USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 378 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 TYR OH : rot 102:sc= 0.17 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 100:sc= 0.443 USER MOD Single : A 18 SER OG : rot 39:sc= 0.0648 USER MOD Single : A 26 THR OG1 : rot 39:sc= 0.274 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.556 (180deg=-1.89!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 51 SER OG : rot 180:sc= -0.316 USER MOD Single : A 56 SER OG : rot -123:sc= 1.23 USER MOD Single : A 57 ASN : amide:sc= -3.39! C(o=-3.4!,f=-12!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 147:sc= -0.0247 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 8.408 0.695 -7.555 1.00 0.00 N ATOM 67 CA GLY A 8 7.233 0.457 -6.734 1.00 0.00 C ATOM 68 C GLY A 8 7.581 -0.399 -5.514 1.00 0.00 C ATOM 69 O GLY A 8 8.409 -1.305 -5.603 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.814 1.409 -6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.466 -0.042 -7.326 1.00 0.00 H new ATOM 73 N GLU A 9 6.933 -0.081 -4.403 1.00 0.00 N ATOM 74 CA GLU A 9 7.164 -0.809 -3.167 1.00 0.00 C ATOM 75 C GLU A 9 5.878 -1.502 -2.712 1.00 0.00 C ATOM 76 O GLU A 9 4.847 -0.854 -2.539 1.00 0.00 O ATOM 77 CB GLU A 9 7.702 0.119 -2.077 1.00 0.00 C ATOM 78 CG GLU A 9 9.161 0.494 -2.346 1.00 0.00 C ATOM 79 CD GLU A 9 10.085 -0.094 -1.277 1.00 0.00 C ATOM 80 OE1 GLU A 9 10.090 -1.338 -1.154 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.764 0.714 -0.608 1.00 0.00 O ATOM 0 H GLU A 9 6.248 0.671 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 9 7.919 -1.573 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.093 1.022 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.622 -0.370 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.458 0.129 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.264 1.579 -2.364 1.00 0.00 H new ATOM 88 N GLU A 10 5.982 -2.810 -2.530 1.00 0.00 N ATOM 89 CA GLU A 10 4.840 -3.599 -2.098 1.00 0.00 C ATOM 90 C GLU A 10 4.650 -3.472 -0.585 1.00 0.00 C ATOM 91 O GLU A 10 5.616 -3.539 0.174 1.00 0.00 O ATOM 92 CB GLU A 10 4.998 -5.064 -2.510 1.00 0.00 C ATOM 93 CG GLU A 10 4.846 -5.227 -4.023 1.00 0.00 C ATOM 94 CD GLU A 10 6.213 -5.319 -4.705 1.00 0.00 C ATOM 95 OE1 GLU A 10 6.959 -6.260 -4.356 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.481 -4.447 -5.559 1.00 0.00 O ATOM 0 H GLU A 10 6.839 -3.344 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 10 3.948 -3.212 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.976 -5.430 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.252 -5.672 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.267 -6.125 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.289 -4.383 -4.429 1.00 0.00 H new ATOM 103 N TYR A 11 3.398 -3.290 -0.192 1.00 0.00 N ATOM 104 CA TYR A 11 3.068 -3.153 1.217 1.00 0.00 C ATOM 105 C TYR A 11 1.762 -3.878 1.548 1.00 0.00 C ATOM 106 O TYR A 11 0.855 -3.940 0.719 1.00 0.00 O ATOM 107 CB TYR A 11 2.883 -1.655 1.463 1.00 0.00 C ATOM 108 CG TYR A 11 4.165 -0.928 1.872 1.00 0.00 C ATOM 109 CD1 TYR A 11 5.038 -0.471 0.905 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.450 -0.729 3.208 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.245 0.214 1.290 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.657 -0.044 3.593 1.00 0.00 C ATOM 113 CZ TYR A 11 6.495 0.393 2.615 1.00 0.00 C ATOM 114 OH TYR A 11 7.635 1.039 2.979 1.00 0.00 O ATOM 0 H TYR A 11 2.600 -3.234 -0.824 1.00 0.00 H new ATOM 0 HA TYR A 11 3.853 -3.585 1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.490 -1.194 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.134 -1.515 2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.816 -0.627 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.768 -1.087 3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.936 0.577 0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.891 0.119 4.635 1.00 0.00 H new ATOM 0 HH TYR A 11 7.422 1.961 3.234 1.00 0.00 H new ATOM 124 N ILE A 12 1.707 -4.408 2.761 1.00 0.00 N ATOM 125 CA ILE A 12 0.527 -5.126 3.211 1.00 0.00 C ATOM 126 C ILE A 12 -0.295 -4.221 4.131 1.00 0.00 C ATOM 127 O ILE A 12 0.228 -3.678 5.102 1.00 0.00 O ATOM 128 CB ILE A 12 0.922 -6.458 3.852 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.794 -7.285 2.905 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.314 -7.232 4.315 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.937 -8.035 1.884 1.00 0.00 C ATOM 0 H ILE A 12 2.461 -4.354 3.446 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.109 -5.383 2.364 1.00 0.00 H new ATOM 0 HB ILE A 12 1.520 -6.246 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.495 -6.631 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.387 -7.996 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.005 -8.175 4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.860 -6.640 5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.959 -7.434 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.582 -8.615 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.254 -8.706 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.363 -7.319 1.295 1.00 0.00 H new ATOM 143 N ALA A 13 -1.569 -4.087 3.791 1.00 0.00 N ATOM 144 CA ALA A 13 -2.469 -3.257 4.574 1.00 0.00 C ATOM 145 C ALA A 13 -2.659 -3.883 5.957 1.00 0.00 C ATOM 146 O ALA A 13 -3.213 -4.974 6.078 1.00 0.00 O ATOM 147 CB ALA A 13 -3.791 -3.088 3.824 1.00 0.00 C ATOM 0 H ALA A 13 -1.999 -4.539 2.984 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.047 -2.262 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.466 -2.465 4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.605 -2.613 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.246 -4.065 3.664 1.00 0.00 H new ATOM 153 N LEU A 14 -2.188 -3.165 6.967 1.00 0.00 N ATOM 154 CA LEU A 14 -2.299 -3.636 8.336 1.00 0.00 C ATOM 155 C LEU A 14 -3.771 -3.639 8.752 1.00 0.00 C ATOM 156 O LEU A 14 -4.310 -4.677 9.135 1.00 0.00 O ATOM 157 CB LEU A 14 -1.400 -2.813 9.261 1.00 0.00 C ATOM 158 CG LEU A 14 0.104 -2.915 9.000 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.832 -1.662 9.490 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.682 -4.191 9.616 1.00 0.00 C ATOM 0 H LEU A 14 -1.729 -2.260 6.863 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.943 -4.663 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.692 -1.766 9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.592 -3.120 10.289 1.00 0.00 H new ATOM 0 HG LEU A 14 0.260 -2.978 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.899 -1.761 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.445 -0.788 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.671 -1.543 10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.752 -4.239 9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.514 -4.184 10.693 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.192 -5.061 9.178 1.00 0.00 H new ATOM 172 N TYR A 15 -4.380 -2.466 8.663 1.00 0.00 N ATOM 173 CA TYR A 15 -5.780 -2.320 9.026 1.00 0.00 C ATOM 174 C TYR A 15 -6.606 -1.831 7.835 1.00 0.00 C ATOM 175 O TYR A 15 -6.070 -1.223 6.909 1.00 0.00 O ATOM 176 CB TYR A 15 -5.821 -1.261 10.129 1.00 0.00 C ATOM 177 CG TYR A 15 -4.785 -1.473 11.235 1.00 0.00 C ATOM 178 CD1 TYR A 15 -5.084 -2.279 12.315 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.552 -0.859 11.152 1.00 0.00 C ATOM 180 CE1 TYR A 15 -4.108 -2.479 13.355 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.577 -1.059 12.192 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.903 -1.859 13.243 1.00 0.00 C ATOM 183 OH TYR A 15 -1.982 -2.048 14.225 1.00 0.00 O ATOM 0 H TYR A 15 -3.930 -1.608 8.345 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.195 -3.275 9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.664 -0.279 9.682 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.816 -1.253 10.574 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.049 -2.759 12.380 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.318 -0.228 10.307 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.328 -3.108 14.205 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.608 -0.585 12.139 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.168 -1.545 14.012 1.00 0.00 H new ATOM 193 N PRO A 16 -7.934 -2.121 7.898 1.00 0.00 N ATOM 194 CA PRO A 16 -8.840 -1.717 6.836 1.00 0.00 C ATOM 195 C PRO A 16 -9.129 -0.217 6.904 1.00 0.00 C ATOM 196 O PRO A 16 -9.741 0.259 7.859 1.00 0.00 O ATOM 197 CB PRO A 16 -10.081 -2.572 7.033 1.00 0.00 C ATOM 198 CG PRO A 16 -10.013 -3.084 8.462 1.00 0.00 C ATOM 199 CD PRO A 16 -8.604 -2.838 8.978 1.00 0.00 C ATOM 0 HA PRO A 16 -8.420 -1.871 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.987 -1.988 6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.102 -3.399 6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.744 -2.570 9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.253 -4.147 8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.615 -2.250 9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.096 -3.775 9.206 1.00 0.00 H new ATOM 207 N TYR A 17 -8.677 0.488 5.877 1.00 0.00 N ATOM 208 CA TYR A 17 -8.880 1.925 5.808 1.00 0.00 C ATOM 209 C TYR A 17 -9.872 2.286 4.700 1.00 0.00 C ATOM 210 O TYR A 17 -9.654 1.955 3.535 1.00 0.00 O ATOM 211 CB TYR A 17 -7.515 2.528 5.470 1.00 0.00 C ATOM 212 CG TYR A 17 -7.521 4.053 5.349 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.379 4.835 6.478 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.668 4.647 4.112 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.384 6.270 6.365 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.674 6.083 3.999 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.532 6.823 5.131 1.00 0.00 C ATOM 218 OH TYR A 17 -7.537 8.179 5.024 1.00 0.00 O ATOM 0 H TYR A 17 -8.171 0.090 5.086 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.282 2.301 6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.800 2.238 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.163 2.101 4.531 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.264 4.370 7.446 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.779 4.035 3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.273 6.893 7.240 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.789 6.561 3.037 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.653 8.488 4.736 1.00 0.00 H new ATOM 228 N SER A 18 -10.939 2.959 5.102 1.00 0.00 N ATOM 229 CA SER A 18 -11.965 3.368 4.158 1.00 0.00 C ATOM 230 C SER A 18 -12.122 4.890 4.182 1.00 0.00 C ATOM 231 O SER A 18 -12.297 5.483 5.246 1.00 0.00 O ATOM 232 CB SER A 18 -13.302 2.692 4.470 1.00 0.00 C ATOM 233 OG SER A 18 -13.704 2.902 5.821 1.00 0.00 O ATOM 0 H SER A 18 -11.116 3.232 6.069 1.00 0.00 H new ATOM 0 HA SER A 18 -11.655 3.057 3.160 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.069 3.079 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.221 1.622 4.278 1.00 0.00 H new ATOM 0 HG SER A 18 -13.488 3.820 6.088 1.00 0.00 H new ATOM 295 N GLY A 23 -9.958 10.660 -3.401 1.00 0.00 N ATOM 296 CA GLY A 23 -8.559 11.052 -3.383 1.00 0.00 C ATOM 297 C GLY A 23 -7.712 10.029 -2.624 1.00 0.00 C ATOM 298 O GLY A 23 -6.628 9.659 -3.073 1.00 0.00 O ATOM 0 HA2 GLY A 23 -8.191 11.147 -4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.458 12.031 -2.915 1.00 0.00 H new ATOM 302 N ASP A 24 -8.238 9.601 -1.486 1.00 0.00 N ATOM 303 CA ASP A 24 -7.544 8.627 -0.660 1.00 0.00 C ATOM 304 C ASP A 24 -7.833 7.220 -1.186 1.00 0.00 C ATOM 305 O ASP A 24 -8.974 6.898 -1.512 1.00 0.00 O ATOM 306 CB ASP A 24 -8.021 8.697 0.792 1.00 0.00 C ATOM 307 CG ASP A 24 -6.918 8.942 1.824 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.274 7.944 2.213 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.745 10.121 2.200 1.00 0.00 O ATOM 0 H ASP A 24 -9.137 9.911 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.478 