5.706 6.722 1.515 1.00 0.00 H new ATOM 0 HA LEU A 31 8.009 5.497 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.740 4.317 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.898 3.410 2.109 1.00 0.00 H new ATOM 0 HG LEU A 31 4.918 5.392 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.683 3.407 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.757 3.485 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.813 2.360 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.512 4.336 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.716 3.326 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.923 5.093 4.634 1.00 0.00 H new ATOM 459 N ALA A 32 7.566 5.296 -0.481 1.00 0.00 N ATOM 460 CA ALA A 32 8.268 5.115 -1.745 1.00 0.00 C ATOM 461 C ALA A 32 9.649 5.762 -1.703 1.00 0.00 C ATOM 462 O ALA A 32 10.648 5.142 -2.068 1.00 0.00 O ATOM 463 CB ALA A 32 7.449 5.689 -2.891 1.00 0.00 C ATOM 0 H ALA A 32 6.559 5.426 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 32 8.401 4.046 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.986 5.547 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.487 5.179 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.286 6.754 -2.724 1.00 0.00 H new ATOM 469 N LEU A 33 9.697 7.013 -1.257 1.00 0.00 N ATOM 470 CA LEU A 33 10.956 7.745 -1.168 1.00 0.00 C ATOM 471 C LEU A 33 11.934 7.036 -0.236 1.00 0.00 C ATOM 472 O LEU A 33 13.120 6.913 -0.541 1.00 0.00 O ATOM 473 CB LEU A 33 10.706 9.171 -0.674 1.00 0.00 C ATOM 474 CG LEU A 33 10.028 10.116 -1.667 1.00 0.00 C ATOM 475 CD1 LEU A 33 8.517 10.072 -1.500 1.00 0.00 C ATOM 476 CD2 LEU A 33 10.545 11.536 -1.490 1.00 0.00 C ATOM 0 H LEU A 33 8.879 7.541 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 33 11.396 7.784 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.092 9.120 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.662 9.606 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 33 10.271 9.786 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.052 10.751 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.161 9.057 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.254 10.376 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.052 12.195 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.333 11.877 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.621 11.555 -1.662 1.00 0.00 H new ATOM 488 N LYS A 34 11.427 6.569 0.900 1.00 0.00 N ATOM 489 CA LYS A 34 12.254 5.869 1.876 1.00 0.00 C ATOM 490 C LYS A 34 12.593 4.463 1.392 1.00 0.00 C ATOM 491 O LYS A 34 13.507 3.820 1.911 1.00 0.00 O ATOM 492 CB LYS A 34 11.535 5.796 3.225 1.00 0.00 C ATOM 493 CG LYS A 34 12.353 5.125 4.315 1.00 0.00 C ATOM 494 CD LYS A 34 11.525 4.887 5.567 1.00 0.00 C ATOM 495 CE LYS A 34 12.402 4.510 6.751 1.00 0.00 C ATOM 496 NZ LYS A 34 13.253 5.648 7.196 1.00 0.00 N ATOM 0 H LYS A 34 10.447 6.663 1.168 1.00 0.00 H new ATOM 0 HA LYS A 34 13.183 6.427 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.278 6.806 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.598 5.253 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.740 4.175 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.214 5.747 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.957 5.786 5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.802 4.093 5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.773 4.182 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.037 3.667 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.598 5.467 8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.063 5.749 6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.693 6.524 7.188 1.00 0.00 H new ATOM 510 N PHE A 35 11.854 3.990 0.394 1.00 0.00 N ATOM 511 CA PHE A 35 12.078 2.660 -0.160 1.00 0.00 C ATOM 512 C PHE A 35 12.411 2.740 -1.647 1.00 0.00 C ATOM 513 O PHE A 35 12.275 1.758 -2.379 1.00 0.00 O ATOM 514 CB PHE A 35 10.842 1.782 0.051 1.00 0.00 C ATOM 515 CG PHE A 35 10.499 1.569 1.497 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.305 0.784 2.306 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.369 2.153 2.048 