USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 667 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.886 USER MOD Single : A 20 SER OG : rot -63:sc= 0.186 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -4.52! (180deg=-4.96!) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0632) USER MOD Single : A 38 THR OG1 : rot -140:sc= -0.382 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -65:sc= 0.0641 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0054 (180deg=-0.344) USER MOD Single : A 45 THR OG1 : rot -21:sc= 0.587 USER MOD Single : A 46 SER OG : rot 180:sc= -0.349 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 56 SER OG : rot -29:sc= 0.178 USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= -4.3! (180deg=-6.94!) USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -0.0514 (180deg=-0.743) USER MOD Single : A 68 THR OG1 : rot 24:sc= 0.258 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 83:sc= 0.419 USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= -0.0019 (180deg=-0.174) USER MOD Single : A 85 LYS NZ :NH3+ 163:sc= -0.0632 (180deg=-0.639) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 7 -9.703 0.941 -8.289 1.00 0.00 N ATOM 84 CA ALA A 7 -8.560 0.029 -7.955 1.00 0.00 C ATOM 85 C ALA A 7 -8.803 -0.736 -6.645 1.00 0.00 C ATOM 86 O ALA A 7 -9.457 -1.761 -6.625 1.00 0.00 O ATOM 87 CB ALA A 7 -7.284 0.868 -7.826 1.00 0.00 C ATOM 0 HA ALA A 7 -8.462 -0.706 -8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.444 0.217 -7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.087 1.378 -8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.412 1.606 -7.034 1.00 0.00 H new ATOM 93 N LEU A 8 -8.270 -0.249 -5.555 1.00 0.00 N ATOM 94 CA LEU A 8 -8.456 -0.937 -4.244 1.00 0.00 C ATOM 95 C LEU A 8 -9.015 0.074 -3.237 1.00 0.00 C ATOM 96 O LEU A 8 -8.952 -0.121 -2.038 1.00 0.00 O ATOM 97 CB LEU A 8 -7.111 -1.502 -3.758 1.00 0.00 C ATOM 98 CG LEU A 8 -5.977 -0.516 -4.057 1.00 0.00 C ATOM 99 CD1 LEU A 8 -6.101 0.713 -3.152 1.00 0.00 C ATOM 100 CD2 LEU A 8 -4.633 -1.202 -3.800 1.00 0.00 C ATOM 0 H LEU A 8 -7.710 0.602 -5.517 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.155 -1.767 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.158 -1.698 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.911 -2.455 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.039 -0.200 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.291 1.409 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.058 1.202 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.042 0.404 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.822 -0.505 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.579 -1.517 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.540 -2.074 -4.448 1.00 0.00 H new ATOM 112 N LYS A 9 -9.549 1.162 -3.738 1.00 0.00 N ATOM 113 CA LYS A 9 -10.122 2.230 -2.860 1.00 0.00 C ATOM 114 C LYS A 9 -11.078 1.625 -1.822 1.00 0.00 C ATOM 115 O LYS A 9 -11.417 0.458 -1.872 1.00 0.00 O ATOM 116 CB LYS A 9 -10.891 3.226 -3.739 1.00 0.00 C ATOM 117 CG LYS A 9 -10.861 4.622 -3.105 1.00 0.00 C ATOM 118 CD LYS A 9 -11.557 5.621 -4.035 1.00 0.00 C ATOM 119 CE LYS A 9 -13.075 5.525 -3.851 1.00 0.00 C ATOM 120 NZ LYS A 9 -13.756 5.978 -5.096 1.00 0.00 N ATOM 0 H LYS A 9 -9.613 1.358 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.312 2.732 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.449 3.261 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.923 2.895 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.359 4.604 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.831 4.931 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.218 6.634 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.293 5.413 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.360 4.498 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.389 6.140 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.786 5.913 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.493 6.964 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.465 5.374 -5.891 1.00 0.00 H new ATOM 134 N GLY A 10 -11.526 2.428 -0.890 1.00 0.00 N ATOM 135 CA GLY A 10 -12.468 1.929 0.155 1.00 0.00 C ATOM 136 C GLY A 10 -11.677 1.355 1.332 1.00 0.00 C ATOM 137 O GLY A 10 -12.179 1.254 2.435 1.00 0.00 O ATOM 0 H GLY A 10 -11.277 3.414 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.110 2.741 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.120 1.163 -0.265 1.00 0.00 H new ATOM 141 N LEU A 11 -10.448 0.973 1.103 1.00 0.00 N ATOM 142 CA LEU A 11 -9.620 0.396 2.204 1.00 0.00 C ATOM 143 C LEU A 11 -8.451 1.328 2.519 1.00 0.00 C ATOM 144 O LEU A 11 -8.169 2.269 1.796 1.00 0.00 O ATOM 145 CB LEU A 11 -9.078 -0.970 1.773 1.00 0.00 C ATOM 146 CG LEU A 11 -10.224 -1.987 1.723 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.659 -2.202 0.271 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.751 -3.320 2.314 1.00 0.00 C ATOM 0 H LEU A 11 -9.980 1.036 0.199 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.239 0.282 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.605 -0.892 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.312 -1.305 2.472 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.067 -1.609 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.474 -2.925 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.997 -1.256 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.816 -2.578 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.566 -4.043 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.907 -3.695 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.443 -3.170 3.349 1.00 0.00 H new ATOM 160 N THR A 12 -7.769 1.063 3.599 1.00 0.00 N ATOM 161 CA THR A 12 -6.611 1.908 3.991 1.00 0.00 C ATOM 162 C THR A 12 -5.349 1.043 3.987 1.00 0.00 C ATOM 163 O THR A 12 -5.378 -0.113 4.364 1.00 0.00 O ATOM 164 CB THR A 12 -6.856 2.471 5.395 1.00 0.00 C ATOM 165 OG1 THR A 12 -7.847 3.487 5.325 1.00 0.00 O ATOM 166 CG2 THR A 12 -5.559 3.060 5.957 1.00 0.00 C ATOM 0 H THR A 12 -7.969 0.288 4.232 1.00 0.00 H new ATOM 0 HA THR A 12 -6.488 2.734 3.291 1.00 0.00 H new ATOM 0 HB THR A 12 -7.195 1.669 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.008 3.849 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.743 3.458 6.955 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.799 2.281 6.011 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.211 3.861 5.305 1.00 0.00 H new ATOM 174 N PHE A 13 -4.246 1.598 3.567 1.00 0.00 N ATOM 175 CA PHE A 13 -2.975 0.821 3.536 1.00 0.00 C ATOM 176 C PHE A 13 -2.007 1.436 4.551 1.00 0.00 C ATOM 177 O PHE A 13 -1.714 2.614 4.501 1.00 0.00 O ATOM 178 CB PHE A 13 -2.377 0.900 2.125 1.00 0.00 C ATOM 179 CG PHE A 13 -3.048 -0.114 1.216 1.00 0.00 C ATOM 180 CD1 PHE A 13 -4.438 -0.093 1.038 1.00 0.00 C ATOM 181 CD2 PHE A 13 -2.276 -1.074 0.548 1.00 0.00 C ATOM 182 CE1 PHE A 13 -5.052 -1.030 0.193 1.00 0.00 C ATOM 183 CE2 PHE A 13 -2.890 -2.011 -0.295 1.00 0.00 C ATOM 184 CZ PHE A 13 -4.280 -1.987 -0.471 1.00 0.00 C ATOM 0 H PHE A 13 -4.170 2.562 3.242 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.156 -0.224 3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.508 1.904 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.304 0.710 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.037 0.645 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.205 -1.092 0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.123 -1.012 0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.293 -2.750 -0.808 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.755 -2.708 -1.120 1.00 0.00 H new ATOM 194 N VAL A 14 -1.519 0.654 5.480 1.00 0.00 N ATOM 195 CA VAL A 14 -0.582 1.202 6.508 1.00 0.00 C ATOM 196 C VAL A 14 0.770 0.500 6.412 1.00 0.00 C ATOM 197 O VAL A 14 0.872 -0.631 5.984 1.00 0.00 O ATOM 198 CB VAL A 14 -1.166 0.985 7.914 1.00 0.00 C ATOM 199 CG1 VAL A 14 -0.574 2.006 8.884 1.00 0.00 C ATOM 200 CG2 VAL A 14 -2.689 1.150 7.875 1.00 0.00 C ATOM 0 H VAL A 14 -1.729 -0.340 5.571 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.449 2.269 6.327 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.917 -0.022 8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.991 1.848 9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.509 1.887 8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.817 3.013 8.545 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.097 0.995 8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.937 2.155 7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.117 0.418 7.190 1.00 0.00 H new ATOM 210 N ILE A 15 1.809 1.181 6.803 1.00 0.00 N ATOM 211 CA ILE A 15 3.175 0.590 6.747 1.00 0.00 C ATOM 212 C ILE A 15 3.791 0.671 8.140 1.00 0.00 C ATOM 213 O ILE A 15 3.657 1.672 8.817 1.00 0.00 O ATOM 214 CB ILE A 15 4.027 1.391 5.760 1.00 0.00 C ATOM 215 CG1 ILE A 15 3.487 2.828 5.672 1.00 0.00 C ATOM 216 CG2 ILE A 15 3.966 0.726 4.384 1.00 0.00 C ATOM 217 CD1 ILE A 15 4.268 3.618 4.623 1.00 0.00 C ATOM 0 H ILE A 15 1.770 2.134 7.164 1.00 0.00 H new ATOM 0 HA ILE A 15 3.129 -0.449 6.421 1.00 0.00 H new ATOM 0 HB ILE A 15 5.062 1.417 6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.428 2.812 5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.570 3.316 6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.572 1.294 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.350 -0.292 4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.933 0.701 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.878 4.634 4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.322 3.648 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.162 