8.849 -0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.761 9.493 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.527 7.763 1.038 1.00 0.00 H new ATOM 314 N LEU A 25 -6.779 6.420 -1.252 1.00 0.00 N ATOM 315 CA LEU A 25 -6.905 5.054 -1.733 1.00 0.00 C ATOM 316 C LEU A 25 -7.616 4.209 -0.674 1.00 0.00 C ATOM 317 O LEU A 25 -7.130 4.078 0.449 1.00 0.00 O ATOM 318 CB LEU A 25 -5.539 4.503 -2.145 1.00 0.00 C ATOM 319 CG LEU A 25 -5.555 3.191 -2.932 1.00 0.00 C ATOM 320 CD1 LEU A 25 -5.991 3.426 -4.380 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.200 2.485 -2.849 1.00 0.00 C ATOM 0 H LEU A 25 -5.834 6.691 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.520 5.022 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.031 5.258 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.942 4.357 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.291 2.529 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.994 2.478 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.993 3.854 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.297 4.114 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.239 1.555 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.427 3.132 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.968 2.264 -1.807 1.00 0.00 H new ATOM 333 N THR A 26 -8.754 3.658 -1.068 1.00 0.00 N ATOM 334 CA THR A 26 -9.537 2.829 -0.167 1.00 0.00 C ATOM 335 C THR A 26 -9.112 1.364 -0.286 1.00 0.00 C ATOM 336 O THR A 26 -9.074 0.812 -1.385 1.00 0.00 O ATOM 337 CB THR A 26 -11.017 3.060 -0.477 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.126 2.790 -1.872 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.419 4.531 -0.350 1.00 0.00 C ATOM 0 H THR A 26 -9.153 3.769 -2.000 1.00 0.00 H new ATOM 0 HA THR A 26 -9.362 3.102 0.874 1.00 0.00 H new ATOM 0 HB THR A 26 -11.627 2.457 0.196 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.557 2.026 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.479 4.640 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.232 4.873 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.833 5.130 -1.047 1.00 0.00 H new ATOM 347 N PHE A 27 -8.803 0.776 0.860 1.00 0.00 N ATOM 348 CA PHE A 27 -8.383 -0.615 0.898 1.00 0.00 C ATOM 349 C PHE A 27 -8.688 -1.243 2.260 1.00 0.00 C ATOM 350 O PHE A 27 -8.873 -0.533 3.247 1.00 0.00 O ATOM 351 CB PHE A 27 -6.870 -0.631 0.669 1.00 0.00 C ATOM 352 CG PHE A 27 -6.099 0.369 1.533 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.782 0.055 2.818 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.732 1.572 1.017 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.066 0.983 3.620 1.00 0.00 C ATOM 356 CE2 PHE A 27 -5.016 2.500 1.819 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.699 2.186 3.103 1.00 0.00 C ATOM 0 H PHE A 27 -8.835 1.237 1.769 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.916 -1.186 0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.493 -1.634 0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.670 -0.418 -0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.075 -0.900 3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.985 1.822 -0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.813 0.733 4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.723 3.455 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.155 2.892 3.713 1.00 0.00 H new ATOM 367 N THR A 28 -8.729 -2.567 2.269 1.00 0.00 N ATOM 368 CA THR A 28 -9.008 -3.298 3.493 1.00 0.00 C ATOM 369 C THR A 28 -7.733 -3.954 4.025 1.00 0.00 C ATOM 370 O THR A 28 -6.684 -3.890 3.384 1.00 0.00 O ATOM 371 CB THR A 28 -10.129 -4.298 3.201 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.794 -4.833 1.924 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.480 -3.615 2.976 1.00 0.00 C ATOM 0 H THR A 28 -8.574 -3.152 1.448 1.00 0.00 H new ATOM 0 HA THR A 28 -9.347 -2.629 4.284 1.00 0.00 H new ATOM 0 HB THR A 28 -10.212 -5.002 4.029 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.469 -5.492 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.240 -4.370 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.756 -3.053 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.407 -2.936 2.127 1.00 0.00 H new ATOM 381 N GLU A 29 -7.863 -4.569 5.191 1.00 0.00 N ATOM 382 CA GLU A 29 -6.734 -5.236 5.816 1.00 0.00 C ATOM 383 C GLU A 29 -6.393 -6.522 5.061 1.00 0.00 C ATOM 384 O GLU A 29 -7.253 -7.381 4.870 1.00 0.00 O ATOM 385 CB GLU A 29 -7.016 -5.525 7.292 1.00 0.00 C ATOM 386 CG GLU A 29 -6.097 -6.628 7.820 1.00 0.00 C ATOM 387 CD GLU A 29 -6.846 -7.957 7.938 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.957 -7.933 8.511 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.290 -8.966 7.454 1.00 0.00 O ATOM 0 H GLU A 29 -8.734 -4.619 5.720 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.872 -4.570 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.874 -4.617 7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.057 -5.824 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.244 -6.746 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.702 -6.341 8.795 1.00 0.00 H new ATOM 396 N GLY A 30 -5.136 -6.615 4.653 1.00 0.00 N ATOM 397 CA GLY A 30 -4.670 -7.782 3.924 1.00 0.00 C ATOM 398 C GLY A 30 -4.404 -7.441 2.456 1.00 0.00 C ATOM 399 O GLY A 30 -3.569 -8.072 1.810 1.00 0.00 O ATOM 0 H GLY A 30 -4.426 -5.901 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.758 -8.162 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.414 -8.576 3.988 1.00 0.00 H new ATOM 403 N GLU A 31 -5.129 -6.444 1.972 1.00 0.00 N ATOM 404 CA GLU A 31 -4.982 -6.011 0.593 1.00 0.00 C ATOM 405 C GLU A 31 -3.526 -5.637 0.307 1.00 0.00 C ATOM 406 O GLU A 31 -2.821 -5.152 1.190 1.00 0.00 O ATOM 407 CB GLU A 31 -5.920 -4.843 0.282 1.00 0.00 C ATOM 408 CG GLU A 31 -7.252 -5.343 -0.280 1.00 0.00 C ATOM 409 CD GLU A 31 -7.216 -5.399 -1.808 1.00 0.00 C ATOM 410 OE1 GLU A 31 -7.125 -4.310 -2.414 