1.00 0.00 C ATOM 518 CE1 PHE A 35 10.992 0.586 3.638 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.051 1.958 3.379 1.00 0.00 C ATOM 520 CZ PHE A 35 9.863 1.173 4.175 1.00 0.00 C ATOM 0 H PHE A 35 11.095 4.508 -0.048 1.00 0.00 H new ATOM 0 HA PHE A 35 12.925 2.214 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.991 2.240 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.009 0.814 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.188 0.321 1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.730 2.767 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.630 -0.027 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.168 2.419 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.615 1.019 5.215 1.00 0.00 H new ATOM 530 N HIS A 36 12.847 3.915 -2.088 1.00 0.00 N ATOM 531 CA HIS A 36 13.200 4.124 -3.488 1.00 0.00 C ATOM 532 C HIS A 36 14.627 3.660 -3.763 1.00 0.00 C ATOM 533 O HIS A 36 15.535 3.853 -2.955 1.00 0.00 O ATOM 534 CB HIS A 36 13.051 5.600 -3.859 1.00 0.00 C ATOM 535 CG HIS A 36 12.684 5.823 -5.294 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.546 6.383 -6.212 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.541 5.555 -5.967 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.948 6.453 -7.388 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.730 5.956 -7.267 1.00 0.00 N ATOM 0 H HIS A 36 12.965 4.738 -1.496 1.00 0.00 H new ATOM 0 HA HIS A 36 12.520 3.533 -4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.289 6.051 -3.223 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.988 6.116 -3.648 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.647 5.109 -5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.381 6.849 -8.294 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.042 5.882 -8.017 1.00 0.00 H new ATOM 547 N PRO A 37 14.831 3.033 -4.931 1.00 0.00 N ATOM 548 CA PRO A 37 16.145 2.528 -5.340 1.00 0.00 C ATOM 549 C PRO A 37 17.124 3.652 -5.661 1.00 0.00 C ATOM 550 O PRO A 37 18.327 3.423 -5.789 1.00 0.00 O ATOM 551 CB PRO A 37 15.837 1.712 -6.598 1.00 0.00 C ATOM 552 CG PRO A 37 14.583 2.309 -7.138 1.00 0.00 C ATOM 553 CD PRO A 37 13.794 2.768 -5.943 1.00 0.00 C ATOM 0 HA PRO A 37 16.624 1.952 -4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.650 1.777 -7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.704 0.656 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.803 3.143 -7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.021 1.577 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.212 3.662 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.091 2.005 -5.608 1.00 0.00 H new ATOM 561 N ASP A 38 16.601 4.867 -5.789 1.00 0.00 N ATOM 562 CA ASP A 38 17.429 6.027 -6.094 1.00 0.00 C ATOM 563 C ASP A 38 17.647 6.882 -4.849 1.00 0.00 C ATOM 564 O ASP A 38 18.783 7.133 -4.446 1.00 0.00 O ATOM 565 CB ASP A 38 16.783 6.867 -7.197 1.00 0.00 C ATOM 566 CG ASP A 38 17.545 8.148 -7.472 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.760 8.068 -7.749 1.00 0.00 O ATOM 568 OD2 ASP A 38 16.926 9.231 -7.410 1.00 0.00 O ATOM 0 H ASP A 38 15.607 5.073 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 38 18.398 5.669 -6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.727 6.278 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.760 7.111 -6.912 1.00 0.00 H new ATOM 573 N LYS A 39 16.551 7.326 -4.244 1.00 0.00 N ATOM 574 CA LYS A 39 16.620 8.152 -3.044 1.00 0.00 C ATOM 575 C LYS A 39 17.270 7.388 -1.894 1.00 0.00 C ATOM 576 O LYS A 39 17.748 7.987 -0.932 1.00 0.00 O ATOM 577 CB LYS A 39 15.219 8.614 -2.636 1.00 0.00 C ATOM 578 CG LYS A 39 14.685 9.756 -3.483 1.00 0.00 C ATOM 579 CD LYS A 39 13.170 9.710 -3.590 1.00 0.00 C ATOM 580 CE LYS A 39 12.644 10.788 -4.525 1.00 0.00 C ATOM 581 NZ LYS A 39 11.383 10.371 -5.199 1.00 0.00 N ATOM 0 H LYS A 39 15.603 7.128 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 39 17.232 9.025 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.533 7.770 -2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.238 8.925 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.991 