3.136 3.651 1.00 0.00 H new ATOM 229 N THR A 16 4.442 -0.370 8.594 1.00 0.00 N ATOM 230 CA THR A 16 5.031 -0.336 9.958 1.00 0.00 C ATOM 231 C THR A 16 6.097 0.746 10.023 1.00 0.00 C ATOM 232 O THR A 16 7.246 0.497 9.709 1.00 0.00 O ATOM 233 CB THR A 16 5.673 -1.691 10.239 1.00 0.00 C ATOM 234 OG1 THR A 16 4.668 -2.629 10.591 1.00 0.00 O ATOM 235 CG2 THR A 16 6.689 -1.566 11.376 1.00 0.00 C ATOM 0 H THR A 16 4.588 -1.237 8.078 1.00 0.00 H new ATOM 0 HA THR A 16 4.257 -0.123 10.695 1.00 0.00 H new ATOM 0 HB THR A 16 6.189 -2.034 9.343 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.081 -3.500 10.770 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.141 -2.539 11.568 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.465 -0.854 11.094 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.186 -1.215 12.277 1.00 0.00 H new ATOM 243 N GLY A 17 5.732 1.942 10.417 1.00 0.00 N ATOM 244 CA GLY A 17 6.739 3.036 10.480 1.00 0.00 C ATOM 245 C GLY A 17 7.697 2.858 9.310 1.00 0.00 C ATOM 246 O GLY A 17 8.896 3.008 9.446 1.00 0.00 O ATOM 0 H GLY A 17 4.786 2.203 10.695 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.250 4.009 10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.281 3.002 11.425 1.00 0.00 H new ATOM 250 N GLU A 18 7.159 2.528 8.158 1.00 0.00 N ATOM 251 CA GLU A 18 7.986 2.318 6.938 1.00 0.00 C ATOM 252 C GLU A 18 8.758 1.008 7.045 1.00 0.00 C ATOM 253 O GLU A 18 9.698 0.886 7.808 1.00 0.00 O ATOM 254 CB GLU A 18 8.959 3.488 6.724 1.00 0.00 C ATOM 255 CG GLU A 18 8.177 4.805 6.659 1.00 0.00 C ATOM 256 CD GLU A 18 8.494 5.655 7.893 1.00 0.00 C ATOM 257 OE1 GLU A 18 9.601 6.163 7.970 1.00 0.00 O ATOM 258 OE2 GLU A 18 7.624 5.785 8.739 1.00 0.00 O ATOM 0 H GLU A 18 6.158 2.394 8.016 1.00 0.00 H new ATOM 0 HA GLU A 18 7.317 2.269 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.684 3.524 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.521 3.342 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.439 5.351 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.107 4.602 6.610 1.00 0.00 H new ATOM 265 N LEU A 19 8.370 0.028 6.267 1.00 0.00 N ATOM 266 CA LEU A 19 9.083 -1.277 6.297 1.00 0.00 C ATOM 267 C LEU A 19 10.531 -1.030 5.843 1.00 0.00 C ATOM 268 O LEU A 19 10.889 0.081 5.500 1.00 0.00 O ATOM 269 CB LEU A 19 8.424 -2.270 5.324 1.00 0.00 C ATOM 270 CG LEU A 19 7.012 -2.645 5.804 1.00 0.00 C ATOM 271 CD1 LEU A 19 6.098 -1.417 5.781 1.00 0.00 C ATOM 272 CD2 LEU A 19 6.428 -3.718 4.877 1.00 0.00 C ATOM 0 H LEU A 19 7.589 0.080 5.613 1.00 0.00 H new ATOM 0 HA LEU A 19 9.047 -1.694 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.370 -1.830 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.036 -3.168 5.243 1.00 0.00 H new ATOM 0 HG LEU A 19 7.077 -3.024 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.102 -1.698 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.504 -0.649 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.036 -1.029 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.427 -3.985 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.376 -3.331 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.066 -4.602 4.896 1.00 0.00 H new ATOM 284 N SER A 20 11.365 -2.038 5.819 1.00 0.00 N ATOM 285 CA SER A 20 12.775 -1.821 5.362 1.00 0.00 C ATOM 286 C SER A 20 12.787 -1.639 3.836 1.00 0.00 C ATOM 287 O SER A 20 13.403 -2.396 3.110 1.00 0.00 O ATOM 288 CB SER A 20 13.631 -3.030 5.749 1.00 0.00 C ATOM 289 OG SER A 20 14.984 -2.785 5.383 1.00 0.00 O ATOM 0 H SER A 20 11.136 -2.994 6.093 1.00 0.00 H new ATOM 0 HA SER A 20 13.184 -0.929 5.837 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.560 -3.212 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.263 -3.926 5.248 1.00 0.00 H new ATOM 0 HG SER A 20 15.047 -2.686 4.410 1.00 0.00 H new ATOM 295 N ARG A 21 12.086 -0.645 3.353 1.00 0.00 N ATOM 296 CA ARG A 21 12.019 -0.406 1.877 1.00 0.00 C ATOM 297 C ARG A 21 11.654 1.059 1.598 1.00 0.00 C ATOM 298 O ARG A 21 11.352 1.808 2.508 1.00 0.00 O ATOM 299 CB ARG A 21 10.943 -1.322 1.285 1.00 0.00 C ATOM 300 CG ARG A 21 11.603 -2.499 0.562 1.00 0.00 C ATOM 301 CD ARG A 21 10.552 -3.247 -0.258 1.00 0.00 C ATOM 302 NE ARG A 21 11.217 -4.308 -1.068 1.00 0.00 N ATOM 303 CZ ARG A 21 11.206 -4.238 -2.372 1.00 0.00 C ATOM 304 NH1 ARG A 21 11.678 -3.180 -2.973 1.00 0.00 N ATOM 305 NH2 ARG A 21 10.723 -5.226 -3.074 1.00 0.00 N ATOM 0 H ARG A 21 11.554 0.015 3.920 1.00 0.00 H new ATOM 0 HA ARG A 21 12.988 -0.619 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.290 -1.690 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.317 -0.761 0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.400 -2.139 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.063 -3.173 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.808 -3.692 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.023 -2.553 -0.912 1.00 0.00 H new ATOM 0 HE ARG A 21 11.681 -5.089 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.056 -2.408 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.669 -3.126 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.354 -6.053 -2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.714 -5.172 -4.093 1.00 0.00 H new ATOM 319 N PRO A 22 11.668 1.463 0.342 1.00 0.00 N ATOM 320 CA PRO A 22 11.315 2.861 -0.063 1.00 0.00 C ATOM 321 C PRO A 22 9.821 3.157 0.135 1.00 0.00 C ATOM 322 O PRO A 22 9.215 3.886 -0.626 1.00 0.00 O ATOM 323 CB PRO A 22 11.698 2.923 -1.545 1.00 0.00 C ATOM 324 CG PRO A 22 11.640 1.511 -2.022 1.00 0.00 C ATOM 325 CD PRO A 22 12.024 0.638 -0.829 1.00 0.00 C ATOM 0 HA PRO A 22 11.833 3.606 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.009 3.556 -2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.695 3.343 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.641 1.262 -2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.325 1.354 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.480 -0.306 -0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.086 0.394 -0.838 1.00 0.00 H new ATOM 333 N ARG A 23 9.233 2.549 1.135 1.00 0.00 N ATOM 334 CA ARG A 23 7.772 2.716 1.427 1.00 0.00 C ATOM 335 C ARG A 23 7.312 4.180 1.313 1.00 0.00 C ATOM 336 O ARG A 23 6.130 4.453 1.338 1.00 0.00 O ATOM 337 CB ARG A 23 7.482 2.211 2.843 1.00 0.00 C ATOM 338 CG ARG A 23 7.888 0.737 2.962 1.00 0.00 C ATOM 339 CD ARG A 23 7.013 -0.123 2.043 1.00 0.00 C ATOM 340 NE ARG A 23 7.736 -0.375 0.764 1.00 0.00 N ATOM 341 CZ ARG A 23 7.138 -0.998 -0.216 1.00 0.00 C ATOM 342 NH1 ARG A 23 6.426 -2.066 0.025 1.00 0.00 N ATOM 343 NH2 ARG A 23 7.251 -0.552 -1.436 1.00 0.00 N ATOM 0 H ARG A 23 9.718 1.926 1.780 1.00 0.00 H new ATOM 0 HA ARG A 23 7.222 2.138 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.030 2.809 3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.422 2.325 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.938 0.618 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.782 0.404 3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.774 -1.068 2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.068 0.382 1.846 1.00 0.00 H new ATOM 0 HE ARG A 23 8.700 -0.060 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.336 -2.415 0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.960 -2.552 -0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.806 0.283 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.784 -1.038 -2.202 1.00 0.00 H new ATOM 357 N GLU A 24 8.207 5.118 1.145 1.00 0.00 N ATOM 358 CA GLU A 24 7.771 6.535 0.982 1.00 0.00 C ATOM 359 C GLU A 24 7.323 6.722 -0.472 1.00 0.00 C ATOM 360 O GLU A 24 6.280 7.279 -0.755 1.00 0.00 O ATOM 361 CB GLU A 24 8.943 7.473 1.289 1.00 0.00 C ATOM 362 CG GLU A 24 8.421 8.895 1.521 1.00 0.00 C ATOM 363 CD GLU A 24 9.596 9.876 1.540 1.00 0.00 C ATOM 364 OE1 GLU A 24 9.987 10.324 0.474 1.00 0.00 O ATOM 365 OE2 GLU A 24 10.087 10.163 2.620 1.00 0.00 O ATOM 0 H GLU A 24 9.215 4.965 1.114 1.00 0.00 H new ATOM 0 HA GLU A 24 6.953 6.766 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.479 7.124 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.653 7.466 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.718 9.168 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.877 8.944 2.465 1.00 0.00 H new ATOM 372 N GLU A 25 8.121 6.240 -1.389 1.00 0.00 N ATOM 373 CA GLU A 25 7.778 6.356 -2.837 1.00 0.00 C ATOM 374 C GLU A 25 6.469 5.605 -3.110 1.00 0.00 C ATOM 375 O GLU A 25 5.519 6.159 -3.636 1.00 0.00 O ATOM 376 CB GLU A 25 8.903 5.744 -3.678 1.00 0.00 C ATOM 377 CG GLU A 25 10.158 6.617 -3.575 1.00 0.00 C ATOM 378 CD GLU A 25 10.033 7.808 -4.529 1.00 0.00 C ATOM 379 OE1 GLU A 25 10.398 7.659 -5.684 1.00 0.00 O ATOM 380 OE2 GLU A 25 9.575 8.851 -4.089 1.00 0.00 O ATOM 0 H GLU A 25 9.003 5.767 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 25 7.658 7.407 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.121 4.734 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.589 5.663 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.285 6.969 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.043 6.031 -3.823 1.00 0.00 H new ATOM 387 N VAL A 26 6.410 4.347 -2.752 1.00 0.00 N ATOM 388 CA VAL A 26 5.164 3.559 -2.984 1.00 0.00 C ATOM 389 C VAL A 26 3.992 4.250 -2.283 1.00 0.00 C ATOM 390 O VAL A 26 2.872 4.209 -2.749 1.00 0.00 O ATOM 391 CB VAL A 26 5.339 2.137 -2.430 1.00 0.00 C ATOM 392 CG1 VAL A 26 5.202 2.150 -0.905 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.266 1.221 -3.029 1.00 0.00 C ATOM 0 H VAL A 26 7.171 3.833 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 26 4.963 3.500 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 26 6.329 