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.282 -6.530 -2.336 1.00 0.00 O ATOM 0 H GLU A 31 -5.821 -5.923 2.511 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.259 -6.839 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.098 -4.264 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.447 -4.173 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.470 -6.334 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.058 -4.685 0.044 1.00 0.00 H new ATOM 418 N GLU A 32 -3.120 -5.877 -0.931 1.00 0.00 N ATOM 419 CA GLU A 32 -1.761 -5.572 -1.345 1.00 0.00 C ATOM 420 C GLU A 32 -1.725 -4.248 -2.112 1.00 0.00 C ATOM 421 O GLU A 32 -2.118 -4.190 -3.276 1.00 0.00 O ATOM 422 CB GLU A 32 -1.175 -6.708 -2.185 1.00 0.00 C ATOM 423 CG GLU A 32 -0.209 -7.559 -1.359 1.00 0.00 C ATOM 424 CD GLU A 32 0.106 -8.877 -2.069 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.159 -8.851 -3.318 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.286 -9.882 -1.347 1.00 0.00 O ATOM 0 H GLU A 32 -3.708 -6.279 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.144 -5.470 -0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.980 -7.334 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.654 -6.295 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.714 -7.005 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.644 -7.764 -0.381 1.00 0.00 H new ATOM 433 N ILE A 33 -1.249 -3.218 -1.429 1.00 0.00 N ATOM 434 CA ILE A 33 -1.156 -1.899 -2.031 1.00 0.00 C ATOM 435 C ILE A 33 0.243 -1.710 -2.621 1.00 0.00 C ATOM 436 O ILE A 33 1.241 -2.024 -1.974 1.00 0.00 O ATOM 437 CB ILE A 33 -1.547 -0.819 -1.020 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.945 -1.079 -0.454 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.428 0.577 -1.634 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.910 -1.174 1.073 1.00 0.00 C ATOM 0 H ILE A 33 -0.923 -3.270 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.865 -1.805 -2.853 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.847 -0.864 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.619 -0.277 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.343 -2.004 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.712 1.325 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.399 0.750 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.089 0.652 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.916 -1.359 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.255 -1.992 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.534 -0.238 1.487 1.00 0.00 H new ATOM 452 N LEU A 34 0.271 -1.198 -3.843 1.00 0.00 N ATOM 453 CA LEU A 34 1.531 -0.964 -4.527 1.00 0.00 C ATOM 454 C LEU A 34 1.912 0.512 -4.395 1.00 0.00 C ATOM 455 O LEU A 34 1.298 1.374 -5.022 1.00 0.00 O ATOM 456 CB LEU A 34 1.452 -1.450 -5.976 1.00 0.00 C ATOM 457 CG LEU A 34 2.755 -1.390 -6.775 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.892 -2.087 -6.025 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.563 -1.960 -8.182 1.00 0.00 C ATOM 0 H LEU A 34 -0.559 -0.939 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 34 2.329 -1.543 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.097 -2.481 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.702 -0.856 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 34 3.038 -0.343 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.806 -2.029 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.049 -1.596 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.632 -3.133 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.505 -1.905 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.244 -3.000 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.804 -1.382 -8.708 1.00 0.00 H new ATOM 471 N VAL A 35 2.922 0.758 -3.574 1.00 0.00 N ATOM 472 CA VAL A 35 3.392 2.115 -3.350 1.00 0.00 C ATOM 473 C VAL A 35 4.384 2.494 -4.452 1.00 0.00 C ATOM 474 O VAL A 35 5.227 1.686 -4.838 1.00 0.00 O ATOM 475 CB VAL A 35 3.983 2.239 -1.945 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.602 3.622 -1.731 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.929 1.939 -0.878 1.00 0.00 C ATOM 0 H VAL A 35 3.428 0.040 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 35 2.563 2.820 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 35 4.777 1.498 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.015 3.684 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.397 3.782 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.836 4.387 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.376 2.034 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.104 2.645 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.555 0.924 -1.011 1.00 0.00 H new ATOM 487 N THR A 36 4.251 3.724 -4.926 1.00 0.00 N ATOM 488 CA THR A 36 5.125 4.220 -5.975 1.00 0.00 C ATOM 489 C THR A 36 5.708 5.580 -5.586 1.00 0.00 C ATOM 490 O THR A 36 6.898 5.826 -5.773 1.00 0.00 O ATOM 491 CB THR A 36 4.327 4.252 -7.280 1.00 0.00 C ATOM 492 OG1 THR A 36 3.265 5.165 -7.015 1.00 0.00 O ATOM 493 CG2 THR A 36 3.617 2.927 -7.565 1.00 0.00 C ATOM 0 H THR A 36 3.551 4.392 -4.603 1.00 0.00 H new ATOM 0 HA THR A 36 5.983 3.563 -6.118 1.00 0.00 H new ATOM 0 HB THR A 36 4.995 4.491 -8.108 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.698 5.247 -7.810 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.066 3.004 -8.502 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.355 2.128 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.924 2.704 -6.754 1.00 0.00 H new ATOM 501 N GLN A 37 4.841 6.427 -5.050 1.00 0.00 N ATOM 502 CA GLN A 37 5.255 7.756 -4.632 1.00 0.00 C ATOM 503 C GLN A 37 5.077 7.917 -3.121 1.00 0.00 C ATOM 504 O GLN A 37 4.004 7.641 -2.586 1.00 0.00 O ATOM 505 CB GLN A 37 4.482 8.836 -5.393 1.00 0.00 C ATOM 506 CG GLN A 37 5.436 9.860 -6.011 1.00 0.00 C ATOM 507 CD GLN A 37 4.721 11.187 -6.273 1.00 0.00 C ATOM 508 OE1 GLN A 37 4.153 11.417 -7.328 