10.707 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.123 9.706 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.859 8.730 -3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.730 9.839 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.468 11.704 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.399 11.017 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.322 10.825 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.377 9.338 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.568 10.658 -4.620 1.00 0.00 H new ATOM 595 N ASN A 40 17.283 6.064 -2.003 1.00 0.00 N ATOM 596 CA ASN A 40 17.875 5.219 -0.972 1.00 0.00 C ATOM 597 C ASN A 40 19.181 4.599 -1.460 1.00 0.00 C ATOM 598 O ASN A 40 19.234 4.007 -2.539 1.00 0.00 O ATOM 599 CB ASN A 40 16.896 4.117 -0.562 1.00 0.00 C ATOM 600 CG ASN A 40 17.109 3.656 0.867 1.00 0.00 C ATOM 601 OD1 ASN A 40 16.061 3.116 1.477 1.00 0.00 O flip ATOM 602 ND2 ASN A 40 18.204 3.785 1.416 1.00 0.00 N flip ATOM 0 H ASN A 40 16.891 5.553 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 40 18.092 5.844 -0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.875 4.482 -0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.007 3.267 -1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 40 18.982 4.206 0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.332 3.471 2.378 1.00 0.00 H new ATOM 650 N GLY A 44 17.668 -3.448 0.211 1.00 0.00 N ATOM 651 CA GLY A 44 16.539 -3.881 1.012 1.00 0.00 C ATOM 652 C GLY A 44 15.342 -2.961 0.873 1.00 0.00 C ATOM 653 O GLY A 44 14.273 -3.385 0.433 1.00 0.00 O ATOM 0 HA2 GLY A 44 16.254 -4.891 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.837 -3.928 2.059 1.00 0.00 H new ATOM 657 N ALA A 45 15.521 -1.699 1.249 1.00 0.00 N ATOM 658 CA ALA A 45 14.447 -0.717 1.163 1.00 0.00 C ATOM 659 C ALA A 45 13.641 -0.896 -0.118 1.00 0.00 C ATOM 660 O ALA A 45 12.411 -0.958 -0.088 1.00 0.00 O ATOM 661 CB ALA A 45 15.014 0.693 1.240 1.00 0.00 C ATOM 0 H ALA A 45 16.399 -1.333 1.616 1.00 0.00 H new ATOM 0 HA ALA A 45 13.776 -0.874 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.201 1.416 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.540 0.823 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.708 0.852 0.415 1.00 0.00 H new ATOM 667 N THR A 46 14.340 -0.978 -1.246 1.00 0.00 N ATOM 668 CA THR A 46 13.689 -1.148 -2.539 1.00 0.00 C ATOM 669 C THR A 46 12.842 -2.415 -2.565 1.00 0.00 C ATOM 670 O THR A 46 11.658 -2.373 -2.899 1.00 0.00 O ATOM 671 CB THR A 46 14.719 -1.209 -3.683 1.00 0.00 C ATOM 672 OG1 THR A 46 15.873 -0.432 -3.344 1.00 0.00 O ATOM 673 CG2 THR A 46 14.117 -0.693 -4.981 1.00 0.00 C ATOM 0 H THR A 46 15.358 -0.929 -1.290 1.00 0.00 H new ATOM 0 HA THR A 46 13.045 -0.281 -2.686 1.00 0.00 H new ATOM 0 HB THR A 46 15.011 -2.250 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.524 -0.477 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.863 -0.746 -5.774 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.256 -1.304 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.800 0.342 -4.849 1.00 0.00 H new ATOM 681 N GLU A 47 13.455 -3.540 -2.211 1.00 0.00 N ATOM 682 CA GLU A 47 12.755 -4.818 -2.195 1.00 0.00 C ATOM 683 C GLU A 47 11.361 -4.668 -1.593 1.00 0.00 C ATOM 684 O GLU A 47 10.460 -5.455 -1.882 1.00 0.00 O ATOM 685 CB GLU A 47 13.556 -5.853 -1.402 1.00 0.00 C ATOM 686 CG GLU A 47 14.847 -6.276 -2.082 1.00 0.00 C ATOM 687 CD GLU A 47 15.399 -7.576 -1.531 1.00 0.00 C ATOM 688 OE1 GLU A 47 15.576 -7.672 -0.299 1.00 0.00 O ATOM 689 OE2 GLU A 47 15.653 -8.499 -2.333 1.00 0.00 O ATOM 0 H GLU A 47 14.435 -3.592 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 47 12.652 -5.159 -3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.790 -5.443 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.935 -6.734 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.670 -6.385 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.592 -5.489 -1.961 1.00 0.00 H new ATOM 696 N ALA A 48 11.192 -3.651 -0.753 1.00 0.00 N ATOM 697 CA ALA A 48 9.908 -3.396 -0.111 1.00 0.00 C ATOM 698 C ALA A 48 9.001 -2.564 -1.011 1.00 0.00 C ATOM 699 O ALA A 48 7.818 -2.867 -1.167 1.00 0.00 O ATOM 700 CB ALA A 48 10.116 -2.697 1.224 1.00 0.00 C ATOM 0 H ALA A 48 11.928 -2.991 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 48 9.420 -4.355 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.149 -2.513 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.720 -3.329 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.628 -1.748 1.062 1.00 0.00 H new ATOM 706 N PHE A 49 9.561 -1.513 -1.600 1.00 0.00 N ATOM 707 CA PHE A 49 8.802 -0.636 -2.483 1.00 0.00 C ATOM 708 C PHE A 49 7.906 -1.446 -3.415 1.00 0.00 C ATOM 709 O PHE A 49 6.743 -1.104 -3.630 1.00 0.00 O ATOM 710 CB PHE A 49 9.749 0.242 -3.303 1.00 0.00 C ATOM 711 CG PHE A 49 9.056 1.034 -4.374 1.00 0.00 C ATOM 712 CD1 PHE A 49 7.921 1.774 -4.083 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.538 1.039 -5.673 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.281 2.505 -5.066 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.903 1.767 -6.660 1.00 0.00 C ATOM 716 CZ PHE A 49 7.772 2.500 -6.357 1.00 0.00 C ATOM 0 H PHE A 49 10.539 -1.248 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 49 8.171 0.002 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.267 0.928 -2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.509 -0.389 -3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.532 1.780 -3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.421 0.467 -5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.399 3.079 -4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.290 1.763 -7.668 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.273 3.068 -7.128 1.00 0.00 H new ATOM 726 N LYS A 50 8.457 -2.522 -3.968 1.00 0.00 N ATOM 727 CA LYS A 50 7.710 -3.383 -4.877 1.00 0.00 C ATOM 728 C LYS A 50 6.384 -3.810 -4.256 1.00 0.00 C ATOM 729 O LYS A 50 5.342 -3.775 -4.910 1.00 0.00 O ATOM 730 CB LYS A 50 8.538 -4.618 -5.238 1.00 0.00 C ATOM 731 CG LYS A 50 9.598 -4.354 -6.293 1.00 0.00 C ATOM 732 CD LYS A 50 9.876 -5.593 -7.127 1.00 0.00 C ATOM 733 CE LYS A 50 11.022 -5.363 -8.101 1.00 0.00 C ATOM 734 NZ LYS A 50 11.258 -6.550 -8.968 1.00 0.00 N ATOM 0 H LYS A 50 9.419 -2.818 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 50 7.500 -2.816 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.021 -4.997 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.869 -5.401 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.271 -3.543 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.518 -4.025 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.117 -6.429 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.978 -5.871 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.801 -4.496 -8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.931 -5.133 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.046 -6.354 -9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.494 -7.371 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.399 -6.755 -9.518 1.00 0.00 H new ATOM 748 N ALA A 51 6.431 -4.212 -2.990 1.00 0.00 N ATOM 749 CA ALA A 51 5.232 -4.642 -2.280 1.00 0.00 C ATOM 750 C ALA A 51 4.286 -3.470 -2.041 1.00 0.00 C ATOM 751 O ALA A 51 3.089 -3.561 -2.316 1.00 0.00 O ATOM 752 CB ALA A 51 5.608 -5.298 -0.960 1.00 0.00 C ATOM 0 H ALA A 51 7.286 -4.249 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 51 4.713 -5.372 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.704 -5.614 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.239 -6.166 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.152 -4.584 -0.341 1.00 0.00 H new ATOM 758 N ILE A 52 4.829 -2.372 -1.527 1.00 0.00 N ATOM 759 CA ILE A 52 4.032 -1.183 -1.251 1.00 0.00 C ATOM 760 C ILE A 52 3.148 -0.826 -2.441 1.00 0.00 C ATOM 761 O ILE A 52 1.926 -0.951 -2.380 1.00 0.00 O ATOM 762 CB ILE A 52 4.924 0.024 -0.906 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.094 -0.413 -0.023 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.107 1.106 -0.215 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.787 0.736 0.674 1.00 0.00 C ATOM 0 H ILE A 52 5.818 -2.281 