1.768 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.327 1.138 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.966 2.799 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.215 2.523 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.389 0.212 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.278 1.596 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.367 1.203 -4.114 1.00 0.00 H new ATOM 403 N LYS A 27 4.247 4.890 -1.169 1.00 0.00 N ATOM 404 CA LYS A 27 3.152 5.590 -0.439 1.00 0.00 C ATOM 405 C LYS A 27 2.597 6.706 -1.321 1.00 0.00 C ATOM 406 O LYS A 27 1.423 7.021 -1.270 1.00 0.00 O ATOM 407 CB LYS A 27 3.695 6.182 0.864 1.00 0.00 C ATOM 408 CG LYS A 27 3.507 5.174 2.000 1.00 0.00 C ATOM 409 CD LYS A 27 2.036 5.154 2.435 1.00 0.00 C ATOM 410 CE LYS A 27 1.539 3.708 2.545 1.00 0.00 C ATOM 411 NZ LYS A 27 1.715 3.014 1.238 1.00 0.00 N ATOM 0 H LYS A 27 5.168 4.957 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 27 2.358 4.881 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.751 6.427 0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.175 7.111 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.813 4.181 1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.142 5.440 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.926 5.659 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.428 5.702 1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.091 3.182 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.488 3.696 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.198 2.111 1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.344 3.614 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.726 2.832 1.075 1.00 0.00 H new ATOM 425 N ALA A 28 3.425 7.290 -2.147 1.00 0.00 N ATOM 426 CA ALA A 28 2.937 8.366 -3.054 1.00 0.00 C ATOM 427 C ALA A 28 2.001 7.733 -4.082 1.00 0.00 C ATOM 428 O ALA A 28 1.018 8.318 -4.492 1.00 0.00 O ATOM 429 CB ALA A 28 4.126 9.017 -3.768 1.00 0.00 C ATOM 0 H ALA A 28 4.417 7.067 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 28 2.409 9.131 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.766 9.804 -4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.803 9.446 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.656 8.265 -4.352 1.00 0.00 H new ATOM 435 N LEU A 29 2.303 6.524 -4.486 1.00 0.00 N ATOM 436 CA LEU A 29 1.442 5.817 -5.473 1.00 0.00 C ATOM 437 C LEU A 29 0.286 5.134 -4.732 1.00 0.00 C ATOM 438 O LEU A 29 -0.755 4.861 -5.299 1.00 0.00 O ATOM 439 CB LEU A 29 2.281 4.765 -6.206 1.00 0.00 C ATOM 440 CG LEU A 29 2.532 5.214 -7.652 1.00 0.00 C ATOM 441 CD1 LEU A 29 3.481 6.416 -7.660 1.00 0.00 C ATOM 442 CD2 LEU A 29 3.163 4.062 -8.442 1.00 0.00 C ATOM 0 H LEU A 29 3.116 5.996 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 29 1.040 6.527 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.231 4.620 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.765 3.805 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 29 1.585 5.497 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.658 6.733 -8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.034 7.236 -7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.428 6.135 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.342 4.380 -9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.109 3.779 -7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.488 3.206 -8.439 1.00 0.00 H new ATOM 454 N LEU A 30 0.468 4.857 -3.464 1.00 0.00 N ATOM 455 CA LEU A 30 -0.606 4.193 -2.666 1.00 0.00 C ATOM 456 C LEU A 30 -1.740 5.190 -2.412 1.00 0.00 C ATOM 457 O LEU A 30 -2.897 4.907 -2.658 1.00 0.00 O ATOM 458 CB LEU A 30 -0.019 3.729 -1.324 1.00 0.00 C ATOM 459 CG LEU A 30 -0.745 2.473 -0.814 1.00 0.00 C ATOM 460 CD1 LEU A 30 -2.263 2.640 -0.954 1.00 0.00 C ATOM 461 CD2 LEU A 30 -0.287 1.253 -1.620 1.00 0.00 C ATOM 0 H LEU A 30 1.321 5.065 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.996 3.334 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.044 3.518 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.106 4.529 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.502 2.329 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.763 1.743 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.590 3.501 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.517 2.795 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.802 0.363 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.521 1.404 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.789 1.122 -1.503 1.00 0.00 H new ATOM 473 N ARG A 31 -1.414 6.360 -1.927 1.00 0.00 N ATOM 474 CA ARG A 31 -2.464 7.384 -1.659 1.00 0.00 C ATOM 475 C ARG A 31 -3.152 7.753 -2.974 1.00 0.00 C ATOM 476 O ARG A 31 -4.362 7.845 -3.050 1.00 0.00 O ATOM 477 CB ARG A 31 -1.813 8.632 -1.049 1.00 0.00 C ATOM 478 CG ARG A 31 -2.742 9.239 0.008 1.00 0.00 C ATOM 479 CD ARG A 31 -3.819 10.086 -0.677 1.00 0.00 C ATOM 480 NE ARG A 31 -4.417 11.024 0.315 1.00 0.00 N ATOM 481 CZ ARG A 31 -3.870 12.190 0.524 1.00 0.00 C ATOM 482 NH1 ARG A 31 -4.160 13.196 -0.255 1.00 0.00 N ATOM 483 NH2 ARG A 31 -3.030 12.348 1.510 1.00 0.00 N ATOM 0 H ARG A 31 -0.462 6.650 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.201 6.985 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.856 8.370 -0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.608 9.365 -1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.207 8.447 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.168 9.854 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.385 10.645 -1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.592 9.442 -1.096 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.255 10.754 0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.814 13.071 -1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.732 14.107 -0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.802 11.560 2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.602 13.259 1.674 1.00 0.00 H new ATOM 497 N ARG A 32 -2.381 7.952 -4.011 1.00 0.00 N ATOM 498 CA ARG A 32 -2.973 8.302 -5.334 1.00 0.00 C ATOM 499 C ARG A 32 -3.998 7.231 -5.717 1.00 0.00 C ATOM 500 O ARG A 32 -5.008 7.513 -6.333 1.00 0.00 O ATOM 501 CB ARG A 32 -1.867 8.357 -6.393 1.00 0.00 C ATOM 502 CG ARG A 32 -2.346 9.177 -7.596 1.00 0.00 C ATOM 503 CD ARG A 32 -2.041 10.659 -7.363 1.00 0.00 C ATOM 504 NE ARG A 32 -2.611 11.467 -8.479 1.00 0.00 N ATOM 505 CZ ARG A 32 -1.819 12.117 -9.287 1.00 0.00 C ATOM 506 NH1 ARG A 32 -0.909 11.475 -9.967 1.00 0.00 N ATOM 507 NH2 ARG A 32 -1.937 13.410 -9.414 1.00 0.00 N ATOM 0 H ARG A 32 -1.363 7.887 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.460 9.275 -5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.967 8.804 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.603 7.348 -6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.851 8.832 -8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.417 9.035 -7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.465 10.983 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.964 10.814 -7.301 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.621 11.512 -8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.816 10.464 -9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.290 11.984 -10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.648 13.912 -8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.318 13.919 -10.045 1.00 0.00 H new ATOM 521 N LEU A 33 -3.731 6.000 -5.362 1.00 0.00 N ATOM 522 CA LEU A 33 -4.665 4.885 -5.701 1.00 0.00 C ATOM 523 C LEU A 33 -5.986 5.024 -4.926 1.00 0.00 C ATOM 524 O LEU A 33 -6.755 4.086 -4.833 1.00 0.00 O ATOM 525 CB LEU A 33 -3.997 3.552 -5.342 1.00 0.00 C ATOM 526 CG LEU A 33 -4.419 2.467 -6.341 1.00 0.00 C ATOM 527 CD1 LEU A 33 -4.005 2.871 -7.761 1.00 0.00 C ATOM 528 CD2 LEU A 33 -3.738 1.147 -5.973 1.00 0.00 C ATOM 0 H LEU A 33 -2.897 5.718 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.888 4.921 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.913 3.665 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.277 3.256 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.502 2.349 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.309 2.095 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.489 3.811 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.923 2.995 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.036 0.374 -6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.656 1.274 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.036 0.852 -4.967 1.00 0.00 H new ATOM 540 N GLY A 34 -6.270 6.186 -4.392 1.00 0.00 N ATOM 541 CA GLY A 34 -7.552 6.383 -3.651 1.00 0.00 C ATOM 542 C GLY A 34 -7.449 5.834 -2.224 1.00 0.00 C ATOM 543 O GLY A 34 -7.924 6.447 -1.287 1.00 0.00 O ATOM 0 H GLY A 34 -5.667 7.008 -4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.799 7.444 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.363 5.882 -4.180 1.00 0.00 H new ATOM 547 N ALA A 35 -6.846 4.686 -2.048 1.00 0.00 N ATOM 548 CA ALA A 35 -6.731 4.100 -0.678 1.00 0.00 C ATOM 549 C ALA A 35 -6.029 5.087 0.256 1.00 0.00 C ATOM 550 O ALA A 35 -5.162 5.836 -0.152 1.00 0.00 O ATOM 551 CB ALA A 35 -5.922 2.802 -0.740 1.00 0.00 C ATOM 0 H ALA A 35 -6.428 4.129 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.731 3.892 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.839 2.377 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.424 2.091 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.925 3.013 -1.128 1.00 0.00 H new ATOM 557 N LYS A 36 -6.398 5.087 1.511 1.00 0.00 N ATOM 558 CA LYS A 36 -5.753 6.019 2.483 1.00 0.00 C ATOM 559 