1.00 0.00 O ATOM 509 NE2 GLN A 37 4.780 12.044 -5.258 1.00 0.00 N ATOM 0 H GLN A 37 3.854 6.219 -4.896 1.00 0.00 H new ATOM 0 HA GLN A 37 6.312 7.877 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.881 8.374 -6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.791 9.339 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.282 10.024 -5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.839 9.469 -6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.272 11.788 -4.402 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.333 12.958 -5.335 1.00 0.00 H new ATOM 518 N LYS A 38 6.144 8.363 -2.476 1.00 0.00 N ATOM 519 CA LYS A 38 6.119 8.564 -1.037 1.00 0.00 C ATOM 520 C LYS A 38 6.299 10.052 -0.731 1.00 0.00 C ATOM 521 O LYS A 38 7.411 10.573 -0.795 1.00 0.00 O ATOM 522 CB LYS A 38 7.152 7.666 -0.353 1.00 0.00 C ATOM 523 CG LYS A 38 6.959 6.202 -0.755 1.00 0.00 C ATOM 524 CD LYS A 38 7.778 5.274 0.144 1.00 0.00 C ATOM 525 CE LYS A 38 7.624 3.815 -0.289 1.00 0.00 C ATOM 526 NZ LYS A 38 8.951 3.187 -0.476 1.00 0.00 N ATOM 0 H LYS A 38 7.032 8.591 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 38 5.153 8.269 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.157 7.991 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.065 7.764 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.903 5.939 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.258 6.064 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.829 5.559 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.455 5.386 1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.057 3.265 0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.056 3.763 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.879 2.165 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.277 3.348 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.631 3.607 0.190 1.00 0.00 H new ATOM 540 N ASP A 39 5.187 10.694 -0.404 1.00 0.00 N ATOM 541 CA ASP A 39 5.208 12.112 -0.087 1.00 0.00 C ATOM 542 C ASP A 39 4.909 12.303 1.401 1.00 0.00 C ATOM 543 O ASP A 39 3.757 12.212 1.823 1.00 0.00 O ATOM 544 CB ASP A 39 4.143 12.870 -0.884 1.00 0.00 C ATOM 545 CG ASP A 39 4.302 14.391 -0.891 1.00 0.00 C ATOM 546 OD1 ASP A 39 5.304 14.860 -0.309 1.00 0.00 O ATOM 547 OD2 ASP A 39 3.419 15.052 -1.479 1.00 0.00 O ATOM 0 H ASP A 39 4.266 10.259 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 39 6.194 12.500 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.159 12.513 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.162 12.624 -0.477 1.00 0.00 H new ATOM 552 N GLY A 40 5.966 12.563 2.156 1.00 0.00 N ATOM 553 CA GLY A 40 5.832 12.767 3.588 1.00 0.00 C ATOM 554 C GLY A 40 5.455 11.463 4.295 1.00 0.00 C ATOM 555 O GLY A 40 5.984 10.402 3.969 1.00 0.00 O ATOM 0 H GLY A 40 6.920 12.637 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.769 13.147 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.071 13.523 3.782 1.00 0.00 H new ATOM 559 N GLU A 41 4.544 11.587 5.248 1.00 0.00 N ATOM 560 CA GLU A 41 4.090 10.431 6.004 1.00 0.00 C ATOM 561 C GLU A 41 3.044 9.652 5.204 1.00 0.00 C ATOM 562 O GLU A 41 2.935 8.434 5.338 1.00 0.00 O ATOM 563 CB GLU A 41 3.538 10.850 7.368 1.00 0.00 C ATOM 564 CG GLU A 41 3.979 9.875 8.461 1.00 0.00 C ATOM 565 CD GLU A 41 2.836 9.593 9.438 1.00 0.00 C ATOM 566 OE1 GLU A 41 1.730 9.286 8.944 1.00 0.00 O ATOM 567 OE2 GLU A 41 3.095 9.690 10.657 1.00 0.00 O ATOM 0 H GLU A 41 4.108 12.470 5.515 1.00 0.00 H new ATOM 0 HA GLU A 41 4.944 9.778 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.884 11.855 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.449 10.888 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.313 8.942 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.830 10.290 9.001 1.00 0.00 H new ATOM 574 N TRP A 42 2.300 10.387 4.390 1.00 0.00 N ATOM 575 CA TRP A 42 1.266 9.780 3.569 1.00 0.00 C ATOM 576 C TRP A 42 1.847 9.545 2.174 1.00 0.00 C ATOM 577 O TRP A 42 2.130 10.496 1.447 1.00 0.00 O ATOM 578 CB TRP A 42 0.002 10.642 3.553 1.00 0.00 C ATOM 579 CG TRP A 42 -0.822 10.563 4.839 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.436 10.863 6.087 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.198 10.142 4.954 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.457 10.667 6.994 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.563 10.215 6.283 1.00 0.00 C ATOM 584 CE3 TRP A 42 -3.104 9.715 3.968 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.840 9.876 6.747 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.376 9.379 4.448 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.759 9.447 5.782 1.00 0.00 C ATOM 0 H TRP A 42 2.393 11.397 4.282 1.00 0.00 H new ATOM 0 HA TRP A 42 0.958 8.820 3.984 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.285 11.680 3.378 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.623 10.336 2.714 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.551 11.214 6.350 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.409 10.825 8.001 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.840 9.651 2.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.102 9.942 7.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.111 9.044 3.731 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.761 9.170 6.073 1.00 0.00 H new ATOM 598 N TRP A 43 2.009 8.272 1.842 1.00 0.00 N ATOM 599 CA TRP A 43 2.552 7.900 0.546 1.00 0.00 C ATOM 600 C TRP A 43 1.379 7.583 -0.384 1.00 0.00 C ATOM 601 O TRP A 43 0.258 7.370 0.075 1.00 0.00 O ATOM 602 CB TRP A 43 3.540 6.740 0.679 1.00 0.00 C ATOM 603 CG TRP A 43 4.562 6.919 1.803 1.00 0.00 C ATOM 604 CD1 TRP A 43 5.112 8.058 2.245 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.137 5.874 2.617 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.996 7.825 3.279 1.00 0.00 N ATOM 607 CE2 TRP A 43 6.011 6.454 3.512 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.924 4.484 2.596 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.743 5.721 4.454 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.663 3.765 3.543 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.548 4.335 4.452 1.00 0.00 C ATOM 0 H TRP A 43 1.774 7.486 2.448 1.00 0.00 H new ATOM 0 HA TRP A 43 3.125 8.722 0.116 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.983 5.819 0.852 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.071 6.618 -0.265 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.891 9.036 1.843 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.538 8.529 3.780 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.244 4.009 1.