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 52 3.403 -1.416 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 52 5.327 0.435 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.730 -1.116 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.821 -0.948 -0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.751 1.952 0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.305 1.435 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.678 0.707 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.606 0.352 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.181 1.428 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.074 1.257 1.313 1.00 0.00 H new ATOM 777 N GLY A 53 3.777 -0.381 -3.525 1.00 0.00 N ATOM 778 CA GLY A 53 3.032 -0.014 -4.716 1.00 0.00 C ATOM 779 C GLY A 53 1.840 -0.919 -4.956 1.00 0.00 C ATOM 780 O GLY A 53 0.742 -0.448 -5.253 1.00 0.00 O ATOM 0 H GLY A 53 4.788 -0.268 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.689 1.016 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.694 -0.053 -5.581 1.00 0.00 H new ATOM 784 N THR A 54 2.056 -2.225 -4.831 1.00 0.00 N ATOM 785 CA THR A 54 0.992 -3.199 -5.040 1.00 0.00 C ATOM 786 C THR A 54 -0.232 -2.865 -4.195 1.00 0.00 C ATOM 787 O THR A 54 -1.347 -2.778 -4.709 1.00 0.00 O ATOM 788 CB THR A 54 1.463 -4.626 -4.701 1.00 0.00 C ATOM 789 OG1 THR A 54 2.670 -4.925 -5.410 1.00 0.00 O ATOM 790 CG2 THR A 54 0.393 -5.647 -5.056 1.00 0.00 C ATOM 0 H THR A 54 2.958 -2.632 -4.586 1.00 0.00 H new ATOM 0 HA THR A 54 0.724 -3.154 -6.096 1.00 0.00 H new ATOM 0 HB THR A 54 1.651 -4.678 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.431 -4.513 -4.950 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.748 -6.647 -4.808 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.515 -5.434 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.178 -5.593 -6.123 1.00 0.00 H new ATOM 798 N ALA A 55 -0.017 -2.680 -2.897 1.00 0.00 N ATOM 799 CA ALA A 55 -1.103 -2.353 -1.982 1.00 0.00 C ATOM 800 C ALA A 55 -1.795 -1.057 -2.391 1.00 0.00 C ATOM 801 O ALA A 55 -3.001 -1.038 -2.640 1.00 0.00 O ATOM 802 CB ALA A 55 -0.579 -2.246 -0.557 1.00 0.00 C ATOM 0 H ALA A 55 0.900 -2.751 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.838 -3.157 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.401 -2.001 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.137 -3.197 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.177 -1.463 -0.505 1.00 0.00 H new ATOM 808 N TYR A 56 -1.025 0.023 -2.459 1.00 0.00 N ATOM 809 CA TYR A 56 -1.565 1.324 -2.835 1.00 0.00 C ATOM 810 C TYR A 56 -2.360 1.229 -4.134 1.00 0.00 C ATOM 811 O TYR A 56 -3.403 1.865 -4.285 1.00 0.00 O ATOM 812 CB TYR A 56 -0.435 2.344 -2.990 1.00 0.00 C ATOM 813 CG TYR A 56 -0.906 3.704 -3.454 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.572 4.563 -2.589 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.683 4.129 -4.758 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.005 5.806 -3.009 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.111 5.371 -5.186 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.771 6.205 -4.309 1.00 0.00 C ATOM 819 OH TYR A 56 -2.199 7.443 -4.731 1.00 0.00 O ATOM 0 H TYR A 56 -0.025 0.023 -2.259 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.236 1.653 -2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.078 2.453 -2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.295 1.959 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.755 4.254 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.167 3.478 -5.448 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.523 6.461 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.929 5.687 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.955 7.570 -5.672 1.00 0.00 H new ATOM 829 N ALA A 57 -1.860 0.428 -5.069 1.00 0.00 N ATOM 830 CA ALA A 57 -2.523 0.246 -6.354 1.00 0.00 C ATOM 831 C ALA A 57 -3.916 -0.348 -6.174 1.00 0.00 C ATOM 832 O ALA A 57 -4.827 -0.068 -6.952 1.00 0.00 O ATOM 833 CB ALA A 57 -1.683 -0.640 -7.261 1.00 0.00 C ATOM 0 H ALA A 57 -0.997 -0.105 