C LYS A 36 -4.405 5.436 2.911 1.00 0.00 C ATOM 560 O LYS A 36 -4.201 4.238 2.869 1.00 0.00 O ATOM 561 CB LYS A 36 -6.657 6.181 3.709 1.00 0.00 C ATOM 562 CG LYS A 36 -6.416 7.552 4.348 1.00 0.00 C ATOM 563 CD LYS A 36 -7.303 7.705 5.588 1.00 0.00 C ATOM 564 CE LYS A 36 -7.678 9.178 5.776 1.00 0.00 C ATOM 565 NZ LYS A 36 -6.449 9.972 6.060 1.00 0.00 N ATOM 0 H LYS A 36 -7.118 4.482 1.905 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.600 6.993 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.703 6.083 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.452 5.391 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.367 7.656 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.637 8.343 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.204 7.101 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.778 7.338 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.169 9.556 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.388 9.282 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.717 10.933 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.909 9.515 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.863 10.023 5.203 1.00 0.00 H new ATOM 579 N VAL A 37 -3.480 6.269 3.315 1.00 0.00 N ATOM 580 CA VAL A 37 -2.141 5.764 3.739 1.00 0.00 C ATOM 581 C VAL A 37 -1.845 6.246 5.161 1.00 0.00 C ATOM 582 O VAL A 37 -2.153 7.365 5.525 1.00 0.00 O ATOM 583 CB VAL A 37 -1.073 6.302 2.784 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.319 5.749 1.376 1.00 0.00 C ATOM 585 CG2 VAL A 37 -1.133 7.835 2.745 1.00 0.00 C ATOM 0 H VAL A 37 -3.596 7.281 3.369 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.135 4.674 3.716 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.090 5.988 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.558 6.133 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.270 4.660 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.305 6.060 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.370 8.212 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.117 8.152 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.954 8.232 3.744 1.00 0.00 H new ATOM 595 N THR A 38 -1.246 5.408 5.966 1.00 0.00 N ATOM 596 CA THR A 38 -0.921 5.808 7.367 1.00 0.00 C ATOM 597 C THR A 38 0.299 5.014 7.840 1.00 0.00 C ATOM 598 O THR A 38 1.005 4.421 7.046 1.00 0.00 O ATOM 599 CB THR A 38 -2.121 5.514 8.280 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.325 5.601 7.527 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.163 6.532 9.424 1.00 0.00 C ATOM 0 H THR A 38 -0.967 4.460 5.712 1.00 0.00 H new ATOM 0 HA THR A 38 -0.701 6.875 7.405 1.00 0.00 H new ATOM 0 HB THR A 38 -2.020 4.510 8.692 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.017 6.038 8.066 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.016 6.320 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.243 6.465 10.005 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.260 7.537 9.013 1.00 0.00 H new ATOM 609 N ASP A 39 0.557 4.989 9.123 1.00 0.00 N ATOM 610 CA ASP A 39 1.736 4.225 9.634 1.00 0.00 C ATOM 611 C ASP A 39 1.531 3.830 11.111 1.00 0.00 C ATOM 612 O ASP A 39 2.337 3.116 11.676 1.00 0.00 O ATOM 613 CB ASP A 39 2.992 5.093 9.514 1.00 0.00 C ATOM 614 CG ASP A 39 2.883 6.288 10.465 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.214 7.244 10.111 1.00 0.00 O ATOM 616 OD2 ASP A 39 3.469 6.223 11.534 1.00 0.00 O ATOM 0 H ASP A 39 0.004 5.463 9.837 1.00 0.00 H new ATOM 0 HA ASP A 39 1.848 3.318 9.041 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.877 4.504 9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.109 5.441 8.488 1.00 0.00 H new ATOM 621 N SER A 40 0.470 4.286 11.741 1.00 0.00 N ATOM 622 CA SER A 40 0.232 3.935 13.174 1.00 0.00 C ATOM 623 C SER A 40 -0.964 2.982 13.277 1.00 0.00 C ATOM 624 O SER A 40 -1.386 2.398 12.297 1.00 0.00 O ATOM 625 CB SER A 40 -0.060 5.212 13.965 1.00 0.00 C ATOM 626 OG SER A 40 0.950 6.175 13.692 1.00 0.00 O ATOM 0 H SER A 40 -0.239 4.886 11.321 1.00 0.00 H new ATOM 0 HA SER A 40 1.117 3.447 13.583 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.039 5.607 13.692 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.091 4.993 15.032 1.00 0.00 H new ATOM 0 HG SER A 40 0.765 6.995 14.196 1.00 0.00 H new ATOM 632 N VAL A 41 -1.508 2.815 14.457 1.00 0.00 N ATOM 633 CA VAL A 41 -2.673 1.895 14.627 1.00 0.00 C ATOM 634 C VAL A 41 -3.668 2.486 15.631 1.00 0.00 C ATOM 635 O VAL A 41 -3.307 2.870 16.727 1.00 0.00 O ATOM 636 CB VAL A 41 -2.181 0.534 15.137 1.00 0.00 C ATOM 637 CG1 VAL A 41 -1.394 -0.175 14.032 1.00 0.00 C ATOM 638 CG2 VAL A 41 -1.276 0.733 16.360 1.00 0.00 C ATOM 0 H VAL A 41 -1.195 3.277 15.311 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.169 1.769 13.665 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.041 -0.074 15.419 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.045 -1.141 14.396 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.038 -0.325 13.165 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.537 0.435 13.746 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.930 -0.237 16.718 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.418 1.345 16.082 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.837 1.232 17.150 1.00 0.00 H new ATOM 648 N SER A 42 -4.922 2.558 15.260 1.00 0.00 N ATOM 649 CA SER A 42 -5.957 3.116 16.176 1.00 0.00 C ATOM 650 C SER A 42 -7.232 2.295 15.997 1.00 0.00 C ATOM 651 O SER A 42 -8.279 2.810 15.652 1.00 0.00 O ATOM 652 CB SER A 42 -6.224 4.582 15.824 1.00 0.00 C ATOM 653 OG SER A 42 -7.067 5.157 16.813 1.00 0.00 O ATOM 0 H SER A 42 -5.273 2.251 14.353 1.00 0.00 H new ATOM 0 HA SER A 42 -5.618 3.067 17.211 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.284 5.131 15.767 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.694 4.653 14.843 1.00 0.00 H new ATOM 0 HG SER A 42 -7.944 4.720 16.790 1.00 0.00 H new ATOM 659 N ARG A 43 -7.133 1.017 16.256 1.00 0.00 N ATOM 660 CA ARG A 43 -8.299 0.093 16.135 1.00 0.00 C ATOM 661 C ARG A 43 -9.105 0.367 14.856 1.00 0.00 C ATOM 662 O ARG A 43 -10.217 -0.101 14.710 1.00 0.00 O ATOM 663 CB ARG A 43 -9.204 0.253 17.362 1.00 0.00 C ATOM 664 CG ARG A 43 -8.476 -0.270 18.605 1.00 0.00 C ATOM 665 CD ARG A 43 -9.366 -0.092 19.838 1.00 0.00 C ATOM 666 NE ARG A 43 -8.651 -0.601 21.044 1.00 0.00 N ATOM 667 CZ ARG A 43 -7.780 0.156 21.655 1.00 0.00 C ATOM 668 NH1 ARG A 43 -8.169 0.971 22.596 1.00 0.00 N ATOM 669 NH2 ARG A 43 -6.519 0.095 21.327 1.00 0.00 N ATOM 0 H ARG A 43 -6.269 0.564 16.554 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.921 -0.928 16.080 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.470 1.301 17.497 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.135 -0.295 17.215 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.225 -1.323 18.475 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.537 0.267 18.741 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.619 0.960 19.969 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.304 -0.631 19.704 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.842 -1.541 21.392 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.154 1.017 22.855 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.488 1.562 23.073 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.213 -0.544 20.593 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.839 0.686 21.804 1.00 0.00 H new ATOM 683 N LYS A 44 -8.561 1.118 13.931 1.00 0.00 N ATOM 684 CA LYS A 44 -9.308 1.416 12.671 1.00 0.00 C ATOM 685 C LYS A 44 -8.324 1.597 11.508 1.00 0.00 C ATOM 686 O LYS A 44 -8.715 1.925 10.404 1.00 0.00 O ATOM 687 CB LYS A 44 -10.119 2.704 12.849 1.00 0.00 C ATOM 688 CG LYS A 44 -11.245 2.477 13.864 1.00 0.00 C ATOM 689 CD LYS A 44 -12.238 3.641 13.801 1.00 0.00 C ATOM 690 CE LYS A 44 -13.213 3.549 14.980 1.00 0.00 C ATOM 691 NZ LYS A 44 -13.938 2.248 14.927 1.00 0.00 N ATOM 0 H LYS A 44 -7.633 1.537 13.994 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.978 0.585 12.451 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.468 3.509 13.189 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.538 3.015 11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.756 1.538 13.651 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.831 2.393 14.869 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.703 4.590 13.831 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.786 3.614 12.859 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.671 3.637 15.921 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.923 4.375 14.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.764 2.285 15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.254 2.066 13.