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.421 6.199 5.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.537 2.693 3.570 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.082 3.711 5.153 1.00 0.00 H new ATOM 622 N THR A 44 1.679 7.562 -1.675 1.00 0.00 N ATOM 623 CA THR A 44 0.663 7.275 -2.674 1.00 0.00 C ATOM 624 C THR A 44 0.707 5.797 -3.069 1.00 0.00 C ATOM 625 O THR A 44 1.697 5.330 -3.631 1.00 0.00 O ATOM 626 CB THR A 44 0.878 8.225 -3.853 1.00 0.00 C ATOM 627 OG1 THR A 44 0.371 9.474 -3.389 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.012 7.884 -5.050 1.00 0.00 C ATOM 0 H THR A 44 2.610 7.739 -2.052 1.00 0.00 H new ATOM 0 HA THR A 44 -0.339 7.445 -2.280 1.00 0.00 H new ATOM 0 HB THR A 44 1.924 8.194 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.473 10.150 -4.092 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.180 8.589 -5.859 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.208 6.872 -5.390 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.059 7.948 -4.755 1.00 0.00 H new ATOM 636 N GLY A 45 -0.378 5.102 -2.760 1.00 0.00 N ATOM 637 CA GLY A 45 -0.476 3.688 -3.076 1.00 0.00 C ATOM 638 C GLY A 45 -1.353 3.460 -4.308 1.00 0.00 C ATOM 639 O GLY A 45 -2.038 4.375 -4.765 1.00 0.00 O ATOM 0 H GLY A 45 -1.197 5.493 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.520 3.282 -3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.892 3.150 -2.225 1.00 0.00 H new ATOM 643 N SER A 46 -1.305 2.236 -4.812 1.00 0.00 N ATOM 644 CA SER A 46 -2.087 1.877 -5.983 1.00 0.00 C ATOM 645 C SER A 46 -2.576 0.432 -5.862 1.00 0.00 C ATOM 646 O SER A 46 -1.920 -0.399 -5.236 1.00 0.00 O ATOM 647 CB SER A 46 -1.272 2.056 -7.265 1.00 0.00 C ATOM 648 OG SER A 46 -0.444 3.215 -7.215 1.00 0.00 O ATOM 0 H SER A 46 -0.736 1.480 -4.431 1.00 0.00 H new ATOM 0 HA SER A 46 -2.949 2.542 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.652 1.174 -7.426 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.948 2.130 -8.117 1.00 0.00 H new ATOM 0 HG SER A 46 0.061 3.293 -8.051 1.00 0.00 H new ATOM 654 N ILE A 47 -3.725 0.178 -6.472 1.00 0.00 N ATOM 655 CA ILE A 47 -4.310 -1.152 -6.440 1.00 0.00 C ATOM 656 C ILE A 47 -4.868 -1.492 -7.824 1.00 0.00 C ATOM 657 O ILE A 47 -5.859 -0.906 -8.259 1.00 0.00 O ATOM 658 CB ILE A 47 -5.344 -1.256 -5.318 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.682 -1.110 -3.947 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.148 -2.553 -5.431 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.732 -0.978 -2.842 1.00 0.00 C ATOM 0 H ILE A 47 -4.266 0.870 -6.991 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.549 -1.898 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.048 -0.431 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.049 -1.976 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.034 -0.234 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.876 -2.602 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.668 -2.576 -6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.473 -3.406 -5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.234 -0.876 -1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.347 -0.098 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.363 -1.866 -2.832 1.00 0.00 H new ATOM 673 N GLY A 48 -4.207 -2.436 -8.478 1.00 0.00 N ATOM 674 CA GLY A 48 -4.625 -2.860 -9.803 1.00 0.00 C ATOM 675 C GLY A 48 -4.436 -1.736 -10.824 1.00 0.00 C ATOM 676 O GLY A 48 -3.592 -1.835 -11.713 1.00 0.00 O ATOM 0 H GLY A 48 -3.385 -2.919 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.049 -3.734 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.672 -3.162 -9.779 1.00 0.00 H new ATOM 680 N ASP A 49 -5.236 -0.692 -10.662 1.00 0.00 N ATOM 681 CA ASP A 49 -5.168 0.449 -11.558 1.00 0.00 C ATOM 682 C ASP A 49 -5.757 1.677 -10.859 1.00 0.00 C ATOM 683 O ASP A 49 -6.256 2.589 -11.515 1.00 0.00 O ATOM 684 CB ASP A 49 -5.976 0.198 -12.832 1.00 0.00 C ATOM 685 CG ASP A 49 -5.190 -0.436 -13.981 1.00 0.00 C ATOM 686 OD1 ASP A 49 -3.963 -0.602 -13.807 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.833 -0.741 -15.009 1.00 0.00 O ATOM 0 H ASP A 49 -5.935 -0.613 -9.923 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.122 0.610 -11.820 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.819 -0.448 -12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.390 1.146 -13.175 1.00 0.00 H new ATOM 692 N ARG A 50 -5.678 1.659 -9.536 1.00 0.00 N ATOM 693 CA ARG A 50 -6.197 2.759 -8.741 1.00 0.00 C ATOM 694 C ARG A 50 -5.049 3.522 -8.077 1.00 0.00 C ATOM 695 O ARG A 50 -3.965 2.974 -7.883 1.00 0.00 O ATOM 696 CB ARG A 50 -7.157 2.254 -7.662 1.00 0.00 C ATOM 697 CG ARG A 50 -8.284 1.422 -8.276 1.00 0.00 C ATOM 698 CD ARG A 50 -9.312 1.024 -7.215 1.00 0.00 C ATOM 699 NE ARG A 50 -9.480 -0.446 -7.199 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.364 -1.093 -6.427 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.165 -0.403 -5.603 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.447 -2.429 -6.478 1.00 0.00 N ATOM 0 H ARG A 50 -5.263 0.900 -8.995 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.740 3.425 -9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.610 1.652 -6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.579 3.101 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.773 