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.631 1.225 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.191 -0.767 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.711 -0.175 -7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.544 -1.614 -6.791 1.00 0.00 H new ATOM 839 N VAL A 58 -4.074 -1.171 -5.142 1.00 0.00 N ATOM 840 CA VAL A 58 -5.356 -1.805 -4.859 1.00 0.00 C ATOM 841 C VAL A 58 -6.349 -0.803 -4.282 1.00 0.00 C ATOM 842 O VAL A 58 -7.375 -0.505 -4.896 1.00 0.00 O ATOM 843 CB VAL A 58 -5.197 -2.978 -3.874 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.550 -3.597 -3.556 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.244 -4.021 -4.437 1.00 0.00 C ATOM 0 H VAL A 58 -3.330 -1.414 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.737 -2.185 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.773 -2.595 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.417 -4.424 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.198 -2.844 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.006 -3.967 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.144 -4.843 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.637 -4.402 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.268 -3.567 -4.607 1.00 0.00 H new ATOM 855 N LEU A 59 -6.038 -0.284 -3.099 1.00 0.00 N ATOM 856 CA LEU A 59 -6.904 0.687 -2.439 1.00 0.00 C ATOM 857 C LEU A 59 -7.134 1.905 -3.327 1.00 0.00 C ATOM 858 O LEU A 59 -8.250 2.417 -3.420 1.00 0.00 O ATOM 859 CB LEU A 59 -6.291 1.122 -1.106 1.00 0.00 C ATOM 860 CG LEU A 59 -5.871 -0.005 -0.161 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.270 0.565 1.115 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.057 -0.902 0.160 1.00 0.00 C ATOM 0 H LEU A 59 -5.193 -0.519 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.866 0.211 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.417 1.739 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.011 1.755 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.111 -0.607 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.977 -0.251 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.394 1.165 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.008 1.191 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.739 -1.698 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.840 -0.313 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.443 -1.339 -0.761 1.00 0.00 H new ATOM 874 N SER A 60 -6.071 2.364 -3.980 1.00 0.00 N ATOM 875 CA SER A 60 -6.156 3.523 -4.861 1.00 0.00 C ATOM 876 C SER A 60 -7.311 3.373 -5.846 1.00 0.00 C ATOM 877 O SER A 60 -8.001 4.342 -6.162 1.00 0.00 O ATOM 878 CB SER A 60 -4.842 3.709 -5.623 1.00 0.00 C ATOM 879 OG SER A 60 -4.512 2.546 -6.362 1.00 0.00 O ATOM 0 H SER A 60 -5.141 1.951 -3.916 1.00 0.00 H new ATOM 0 HA SER A 60 -6.338 4.404 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.927 4.561 -6.298 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.040 3.937 -4.921 1.00 0.00 H new ATOM 0 HG SER A 60 -4.019 2.801 -7.170 1.00 0.00 H new ATOM 885 N ASN A 61 -7.516 2.151 -6.327 1.00 0.00 N ATOM 886 CA ASN A 61 -8.587 1.873 -7.277 1.00 0.00 C ATOM 887 C ASN A 61 -9.894 1.570 -6.550 1.00 0.00 C ATOM 888 O ASN A 61 -9.912 0.952 -5.485 1.00 0.00 O ATOM 889 CB ASN A 61 -8.206 0.696 -8.176 1.00 0.00 C ATOM 890 CG ASN A 61 -7.441 1.135 -9.410 1.00 0.00 C ATOM 891 OD1 ASN A 61 -8.027 1.623 -10.376 1.00 0.00 O ATOM 892 ND2 ASN A 61 -6.125 0.962 -9.382 1.00 0.00 N ATOM 0 H ASN A 61 -6.955 1.338 -6.075 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.732 2.760 -7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.600 -0.010 -7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.109 0.168 -8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.557 1.238 -10.183 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.682 0.553 -8.559 1.00 0.00 H new ATOM 899 N PRO A 62 -11.015 2.015 -7.137 1.00 0.00 N ATOM 900 CA PRO A 62 -12.347 1.802 -6.563 1.00 0.00 C ATOM 901 C PRO A 62 -12.778 0.341 -6.625 1.00 0.00 C ATOM 902 O PRO A 62 -13.488 -0.143 -5.744 1.00 0.00 O ATOM 903 