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.303 1.484 15.233 1.00 0.00 H new ATOM 705 N THR A 45 -7.054 1.389 11.744 1.00 0.00 N ATOM 706 CA THR A 45 -6.046 1.553 10.657 1.00 0.00 C ATOM 707 C THR A 45 -4.815 0.705 10.991 1.00 0.00 C ATOM 708 O THR A 45 -3.833 1.196 11.512 1.00 0.00 O ATOM 709 CB THR A 45 -5.645 3.033 10.557 1.00 0.00 C ATOM 710 OG1 THR A 45 -6.807 3.825 10.354 1.00 0.00 O ATOM 711 CG2 THR A 45 -4.683 3.232 9.384 1.00 0.00 C ATOM 0 H THR A 45 -6.671 1.111 12.648 1.00 0.00 H new ATOM 0 HA THR A 45 -6.466 1.229 9.705 1.00 0.00 H new ATOM 0 HB THR A 45 -5.152 3.335 11.481 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.524 3.266 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.402 4.283 9.318 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.790 2.627 9.539 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.171 2.928 8.458 1.00 0.00 H new ATOM 719 N SER A 46 -4.865 -0.571 10.704 1.00 0.00 N ATOM 720 CA SER A 46 -3.703 -1.453 11.015 1.00 0.00 C ATOM 721 C SER A 46 -3.485 -2.455 9.878 1.00 0.00 C ATOM 722 O SER A 46 -3.360 -3.639 10.101 1.00 0.00 O ATOM 723 CB SER A 46 -3.973 -2.205 12.319 1.00 0.00 C ATOM 724 OG SER A 46 -4.206 -1.270 13.365 1.00 0.00 O ATOM 0 H SER A 46 -5.660 -1.038 10.268 1.00 0.00 H new ATOM 0 HA SER A 46 -2.807 -0.842 11.123 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.837 -2.859 12.202 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.123 -2.841 12.567 1.00 0.00 H new ATOM 0 HG SER A 46 -4.381 -1.751 14.201 1.00 0.00 H new ATOM 730 N TYR A 47 -3.410 -1.976 8.667 1.00 0.00 N ATOM 731 CA TYR A 47 -3.171 -2.869 7.498 1.00 0.00 C ATOM 732 C TYR A 47 -1.704 -2.731 7.105 1.00 0.00 C ATOM 733 O TYR A 47 -1.210 -1.639 6.937 1.00 0.00 O ATOM 734 CB TYR A 47 -4.061 -2.436 6.330 1.00 0.00 C ATOM 735 CG TYR A 47 -5.506 -2.434 6.771 1.00 0.00 C ATOM 736 CD1 TYR A 47 -6.273 -3.601 6.663 1.00 0.00 C ATOM 737 CD2 TYR A 47 -6.079 -1.267 7.291 1.00 0.00 C ATOM 738 CE1 TYR A 47 -7.610 -3.600 7.074 1.00 0.00 C ATOM 739 CE2 TYR A 47 -7.416 -1.266 7.701 1.00 0.00 C ATOM 740 CZ TYR A 47 -8.183 -2.432 7.593 1.00 0.00 C ATOM 741 OH TYR A 47 -9.502 -2.431 7.996 1.00 0.00 O ATOM 0 H TYR A 47 -3.506 -0.987 8.434 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.405 -3.903 7.749 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.773 -1.442 5.988 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.928 -3.114 5.487 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.832 -4.502 6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.488 -0.367 7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.201 -4.500 6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.857 -0.365 8.101 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.741 -1.542 8.332 1.00 0.00 H new ATOM 751 N LEU A 48 -1.001 -3.815 6.965 1.00 0.00 N ATOM 752 CA LEU A 48 0.440 -3.721 6.601 1.00 0.00 C ATOM 753 C LEU A 48 0.642 -4.111 5.145 1.00 0.00 C ATOM 754 O LEU A 48 0.451 -5.252 4.770 1.00 0.00 O ATOM 755 CB LEU A 48 1.249 -4.672 7.480 1.00 0.00 C ATOM 756 CG LEU A 48 2.721 -4.656 7.049 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.352 -3.312 7.421 1.00 0.00 C ATOM 758 CD2 LEU A 48 3.461 -5.787 7.762 1.00 0.00 C ATOM 0 H LEU A 48 -1.359 -4.762 7.086 1.00 0.00 H new ATOM 0 HA LEU A 48 0.772 -2.694 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.164 -4.376 8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.849 -5.683 7.401 1.00 0.00 H new ATOM 0 HG LEU A 48 2.790 -4.795 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.398 -3.304 7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.819 -2.507 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.290 -3.167 8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.509 -5.783 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.393 -5.644 8.840 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.010 -6.743 7.494 1.00 0.00 H new ATOM 770 N VAL A 49 1.058 -3.183 4.328 1.00 0.00 N ATOM 771 CA VAL A 49 1.311 -3.514 2.903 1.00 0.00 C ATOM 772 C VAL A 49 2.674 -4.193 2.821 1.00 0.00 C ATOM 773 O VAL A 49 3.692 -3.579 3.080 1.00 0.00 O ATOM 774 CB VAL A 49 1.328 -2.238 2.052 1.00 0.00 C ATOM 775 CG1 VAL A 49 0.807 -2.558 0.650 1.00 0.00 C ATOM 776 CG2 VAL A 49 0.442 -1.167 2.695 1.00 0.00 C ATOM 0 H VAL A 49 1.233 -2.212 4.588 1.00 0.00 H new ATOM 0 HA VAL A 49 0.524 -4.167 2.527 1.00 0.00 H new ATOM 0 HB VAL A 49 2.349 -1.863 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.818 -1.653 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.444 -3.312 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.213 -2.937 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.460 -0.265 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.581 -1.536 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.815 -0.937 3.693 1.00 0.00 H new ATOM 786 N VAL A 50 2.708 -5.459 2.499 1.00 0.00 N ATOM 787 CA VAL A 50 4.016 -6.180 2.437 1.00 0.00 C ATOM 788 C VAL A 50 4.991 -5.399 1.548 1.00 0.00 C ATOM 789 O VAL A 50 4.607 -4.498 0.829 1.00 0.00 O ATOM 790 CB VAL A 50 3.791 -7.587 1.863 1.00 0.00 C ATOM 791 CG1 VAL A 50 5.128 -8.319 1.720 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.879 -8.380 2.806 1.00 0.00 C ATOM 0 H VAL A 50 1.889 -6.025 2.276 1.00 0.00 H new ATOM 0 HA VAL A 50 4.439 -6.263 3.438 1.00 0.00 H new ATOM 0 HB VAL A 50 3.325 -7.500 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.956 -9.315 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.779 -7.760 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.603 -8.404 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.718 -9.379 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.349 -8.457 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.921 -7.868 2.902 1.00 0.00 H new ATOM 802 N GLY A 51 6.250 -5.735 1.594 1.00 0.00 N ATOM 803 CA GLY A 51 7.238 -5.006 0.748 1.00 0.00 C ATOM 804 C GLY A 51 8.531 -5.811 0.624 1.00 0.00 C ATOM 805 O GLY A 51 9.100 -5.920 -0.445 1.00 0.00 O ATOM 0 H GLY A 51 6.637 -6.478 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.817 -4.827 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.450 -4.030 1.185 1.00 0.00 H new ATOM 809 N GLU A 52 9.013 -6.354 1.708 1.00 0.00 N ATOM 810 CA GLU A 52 10.287 -7.127 1.654 1.00 0.00 C ATOM 811 C GLU A 52 10.195 -8.358 2.566 1.00 0.00 C ATOM 812 O GLU A 52 9.138 -8.928 2.752 1.00 0.00 O ATOM 813 CB GLU A 52 11.431 -6.210 2.111 1.00 0.00 C ATOM 814 CG GLU A 52 11.265 -5.854 3.591 1.00 0.00 C ATOM 815 CD GLU A 52 10.250 -4.722 3.725 1.00 0.00 C ATOM 816 OE1 GLU A 52 10.641 -3.581 3.553 1.00 0.00 O ATOM 817 OE2 GLU A 52 9.100 -5.017 3.993 1.00 0.00 O ATOM 0 H GLU A 52 8.580 -6.296 2.630 1.00 0.00 H new ATOM 0 HA GLU A 52 10.473 -7.471 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.389 -6.706 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.440 -5.301 1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.930 -6.727 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.223 -5.551 4.014 1.00 0.00 H new ATOM 824 N ASN A 53 11.302 -8.759 3.138 1.00 0.00 N ATOM 825 CA ASN A 53 11.302 -9.942 4.049 1.00 0.00 C ATOM 826 C ASN A 53 11.773 -9.510 5.443 1.00 0.00 C ATOM 827 O ASN A 53 11.018 -9.566 6.394 1.00 0.00 O ATOM 828 CB ASN A 53 12.223 -11.033 3.488 1.00 0.00 C ATOM 829 CG ASN A 53 11.382 -12.108 2.792 1.00 0.00 C ATOM 830 OD1 ASN A 53 10.476 -11.798 2.043 1.00 0.00 O ATOM 831 ND2 ASN A 53 11.645 -13.368 3.009 1.00 0.00 N ATOM 0 H ASN A 53 12.211 -8.314 3.012 1.00 0.00 H new ATOM 0 HA ASN A 53 10.292 -10.346 4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.931 -10.598 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.808 -11.479 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.091 -14.091 2.550 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.405 -13.630 3.637 1.00 0.00 H new ATOM 838 N PRO A 54 13.006 -9.065 5.572 1.00 0.00 N ATOM 839 CA PRO A 54 13.556 -8.606 6.881 1.00 0.00 C ATOM 840 C PRO A 54 12.992 -7.240 7.283 1.00 0.00 C ATOM 841 O PRO A 54 13.442 -6.623 8.229 1.00 0.00 O ATOM 842 CB PRO A 54 15.063 -8.508 6.633 1.00 0.00 C ATOM 843 CG PRO A 54 15.210 -8.288 5.165 1.00 0.00 C ATOM 844 CD PRO A 54 14.007 -8.954 4.493 1.00 0.00 C ATOM 0 HA PRO A 54 13.297 -9.284 7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.502 -7.686 7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.573 -9.419 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.240 -7.223 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.143 -8.719 4.801 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.633 -8.355 3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.267 -9.932 4.089 1.00 0.00 H new ATOM 852 N GLY A 55 12.009 -6.767 6.560 1.00 0.00 N ATOM 853 CA GLY A 55 11.402 -5.442 6.875 1.00 0.00 C ATOM 854 C GLY A 55 10.842 -5.445 8.297 1.00 0.00 C ATOM 855 O GLY A 55 10.554 -6.483 8.859 1.00 0.00 O ATOM 0 H GLY A 55 11.599 -7.247 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.151 -4.657 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.607 -5.219 6.163 1.00 0.00 H new ATOM 859 N SER A 56 10.673 -4.282 8.876 1.00 0.00 N ATOM 860 CA SER A 56 10.113 -4.205 10.258 1.00 0.00 C ATOM 861 C SER A 56 8.688 -4.764 10.242 1.00 0.00 C ATOM 862 O SER A 56 8.055 -4.920 11.270 1.00 0.00 O ATOM 863 CB SER A 56 10.094 -2.745 10.718 1.00 0.00 C ATOM 864 OG SER A 56 9.572 -2.674 12.039 1.00 0.00 O ATOM 0 H SER A 56 10.899 -3.383 8.450 1.00 0.00 H new ATOM 0 HA SER A 56 10.728 -4.786 10.946 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.102 -2.330 10.690 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.484 -2.147 10.041 1.00 0.00 H new ATOM 0 HG SER A 56 8.942 -3.411 12.182 1.00 0.00 H new ATOM 870 N LYS A 57 8.188 -5.068 9.071 1.00 0.00 N ATOM 871 CA LYS A 57 6.812 -5.626 8.941 1.00 0.00 C ATOM 872 C LYS A 57 6.649 -6.845 9.850 1.00 0.00 C ATOM 873 O LYS A 57 5.554 -7.189 10.239 1.00 0.00 O ATOM 874 CB LYS A 57 6.577 -6.055 7.488 1.00 0.00 C ATOM 875 CG LYS A 57 7.841 -6.717 6.922 1.00 0.00 C ATOM 876 CD LYS A 57 7.484 -8.074 6.306 1.00 0.00 C ATOM 877 CE LYS A 57 6.625 -7.867 5.056 1.00 0.00 C ATOM 878 NZ LYS A 57 7.419 -7.149 4.021 1.00 0.00 N ATOM 0 H LYS A 57 8.684 -4.950 8.188 1.00 0.00 H new ATOM 0 HA LYS A 57 6.091 -4.862 9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.739 -6.750 7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.309 -5.188 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.294 -6.073 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.579 -6.849 7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.393 -8.617 