1.992 -9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.869 0.527 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.988 1.372 -6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.267 1.505 -7.424 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.886 -1.002 -7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.102 0.614 -5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.838 -0.895 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.837 -2.954 -7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.120 -2.921 -5.890 1.00 0.00 H new ATOM 716 N SER A 51 -5.326 4.775 -7.747 1.00 0.00 N ATOM 717 CA SER A 51 -4.330 5.619 -7.109 1.00 0.00 C ATOM 718 C SER A 51 -4.983 6.458 -6.009 1.00 0.00 C ATOM 719 O SER A 51 -6.205 6.585 -5.963 1.00 0.00 O ATOM 720 CB SER A 51 -3.640 6.525 -8.130 1.00 0.00 C ATOM 721 OG SER A 51 -3.254 7.773 -7.562 1.00 0.00 O ATOM 0 H SER A 51 -6.226 5.226 -7.910 1.00 0.00 H new ATOM 0 HA SER A 51 -3.571 4.976 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.759 6.019 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.312 6.701 -8.970 1.00 0.00 H new ATOM 0 HG SER A 51 -2.816 8.322 -8.245 1.00 0.00 H new ATOM 727 N GLY A 52 -4.138 7.011 -5.151 1.00 0.00 N ATOM 728 CA GLY A 52 -4.617 7.835 -4.055 1.00 0.00 C ATOM 729 C GLY A 52 -3.593 7.888 -2.920 1.00 0.00 C ATOM 730 O GLY A 52 -2.510 7.315 -3.029 1.00 0.00 O ATOM 0 H GLY A 52 -3.124 6.904 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.818 8.844 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.560 7.436 -3.681 1.00 0.00 H new ATOM 734 N ILE A 53 -3.971 8.581 -1.856 1.00 0.00 N ATOM 735 CA ILE A 53 -3.098 8.717 -0.702 1.00 0.00 C ATOM 736 C ILE A 53 -3.581 7.783 0.410 1.00 0.00 C ATOM 737 O ILE A 53 -4.744 7.381 0.426 1.00 0.00 O ATOM 738 CB ILE A 53 -2.999 10.182 -0.274 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.365 10.722 0.154 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.365 11.033 -1.376 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.212 11.906 1.111 1.00 0.00 C ATOM 0 H ILE A 53 -4.870 9.054 -1.769 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.082 8.414 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.344 10.241 0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.929 11.032 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.937 9.931 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.306 12.070 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.362 10.663 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.974 10.973 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.198 12.270 1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.669 11.587 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.660 12.705 0.616 1.00 0.00 H new ATOM 753 N PHE A 54 -2.664 7.464 1.311 1.00 0.00 N ATOM 754 CA PHE A 54 -2.982 6.585 2.424 1.00 0.00 C ATOM 755 C PHE A 54 -1.954 6.729 3.548 1.00 0.00 C ATOM 756 O PHE A 54 -0.859 7.245 3.330 1.00 0.00 O ATOM 757 CB PHE A 54 -2.938 5.152 1.889 1.00 0.00 C ATOM 758 CG PHE A 54 -1.525 4.638 1.605 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.752 4.178 2.625 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.042 4.640 0.334 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.560 3.700 2.362 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.269 4.163 0.071 1.00 0.00 C ATOM 763 CZ PHE A 54 1.042 3.703 1.091 1.00 0.00 C ATOM 0 H PHE A 54 -1.701 7.798 1.293 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.962 6.838 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.416 4.490 2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.524 5.099 0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.135 4.176 3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.656 5.005 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.174 3.334 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.652 4.165 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.039 3.340 0.891 1.00 0.00 H new ATOM 773 N PRO A 55 -2.354 6.251 4.757 1.00 0.00 N ATOM 774 CA PRO A 55 -1.480 6.322 5.915 1.00 0.00 C ATOM 775 C PRO A 55 -0.369 5.273 5.829 1.00 0.00 C ATOM 776 O PRO A 55 -0.642 4.074 5.821 1.00 0.00 O ATOM 777 CB PRO A 55 -2.396 6.120 7.112 1.00 0.00 C ATOM 778 CG PRO A 55 -3.663 5.484 6.564 1.00 0.00 C ATOM 779 CD PRO A 55 -3.643 5.634 5.052 1.00 0.00 C ATOM 0 HA PRO A 55 -0.955 7.274 5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.928 5.478 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.615 7.069 7.601 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.713 4.431 6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.545 5.967 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.742 4.668 4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.468 6.256 4.705 1.00 0.00 H new ATOM 787 N SER A 56 0.860 5.763 5.767 1.00 0.00 N ATOM 788 CA SER A 56 2.013 4.883 5.682 1.00 0.00 C ATOM 789 C SER A 56 2.181 4.112 6.992 1.00 0.00 C ATOM 790 O SER A 56 3.000 3.199 7.079 1.00 0.00 O ATOM 791 CB SER A 56 3.285 5.671 5.363 1.00 0.00 C ATOM 792 OG SER A 56 3.750 6.413 6.487 1.00 0.00 O ATOM 0 H SER A 56 1.083 6.758 5.774 1.00 0.00 H new ATOM 0 HA SER A 56 1.843 4.175 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.065 4.983 5.035 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.091 6.352 4.534 1.00 0.00 H new ATOM 0 HG SER A 56 3.804 7.363 6.252 1.00 0.00 H new ATOM 798 N ASN A 57 1.392 4.509 7.980 1.00 0.00 N ATOM 799 CA ASN A 57 1.443 3.866 9.283 1.00 0.00 C ATOM 800 C ASN A 57 0.408 2.741 9.333 1.00 0.00 C ATOM 801 O ASN A 57 0.298 2.038 10.336 1.00 0.00 O ATOM 802 CB ASN A 57 1.117 4.859 10.400 1.00 0.00 C ATOM 803 CG ASN A 57 -0.058 5.758 10.009 1.00 0.00 C ATOM 804 OD1 ASN A 57 -0.159 6.242 8.894 1.00 0.00 O ATOM 805 ND2 ASN A 57 -0.938 5.954 10.987 1.00 0.00 N ATOM 0 H ASN A 57 0.714 5.267 7.905 1.00 0.00 H new ATOM 0 HA ASN A 57 2.451 3.478 9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.876 