CB PRO A 62 -13.254 2.665 -7.444 1.00 0.00 C ATOM 904 CG PRO A 62 -12.533 2.768 -8.743 1.00 0.00 C ATOM 905 CD PRO A 62 -11.068 2.760 -8.406 1.00 0.00 C ATOM 0 HA PRO A 62 -12.382 2.064 -5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.235 2.207 -7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.416 3.648 -7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.787 1.934 -9.397 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.807 3.682 -9.270 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.479 2.273 -9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.675 3.771 -8.295 1.00 0.00 H new ATOM 913 N GLU A 63 -12.343 -0.356 -7.669 1.00 0.00 N ATOM 914 CA GLU A 63 -12.685 -1.763 -7.844 1.00 0.00 C ATOM 915 C GLU A 63 -11.838 -2.646 -6.932 1.00 0.00 C ATOM 916 O GLU A 63 -12.359 -3.512 -6.229 1.00 0.00 O ATOM 917 CB GLU A 63 -12.488 -2.181 -9.303 1.00 0.00 C ATOM 918 CG GLU A 63 -12.890 -3.619 -9.583 1.00 0.00 C ATOM 919 CD GLU A 63 -14.378 -3.772 -9.832 1.00 0.00 C ATOM 920 OE1 GLU A 63 -15.161 -3.012 -9.225 1.00 0.00 O ATOM 921 OE2 GLU A 63 -14.759 -4.651 -10.632 1.00 0.00 O ATOM 0 H GLU A 63 -11.753 0.030 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.733 -1.892 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.070 -1.518 -9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.441 -2.046 -9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.341 -3.983 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.601 -4.244 -8.738 1.00 0.00 H new ATOM 928 N LYS A 64 -10.529 -2.422 -6.950 1.00 0.00 N ATOM 929 CA LYS A 64 -9.608 -3.195 -6.126 1.00 0.00 C ATOM 930 C LYS A 64 -9.797 -2.870 -4.648 1.00 0.00 C ATOM 931 O LYS A 64 -9.432 -3.660 -3.777 1.00 0.00 O ATOM 932 CB LYS A 64 -8.162 -2.915 -6.540 1.00 0.00 C ATOM 933 CG LYS A 64 -7.815 -3.432 -7.926 1.00 0.00 C ATOM 934 CD LYS A 64 -6.312 -3.543 -8.119 1.00 0.00 C ATOM 935 CE LYS A 64 -5.968 -4.332 -9.374 1.00 0.00 C ATOM 936 NZ LYS A 64 -4.505 -4.328 -9.648 1.00 0.00 N ATOM 0 H LYS A 64 -10.081 -1.710 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.824 -4.252 -6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.985 -1.840 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.490 -3.370 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.275 -4.408 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.231 -2.763 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.878 -2.545 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.867 -4.028 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.314 -5.360 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.498 -3.908 -10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.312 -4.876 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.179 -3.349 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.000 -4.756 -8.846 1.00 0.00 H new ATOM 950 N ARG A 65 -10.369 -1.703 -4.372 1.00 0.00 N ATOM 951 CA ARG A 65 -10.607 -1.273 -2.999 1.00 0.00 C ATOM 952 C ARG A 65 -11.903 -1.870 -2.459 1.00 0.00 C ATOM 953 O ARG A 65 -11.894 -2.627 -1.488 1.00 0.00 O ATOM 954 CB ARG A 65 -10.664 0.253 -2.922 1.00 0.00 C ATOM 955 CG ARG A 65 -11.009 0.781 -1.539 1.00 0.00 C ATOM 956 CD ARG A 65 -10.727 2.271 -1.425 1.00 0.00 C ATOM 957 NE ARG A 65 -10.884 2.755 -0.056 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.062 3.020 0.500 1.00 0.00 C ATOM 959 NH1 ARG A 65 -13.179 2.849 -0.193 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.123 3.457 1.751 1.00 0.00 N ATOM 0 H ARG A 65 -10.677 -1.038 -5.081 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.780 -1.629 -2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.700 0.660 -3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.403 0.617 -3.635 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.062 0.592 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.432 0.242 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.713 2.475 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.402 2.819 -2.083 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.044 2.898 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.136 