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.945 -8.683 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.289 -8.829 4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.732 -7.295 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.865 -6.351 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.299 -6.792 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.649 -7.802 3.245 1.00 0.00 H new ATOM 892 N LEU A 58 7.731 -7.501 10.185 1.00 0.00 N ATOM 893 CA LEU A 58 7.647 -8.705 11.066 1.00 0.00 C ATOM 894 C LEU A 58 6.720 -8.430 12.253 1.00 0.00 C ATOM 895 O LEU A 58 6.123 -9.329 12.807 1.00 0.00 O ATOM 896 CB LEU A 58 9.046 -9.050 11.590 1.00 0.00 C ATOM 897 CG LEU A 58 9.613 -7.873 12.397 1.00 0.00 C ATOM 898 CD1 LEU A 58 9.494 -8.169 13.895 1.00 0.00 C ATOM 899 CD2 LEU A 58 11.090 -7.671 12.038 1.00 0.00 C ATOM 0 H LEU A 58 8.674 -7.253 9.885 1.00 0.00 H new ATOM 0 HA LEU A 58 7.249 -9.539 10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.999 -9.941 12.216 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.708 -9.282 10.756 1.00 0.00 H new ATOM 0 HG LEU A 58 9.050 -6.970 12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.897 -7.332 14.464 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.445 -8.313 14.155 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.055 -9.073 14.133 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.493 -6.836 12.611 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.649 -8.576 12.275 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.180 -7.457 10.973 1.00 0.00 H new ATOM 911 N GLU A 59 6.599 -7.192 12.639 1.00 0.00 N ATOM 912 CA GLU A 59 5.719 -6.844 13.789 1.00 0.00 C ATOM 913 C GLU A 59 4.262 -6.754 13.338 1.00 0.00 C ATOM 914 O GLU A 59 3.429 -7.521 13.781 1.00 0.00 O ATOM 915 CB GLU A 59 6.173 -5.506 14.373 1.00 0.00 C ATOM 916 CG GLU A 59 5.239 -5.093 15.515 1.00 0.00 C ATOM 917 CD GLU A 59 5.924 -4.030 16.377 1.00 0.00 C ATOM 918 OE1 GLU A 59 5.885 -2.871 15.997 1.00 0.00 O ATOM 919 OE2 GLU A 59 6.477 -4.394 17.402 1.00 0.00 O ATOM 0 H GLU A 59 7.075 -6.401 12.205 1.00 0.00 H new ATOM 0 HA GLU A 59 5.792 -7.621 14.550 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.196 -5.588 14.740 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.173 -4.741 13.596 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.305 -4.702 15.111 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.985 -5.961 16.123 1.00 0.00 H new ATOM 926 N LYS A 60 3.933 -5.831 12.471 1.00 0.00 N ATOM 927 CA LYS A 60 2.515 -5.729 12.030 1.00 0.00 C ATOM 928 C LYS A 60 2.158 -6.947 11.183 1.00 0.00 C ATOM 929 O LYS A 60 1.054 -7.449 11.246 1.00 0.00 O ATOM 930 CB LYS A 60 2.306 -4.452 11.215 1.00 0.00 C ATOM 931 CG LYS A 60 0.828 -4.044 11.279 1.00 0.00 C ATOM 932 CD LYS A 60 0.610 -3.077 12.448 1.00 0.00 C ATOM 933 CE LYS A 60 1.037 -1.665 12.037 1.00 0.00 C ATOM 934 NZ LYS A 60 1.641 -0.970 13.208 1.00 0.00 N ATOM 0 H LYS A 60 4.575 -5.155 12.057 1.00 0.00 H new ATOM 0 HA LYS A 60 1.870 -5.694 12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.933 -3.651 11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.605 -4.615 10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.530 -3.571 10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.202 -4.927 11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.439 -3.079 12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.185 -3.403 13.315 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.756 -1.714 11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.176 -1.105 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.605 0.058 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.109 -1.213 14.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.631 -1.269 13.317 1.00 0.00 H new ATOM 948 N ALA A 61 3.085 -7.432 10.396 1.00 0.00 N ATOM 949 CA ALA A 61 2.794 -8.623 9.551 1.00 0.00 C ATOM 950 C ALA A 61 2.436 -9.804 10.451 1.00 0.00 C ATOM 951 O ALA A 61 1.476 -10.504 10.194 1.00 0.00 O ATOM 952 CB ALA A 61 4.005 -8.972 8.692 1.00 0.00 C ATOM 0 H ALA A 61 4.028 -7.054 10.304 1.00 0.00 H new ATOM 0 HA ALA A 61 1.955 -8.398 8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.777 -9.845 8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.248 -8.129 8.046 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.856 -9.193 9.336 1.00 0.00 H new ATOM 958 N ARG A 62 3.168 -10.027 11.521 1.00 0.00 N ATOM 959 CA ARG A 62 2.803 -11.154 12.426 1.00 0.00 C ATOM 960 C ARG A 62 1.375 -10.905 12.890 1.00 0.00 C ATOM 961 O ARG A 62 0.566 -11.808 12.963 1.00 0.00 O ATOM 962 CB ARG A 62 3.743 -11.190 13.638 1.00 0.00 C ATOM 963 CG ARG A 62 4.647 -12.426 13.554 1.00 0.00 C ATOM 964 CD ARG A 62 5.741 -12.200 12.506 1.00 0.00 C ATOM 965 NE ARG A 62 6.138 -13.507 11.911 1.00 0.00 N ATOM 966 CZ ARG A 62 5.752 -13.820 10.702 1.00 0.00 C ATOM 967 NH1 ARG A 62 6.070 -13.052 9.696 1.00 0.00 N ATOM 968 NH2 ARG A 62 5.052 -14.903 10.501 1.00 0.00 N ATOM 0 H ARG A 62 3.987 -9.485 11.798 1.00 0.00 H new ATOM 0 HA ARG A 62 2.889 -12.108 11.907 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.350 -10.285 13.667 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.162 -11.214 14.560 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.098 -12.625 14.526 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.055 -13.303 13.292 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.380 -11.529 11.727 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.605 -11.720 12.965 1.00 0.00 H new ATOM 0 HE ARG A 62 6.711 -14.158 12.447 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.620 -12.207 9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.769 -13.296 8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.806 -15.505 11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.751 -15.148 9.558 1.00 0.00 H new ATOM 982 N ALA A 63 1.060 -9.657 13.142 1.00 0.00 N ATOM 983 CA ALA A 63 -0.326 -9.267 13.543 1.00 0.00 C ATOM 984 C ALA A 63 -0.967 -10.298 14.477 1.00 0.00 C ATOM 985 O ALA A 63 -1.654 -11.204 14.041 1.00 0.00 O ATOM 986 CB ALA A 63 -1.175 -9.131 12.277 1.00 0.00 C ATOM 0 H ALA A 63 1.718 -8.880 13.085 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.275 -8.323 14.086 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.191 -8.847 12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.745 -8.366 11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.194 -10.084 11.748 1.00 0.00 H new ATOM 992 N LEU A 64 -0.777 -10.153 15.758 1.00 0.00 N ATOM 993 CA LEU A 64 -1.405 -11.109 16.713 1.00 0.00 C ATOM 994 C LEU A 64 -2.838 -10.644 17.003 1.00 0.00 C ATOM 995 O LEU A 64 -3.379 -10.892 18.063 1.00 0.00 O ATOM 996 CB LEU A 64 -0.593 -11.143 18.014 1.00 0.00 C ATOM 997 CG LEU A 64 -0.414 -9.718 18.558 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.740 -9.692 20.054 1.00 0.00 C ATOM 999 CD2 LEU A 64 1.035 -9.267 18.344 1.00 0.00 C ATOM 0 H LEU A 64 -0.216 -9.416 16.185 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.423 -12.110 16.283 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.101 -11.762 18.753 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.381 -11.597 17.833 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.088 -9.044 18.030 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.612 -8.679 20.437 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.771 -10.010 20.207 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.069 -10.368 20.584 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.162 -8.256 18.730 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.708 -9.944 18.870 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.267 -9.281 17.279 1.00 0.00 H new ATOM 1011 N GLY A 65 -3.458 -9.971 16.060 1.00 0.00 N ATOM 1012 CA GLY A 65 -4.850 -9.488 16.269 1.00 0.00 C ATOM 1013 C GLY A 65 -5.215 -8.508 15.150 1.00 0.00 C ATOM 1014 O GLY A 65 -6.352 -8.431 14.727 1.00 0.00 O ATOM 0 H GLY A 65 -3.053 -9.738 15.153 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.543 -10.329 16.273 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.937 -8.999 17.240 1.00 0.00 H new ATOM 1018 N VAL A 66 -4.255 -7.753 14.672 1.00 0.00 N ATOM 1019 CA VAL A 66 -4.541 -6.770 13.584 1.00 0.00 C ATOM 1020 C VAL A 66 -4.422 -7.455 12.215 1.00 0.00 C ATOM 1021 O VAL A 66 -3.827 -8.504 12.094 1.00 0.00 O ATOM 1022 CB VAL A 66 -3.549 -5.599 13.665 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -4.101 -4.523 14.604 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -2.199 -6.095 14.197 1.00 0.00 C ATOM 0 H VAL A 66 -3.286 -7.776 14.990 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.555 -6.390 13.707 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.411 -5.179 12.669 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.397 -3.693 14.661 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.056 -4.163 14.223 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.244 -4.946 15.598 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.501 -5.260 14.252 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.334 -6.521 15.191 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.801 -6.857 13.527 1.00 0.00 H new ATOM 1034 N PRO A 67 -4.995 -6.866 11.192 1.00 0.00 N ATOM 1035 CA PRO A 67 -4.961 -7.417 9.811 1.00 0.00 C ATOM 1036 C PRO A 67 -3.755 -6.924 8.997 1.00 0.00 C ATOM 1037 O PRO A 67 -3.304 -5.811 9.153 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.259 -6.889 9.197 1.00 0.00 C ATOM 1039 CG PRO A 67 -6.603 -5.639 9.958 1.00 0.00 C ATOM 1040 CD PRO A 67 -5.752 -5.609 11.235 1.00 0.00 C ATOM 0 HA PRO A 67 -4.871 -8.503 9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.129 -6.676 