4.317 11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.993 5.472 10.614 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.757 6.540 10.826 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.793 5.519 11.898 1.00 0.00 H new ATOM 812 N TYR A 58 -0.326 2.607 8.238 1.00 0.00 N ATOM 813 CA TYR A 58 -1.349 1.579 8.144 1.00 0.00 C ATOM 814 C TYR A 58 -0.947 0.495 7.142 1.00 0.00 C ATOM 815 O TYR A 58 -1.760 -0.355 6.782 1.00 0.00 O ATOM 816 CB TYR A 58 -2.609 2.284 7.636 1.00 0.00 C ATOM 817 CG TYR A 58 -3.411 2.990 8.731 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.768 3.805 9.640 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.777 2.810 8.810 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.523 4.470 10.671 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.532 3.475 9.840 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.868 4.272 10.720 1.00 0.00 C ATOM 823 OH TYR A 58 -5.581 4.899 11.693 1.00 0.00 O ATOM 0 H TYR A 58 -0.233 3.193 7.408 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.499 1.098 9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.324 3.015 6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.250 1.552 7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.699 3.944 9.579 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.280 2.171 8.099 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.033 5.111 11.389 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.602 3.344 9.912 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.529 4.666 11.605 1.00 0.00 H new ATOM 833 N VAL A 59 0.308 0.559 6.722 1.00 0.00 N ATOM 834 CA VAL A 59 0.828 -0.408 5.769 1.00 0.00 C ATOM 835 C VAL A 59 2.226 -0.848 6.207 1.00 0.00 C ATOM 836 O VAL A 59 2.964 -0.072 6.812 1.00 0.00 O ATOM 837 CB VAL A 59 0.802 0.183 4.358 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.586 0.729 4.017 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.872 1.266 4.197 1.00 0.00 C ATOM 0 H VAL A 59 0.980 1.265 7.024 1.00 0.00 H new ATOM 0 HA VAL A 59 0.199 -1.298 5.746 1.00 0.00 H new ATOM 0 HB VAL A 59 1.028 -0.619 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.576 1.143 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.318 -0.077 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.854 1.511 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.832 1.669 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.690 2.066 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.857 0.834 4.377 1.00 0.00 H new ATOM 849 N LYS A 60 2.548 -2.092 5.885 1.00 0.00 N ATOM 850 CA LYS A 60 3.844 -2.645 6.238 1.00 0.00 C ATOM 851 C LYS A 60 4.571 -3.083 4.965 1.00 0.00 C ATOM 852 O LYS A 60 3.941 -3.315 3.934 1.00 0.00 O ATOM 853 CB LYS A 60 3.686 -3.763 7.271 1.00 0.00 C ATOM 854 CG LYS A 60 3.313 -5.085 6.596 1.00 0.00 C ATOM 855 CD LYS A 60 2.773 -6.088 7.617 1.00 0.00 C ATOM 856 CE LYS A 60 3.575 -7.390 7.584 1.00 0.00 C ATOM 857 NZ LYS A 60 3.773 -7.912 8.954 1.00 0.00 N ATOM 0 H LYS A 60 1.933 -2.733 5.383 1.00 0.00 H new ATOM 0 HA LYS A 60 4.464 -1.886 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.616 -3.884 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.917 -3.490 7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.563 -4.905 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.188 -5.503 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.817 -5.655 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.724 -6.297 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.052 -8.131 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.542 -7.217 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.319 -8.796 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.291 -7.211 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.848 -8.097 9.392 1.00 0.00 H new ATOM 871 N PRO A 61 5.922 -3.185 5.080 1.00 0.00 N ATOM 872 CA PRO A 61 6.742 -3.590 3.951 1.00 0.00 C ATOM 873 C PRO A 61 6.616 -5.093 3.694 1.00 0.00 C ATOM 874 O PRO A 61 7.026 -5.905 4.521 1.00 0.00 O ATOM 875 CB PRO A 61 8.155 -3.167 4.318 1.00 0.00 C ATOM 876 CG PRO A 61 8.151 -2.963 5.825 1.00 0.00 C ATOM 877 CD PRO A 61 6.703 -2.918 6.285 1.00 0.00 C ATOM 0 HA PRO A 61 6.431 -3.123 3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.878 -3.929 4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.435 -2.249 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.684 -3.774 6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.664 -2.037 6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.509 -3.664 7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.453 -1.947 6.712 1.00 0.00 H new ATOM 885 N LYS A 62 6.046 -5.418 2.542 1.00 0.00 N ATOM 886 CA LYS A 62 5.861 -6.809 2.165 1.00 0.00 C ATOM 887 C LYS A 62 7.183 -7.560 2.337 1.00 0.00 C ATOM 888 O LYS A 62 8.036 -7.531 1.451 1.00 0.00 O ATOM 889 CB LYS A 62 5.275 -6.908 0.755 1.00 0.00 C ATOM 890 CG LYS A 62 4.256 -8.046 0.664 1.00 0.00 C ATOM 891 CD LYS A 62 3.381 -7.900 -0.583 1.00 0.00 C ATOM 892 CE LYS A 62 4.041 -8.557 -1.796 1.00 0.00 C ATOM 893 NZ LYS A 62 3.154 -8.473 -2.978 1.00 0.00 N ATOM 0 H LYS A 62 5.706 -4.742 1.858 1.00 0.00 H new ATOM 0 HA LYS A 62 5.135 -7.289 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.797 -5.965 0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.076 -7.074 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.776 -9.003 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.628 -8.049 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.407 -8.355 -0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.206 -6.844 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.990 -8.067 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.264 -9.601 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.730 -8.380 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.575 -9.335 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.532 -7.644 -2.887 1.00 0.00 H new