2.513 -1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.082 3.053 0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.266 3.590 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.027 3.660 2.177 1.00 0.00 H new ATOM 974 N LYS A 66 -13.017 -1.524 -3.095 1.00 0.00 N ATOM 975 CA LYS A 66 -14.322 -2.025 -2.680 1.00 0.00 C ATOM 976 C LYS A 66 -14.295 -3.541 -2.513 1.00 0.00 C ATOM 977 O LYS A 66 -14.935 -4.086 -1.614 1.00 0.00 O ATOM 978 CB LYS A 66 -15.391 -1.633 -3.704 1.00 0.00 C ATOM 979 CG LYS A 66 -15.249 -2.350 -5.035 1.00 0.00 C ATOM 980 CD LYS A 66 -16.025 -3.656 -5.051 1.00 0.00 C ATOM 981 CE LYS A 66 -16.444 -4.039 -6.462 1.00 0.00 C ATOM 982 NZ LYS A 66 -17.444 -3.087 -7.021 1.00 0.00 N ATOM 0 H LYS A 66 -13.042 -0.898 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.567 -1.575 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.376 -1.847 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.343 -0.557 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.606 -1.704 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.196 -2.549 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.412 -4.450 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.909 -3.563 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.566 -4.064 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.864 -5.045 -6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.331 -3.592 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.625 -2.329 -6.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.076 -2.674 -7.902 1.00 0.00 H new ATOM 996 N GLN A 67 -13.550 -4.214 -3.383 1.00 0.00 N ATOM 997 CA GLN A 67 -13.440 -5.667 -3.330 1.00 0.00 C ATOM 998 C GLN A 67 -12.644 -6.108 -2.106 1.00 0.00 C ATOM 999 O GLN A 67 -12.921 -7.153 -1.517 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.776 -6.196 -4.603 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.257 -6.148 -4.562 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.622 -6.725 -5.811 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -11.191 -6.654 -6.901 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.434 -7.300 -5.660 1.00 0.00 N ATOM 0 H GLN A 67 -13.014 -3.777 -4.133 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.446 -6.080 -3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.094 -7.225 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.127 -5.613 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.933 -5.115 -4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.903 -6.699 -3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.999 -7.337 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.957 -7.705 -6.466 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.654 -5.306 -1.730 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.816 -5.616 -0.578 1.00 0.00 C ATOM 1015 C TYR A 68 -11.563 -5.352 0.726 1.00 0.00 C ATOM 1016 O TYR A 68 -11.619 -6.210 1.607 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.531 -4.787 -0.618 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.536 -5.160 0.457 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.849 -6.367 0.408 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.283 -4.306 1.524 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -6.939 -6.712 1.389 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.374 -4.642 2.508 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.705 -5.846 2.436 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.800 -6.186 3.416 1.00 0.00 O ATOM 0 H TYR A 68 -11.412 -4.437 -2.206 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.560 -6.675 -0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.061 -4.908 -1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.786 -3.732 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.029 -7.047 -0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.806 -3.363 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.414 -7.654 1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.188 -3.966 3.329 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.103 -6.758 3.033 1.00 0.00 H new