8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.057 -7.627 9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.407 -4.757 9.349 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.664 -5.625 10.207 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.088 -4.745 11.251 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.375 -5.549 12.128 1.00 0.00 H new ATOM 1048 N THR A 68 -3.241 -7.748 8.121 1.00 0.00 N ATOM 1049 CA THR A 68 -2.074 -7.340 7.276 1.00 0.00 C ATOM 1050 C THR A 68 -2.475 -7.490 5.805 1.00 0.00 C ATOM 1051 O THR A 68 -2.984 -8.522 5.410 1.00 0.00 O ATOM 1052 CB THR A 68 -0.886 -8.253 7.585 1.00 0.00 C ATOM 1053 OG1 THR A 68 -1.255 -9.606 7.359 1.00 0.00 O ATOM 1054 CG2 THR A 68 -0.479 -8.070 9.047 1.00 0.00 C ATOM 0 H THR A 68 -3.581 -8.695 7.952 1.00 0.00 H new ATOM 0 HA THR A 68 -1.792 -6.308 7.483 1.00 0.00 H new ATOM 0 HB THR A 68 -0.048 -7.996 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.000 -9.640 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.367 -8.718 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.196 -7.031 9.219 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.317 -8.330 9.693 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.289 -6.480 4.986 1.00 0.00 N ATOM 1063 CA LEU A 69 -2.707 -6.597 3.554 1.00 0.00 C ATOM 1064 C LEU A 69 -1.492 -6.829 2.647 1.00 0.00 C ATOM 1065 O LEU A 69 -0.565 -6.044 2.610 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.411 -5.299 3.137 1.00 0.00 C ATOM 1067 CG LEU A 69 -4.676 -5.626 2.335 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -5.858 -5.808 3.290 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -4.978 -4.480 1.365 1.00 0.00 C ATOM 0 H LEU A 69 -1.869 -5.587 5.246 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.381 -7.447 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.671 -4.716 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.738 -4.686 2.537 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.518 -6.547 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.756 -6.040 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.646 -6.625 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.015 -4.889 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.877 -4.713 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.133 -3.559 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.139 -4.351 0.682 1.00 0.00 H new ATOM 1081 N THR A 70 -1.496 -7.912 1.918 1.00 0.00 N ATOM 1082 CA THR A 70 -0.354 -8.225 1.007 1.00 0.00 C ATOM 1083 C THR A 70 -0.182 -7.123 -0.047 1.00 0.00 C ATOM 1084 O THR A 70 -1.145 -6.602 -0.577 1.00 0.00 O ATOM 1085 CB THR A 70 -0.647 -9.543 0.289 1.00 0.00 C ATOM 1086 OG1 THR A 70 -1.256 -10.452 1.196 1.00 0.00 O ATOM 1087 CG2 THR A 70 0.655 -10.145 -0.243 1.00 0.00 C ATOM 0 H THR A 70 -2.248 -8.601 1.914 1.00 0.00 H new ATOM 0 HA THR A 70 0.559 -8.296 1.598 1.00 0.00 H new ATOM 0 HB THR A 70 -1.322 -9.355 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.445 -11.296 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.440 -11.084 -0.753 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.118 -9.449 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.336 -10.331 0.588 1.00 0.00 H new ATOM 1095 N GLU A 71 1.041 -6.785 -0.366 1.00 0.00 N ATOM 1096 CA GLU A 71 1.293 -5.739 -1.402 1.00 0.00 C ATOM 1097 C GLU A 71 0.949 -6.310 -2.782 1.00 0.00 C ATOM 1098 O GLU A 71 0.684 -5.582 -3.717 1.00 0.00 O ATOM 1099 CB GLU A 71 2.771 -5.338 -1.375 1.00 0.00 C ATOM 1100 CG GLU A 71 2.915 -3.842 -1.690 1.00 0.00 C ATOM 1101 CD GLU A 71 4.003 -3.642 -2.746 1.00 0.00 C ATOM 1102 OE1 GLU A 71 5.161 -3.564 -2.368 1.00 0.00 O ATOM 1103 OE2 GLU A 71 3.660 -3.568 -3.915 1.00 0.00 O ATOM 0 H GLU A 71 1.880 -7.191 0.049 1.00 0.00 H new ATOM 0 HA GLU A 71 0.676 -4.864 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.197 -5.554 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.329 -5.927 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.967 -3.443 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.168 -3.292 -0.784 1.00 0.00 H new ATOM 1110 N GLU A 72 0.961 -7.612 -2.909 1.00 0.00 N ATOM 1111 CA GLU A 72 0.637 -8.244 -4.222 1.00 0.00 C ATOM 1112 C GLU A 72 -0.651 -7.621 -4.769 1.00 0.00 C ATOM 1113 O GLU A 72 -0.715 -7.210 -5.912 1.00 0.00 O ATOM 1114 CB GLU A 72 0.444 -9.753 -4.036 1.00 0.00 C ATOM 1115 CG GLU A 72 1.800 -10.418 -3.774 1.00 0.00 C ATOM 1116 CD GLU A 72 2.688 -10.288 -5.016 1.00 0.00 C ATOM 1117 OE1 GLU A 72 2.427 -10.983 -5.984 1.00 0.00 O ATOM 1118 OE2 GLU A 72 3.614 -9.495 -4.976 1.00 0.00 O ATOM 0 H GLU A 72 1.182 -8.266 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 72 1.454 -8.076 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.232 -9.943 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.017 -10.183 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.286 -9.950 -2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.658 -11.470 -3.525 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.672 -7.539 -3.953 1.00 0.00 N ATOM 1126 CA GLU A 73 -2.952 -6.930 -4.413 1.00 0.00 C ATOM 1127 C GLU A 73 -2.692 -5.484 -4.843 1.00 0.00 C ATOM 1128 O GLU A 73 -3.249 -5.006 -5.813 1.00 0.00 O ATOM 1129 CB GLU A 73 -3.970 -6.953 -3.267 1.00 0.00 C ATOM 1130 CG GLU A 73 -4.806 -8.234 -3.344 1.00 0.00 C ATOM 1131 CD GLU A 73 -5.788 -8.138 -4.516 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -6.765 -7.419 -4.389 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -5.546 -8.786 -5.522 1.00 0.00 O ATOM 0 H GLU A 73 -1.672 -7.869 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.348 -7.496 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.454 -6.901 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.619 -6.080 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.154 -9.098 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.351 -8.381 -2.411 1.00 0.00 H new ATOM 1140 N LEU A 74 -1.836 -4.789 -4.134 1.00 0.00 N ATOM 1141 CA LEU A 74 -1.522 -3.377 -4.505 1.00 0.00 C ATOM 1142 C LEU A 74 -1.004 -3.353 -5.944 1.00 0.00 C ATOM 1143 O LEU A 74 -1.445 -2.569 -6.758 1.00 0.00 O ATOM 1144 CB LEU A 74 -0.448 -2.824 -3.550 1.00 0.00 C ATOM 1145 CG LEU A 74 -0.083 -1.370 -3.904 1.00 0.00 C ATOM 1146 CD1 LEU A 74 0.862 -1.344 -5.111 1.00 0.00 C ATOM 1147 CD2 LEU A 74 -1.348 -0.566 -4.223 1.00 0.00 C ATOM 0 H LEU A 74 -1.342 -5.140 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.416 -2.759 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.812 -2.871 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.444 -3.448 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 74 0.417 -0.919 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.114 -0.312 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.773 -1.893 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.372 -1.808 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.074 0.459 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.863 -1.019 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.007 -0.566 -3.355 1.00 0.00 H new ATOM 1159 N TYR A 75 -0.081 -4.223 -6.265 1.00 0.00 N ATOM 1160 CA TYR A 75 0.459 -4.264 -7.653 1.00 0.00 C ATOM 1161 C TYR A 75 -0.672 -4.606 -8.625 1.00 0.00 C ATOM 1162 O TYR A 75 -0.735 -4.091 -9.723 1.00 0.00 O ATOM 1163 CB TYR A 75 1.552 -5.335 -7.749 1.00 0.00 C ATOM 1164 CG TYR A 75 2.915 -4.691 -7.631 1.00 0.00 C ATOM 1165 CD1 TYR A 75 3.315 -3.721 -8.558 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.780 -5.068 -6.596 1.00 0.00 C ATOM 1167 CE1 TYR A 75 4.578 -3.127 -8.449 1.00 0.00 C ATOM 1168 CE2 TYR A 75 5.044 -4.474 -6.488 1.00 0.00 C ATOM 1169 CZ TYR A 75 5.442 -3.503 -7.414 1.00 0.00 C ATOM 1170 OH TYR A 75 6.687 -2.917 -7.308 1.00 0.00 O ATOM 0 H TYR A 75 0.321 -4.907 -5.624 1.00 0.00 H new ATOM 0 HA TYR A 75 0.882 -3.292 -7.907 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.420 -6.074 -6.959 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.472 -5.865 -8.698 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.649 -3.431 -9.357 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.472 -5.817 -5.881 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.886 -2.378 -9.164 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.711 -4.765 -5.690 1.00 0.00 H new ATOM 0 HH TYR A 75 7.159 -3.290 -6.535 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.566 -5.472 -8.227 1.00 0.00 N ATOM 1181 CA ARG A 76 -2.695 -5.855 -9.123 1.00 0.00 C ATOM 1182 C ARG A 76 -3.562 -4.626 -9.417 1.00 0.00 C ATOM 1183 O ARG A 76 -3.507 -4.065 -10.495 1.00 0.00 O ATOM 1184 CB ARG A 76 -3.540 -6.937 -8.439 1.00 0.00 C ATOM 1185 CG ARG A 76 -4.565 -7.496 -9.431 1.00 0.00 C ATOM 1186 CD ARG A 76 -5.489 -8.484 -8.713 1.00 0.00 C ATOM 1187 NE ARG A 76 -6.192 -9.328 -9.720 1.00 0.00 N ATOM 1188 CZ ARG A 76 -7.387 -9.791 -9.467 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -7.604 -10.476 -8.377 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -8.362 -9.568 -10.303 1.00 0.00 N ATOM 0 H ARG A 76 -1.562 -5.932 -7.317 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.300 -6.243 -10.062 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.897 -7.738 -8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.050 -6.519 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.150 -6.683 -9.862 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.054 -7.993 -10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.911 -9.113 -8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.215 -7.944 -8.105 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.739 -9.544 -10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.841 -10.650 -7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.537 -10.838 -8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.192 -9.032 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.295 -9.929 -10.106 1.00 0.00 H new ATOM 1204 N LEU A 77 -4.378 -4.220 -8.476 1.00 0.00 N ATOM 1205 CA LEU A 77 -5.272 -3.045 -8.700 1.00 0.00 C ATOM 1206 C LEU A 77 -4.472 -1.859 -9.258 1.00 0.00 C ATOM 1207 O LEU A 77 -5.001 -1.036 -9.980 1.00 0.00 O ATOM 1208 CB LEU A 77 -5.928 -2.646 -7.371 1.00 0.00 C ATOM 1209 CG LEU A 77 -7.056 -3.628 -7.013 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -8.022 -3.777 -8.193 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -6.464 -4.997 -6.663 1.00 0.00 C ATOM 0 H LEU A 77 -4.463 -4.655 -7.558 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.040 -3.317 -9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.180 -2.636 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.328 -1.635 -7.445 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.600 -3.237 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.816 -4.475 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.457 -2.806 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.481 -4.156 -9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.269 -5.688 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.910 -5.383 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.792 -4.896 -5.811 1.00 0.00 H new ATOM 1223 N LEU A 78 -3.206 -1.763 -8.940 1.00 0.00 N ATOM 1224 CA LEU A 78 -2.387 -0.629 -9.466 1.00 0.00 C ATOM 1225 C LEU A 78 -2.045 -0.891 -10.937 1.00 0.00 C ATOM 1226 O LEU A 78 -2.403 -0.124 -11.809 1.00 0.00 O ATOM 1227 CB LEU A 78 -1.096 -0.502 -8.651 1.00 0.00 C ATOM 1228 CG LEU A 78 -0.312 0.734 -9.110 1.00 0.00 C ATOM 1229 CD1 LEU A 78 0.015 1.616 -7.901 1.00 0.00 C ATOM 1230 CD2 LEU A 78 0.990 0.292 -9.786 1.00 0.00 C ATOM 0 H LEU A 78 -2.705 -2.419 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.954 0.298 -9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.331 -0.421 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.487 -1.397 -8.775 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.916 1.301 -9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.572 2.493 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.911 1.933 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.617 1.050 -7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.547 1.170 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.592 -0.277 -9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.758 -0.332 -10.649 1.00 0.00 H new ATOM 1242 N GLU A 79 -1.344 -1.964 -11.211 1.00 0.00 N ATOM 1243 CA GLU A 79 -0.961 -2.285 -12.622 1.00 0.00 C ATOM 1244 C GLU A 79 -2.188 -2.170 -13.531 1.00 0.00 C ATOM 1245 O GLU A 79 -2.079 -1.826 -14.691 1.00 0.00 O ATOM 1246 CB GLU A 79 -0.405 -3.710 -12.689 1.00 0.00 C ATOM 1247 CG GLU A 79 0.996 -3.744 -12.059 1.00 0.00 C ATOM 1248 CD GLU A 79 1.333 -5.162 -11.567 1.00 0.00 C ATOM 1249 OE1 GLU A 79 0.459 -6.016 -11.598 1.00 0.00 O ATOM 1250 OE2 GLU A 79 2.466 -5.368 -11.164 1.00 0.00 O ATOM 0 H GLU A 79 -1.019 -2.635 -10.515 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.199 -1.581 -12.957 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.069 -4.396 -12.162 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.358 -4.045 -13.725 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.737 -3.421 -12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.043 -3.043 -11.226 1.00 0.00 H new ATOM 1257 N ALA A 80 -3.358 -2.431 -13.005 1.00 0.00 N ATOM 1258 CA ALA A 80 -4.590 -2.305 -13.836 1.00 0.00 C ATOM 1259 C ALA A 80 -4.965 -0.823 -13.895 1.00 0.00 C ATOM 1260 O ALA A 80 -4.924 -0.207 -14.942 1.00 0.00 O ATOM 1261 CB ALA A 80 -5.729 -3.106 -13.196 1.00 0.00 C ATOM 0 H ALA A 80 -3.512 -2.724 -12.040 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.416 -2.693 -14.840 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.628 -3.012 -13.806 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.443 -4.156 -13.131 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.927 -2.721 -12.196 1.00 0.00 H new ATOM 1267 N ARG A 81 -5.328 -0.256 -12.770 1.00 0.00 N ATOM 1268 CA ARG A 81 -5.703 1.192 -12.726 1.00 0.00 C ATOM 1269 C ARG A 81 -4.746 1.986 -13.623 1.00 0.00 C ATOM 1270 O ARG A 81 -5.165 2.754 -14.467 1.00 0.00 O ATOM 1271 CB ARG A 81 -5.600 1.699 -11.283 1.00 0.00 C ATOM 1272 CG ARG A 81 -5.818 3.218 -11.237 1.00 0.00 C ATOM 1273 CD ARG A 81 -7.269 3.546 -11.602 1.00 0.00 C ATOM 1274 NE ARG A 81 -7.498 5.012 -11.450 1.00 0.00 N ATOM 1275 CZ ARG A 81 -8.630 5.452 -10.968 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -9.756 4.914 -11.349 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -8.632 6.433 -10.107 1.00 0.00 N ATOM 0 H ARG A 81 -5.381 -0.739 -11.873 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.725 1.321 -13.081 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.342 1.199 -10.660 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.621 1.452 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.589 3.597 -10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.138 3.713 -11.930 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.476 3.239 -12.627 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.952 2.991 -10.959 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.770 5.672 -11.723 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.753 4.149 -12.024 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.639 5.258 -10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.751 6.854 -9.812 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.514 6.778 -9.729 1.00 0.00 H new ATOM 1291 N THR A 82 -3.463 1.783 -13.460 1.00 0.00 N ATOM 1292 CA THR A 82 -2.474 2.499 -14.315 1.00 0.00 C ATOM 1293 C THR A 82 -2.628 1.999 -15.752 1.00 0.00 C ATOM 1294 O THR A 82 -2.694 2.768 -16.691 1.00 0.00 O ATOM 1295 CB THR A 82 -1.054 2.199 -13.815 1.00 0.00 C ATOM 1296 OG1 THR A 82 -0.997 2.406 -12.410 1.00 0.00 O ATOM 1297 CG2 THR A 82 -0.053 3.125 -14.510 1.00 0.00 C ATOM 0 H THR A 82 -3.059 1.150 -12.769 1.00 0.00 H new ATOM 0 HA THR A 82 -2.646 3.574 -14.272 1.00 0.00 H new ATOM 0 HB THR A 82 -0.801 1.164 -14.043 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.326 1.607 -11.948 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.953 2.908 -14.151 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.097 2.965 -15.587 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.302 4.163 -14.287 1.00 0.00 H new ATOM 1305 N GLY A 83 -2.685 0.704 -15.919 1.00 0.00 N ATOM 1306 CA GLY A 83 -2.835 0.121 -17.282 1.00 0.00 C ATOM 1307 C GLY A 83 -1.462 0.024 -17.942 1.00 0.00 C ATOM 1308 O GLY A 83 -1.349 -0.099 -19.146 1.00 0.00 O ATOM 0 H GLY A 83 -2.634 0.021 -15.163 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.292 -0.867 -17.220 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.498 0.742 -17.885 1.00 0.00 H new ATOM 1312 N LYS A 84 -0.418 0.074 -17.158 1.00 0.00 N ATOM 1313 CA LYS A 84 0.956 -0.018 -17.726 1.00 0.00 C ATOM 1314 C LYS A 84 1.896 -0.578 -16.652 1.00 0.00 C ATOM 1315 O LYS A 84 1.673 -1.649 -16.122 1.00 0.00 O ATOM 1316 CB LYS A 84 1.423 1.379 -18.158 1.00 0.00 C ATOM 1317 CG LYS A 84 2.622 1.254 -19.103 1.00 0.00 C ATOM 1318 CD LYS A 84 2.840 2.580 -19.836 1.00 0.00 C ATOM 1319 CE LYS A 84 4.145 2.519 -20.633 1.00 0.00 C ATOM 1320 NZ LYS A 84 5.304 2.634 -19.702 1.00 0.00 N ATOM 0 H LYS A 84 -0.460 0.175 -16.144 1.00 0.00 H new ATOM 0 HA LYS A 84 0.961 -0.676 -18.595 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.609 1.907 -18.655 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.697 1.968 -17.283 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.516 0.988 -18.539 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.449 0.454 -19.822 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.003 2.779 -20.505 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.878 3.401 -19.120 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.202 1.582 -21.187 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.173 3.325 -21.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.162 2.864 -20.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.119 3.387 -19.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.440 1.731 -19.204 1.00 0.00 H new ATOM 1334 N LYS A 85 2.937 0.141 -16.320 1.00 0.00 N ATOM 1335 CA LYS A 85 3.886 -0.338 -15.276 1.00 0.00 C ATOM 1336 C LYS A 85 3.923 0.678 -14.137 1.00 0.00 C ATOM 1337 O LYS A 85 3.738 1.863 -14.344 1.00 0.00 O ATOM 1338 CB LYS A 85 5.287 -0.473 -15.882 1.00 0.00 C ATOM 1339 CG LYS A 85 5.405 -1.812 -16.618 1.00 0.00 C ATOM 1340 CD LYS A 85 6.557 -1.749 -17.628 1.00 0.00 C ATOM 1341 CE LYS A 85 7.869 -1.430 -16.904 1.00 0.00 C ATOM 1342 NZ LYS A 85 8.085 -2.412 -15.804 1.00 0.00 N ATOM 0 H LYS A 85 3.170 1.045 -16.731 1.00 0.00 H new ATOM 0 HA LYS A 85 3.561 -1.307 -14.898 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.476 0.350 -16.571 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.041 -0.411 -15.097 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.579 -2.616 -15.903 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.471 -2.039 -17.132 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.644 -2.700 -18.154 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.352 -0.987 -18.380 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.702 -1.467 -17.606 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.837 -0.418 -16.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.081 -2.385 -15.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.475 -2.170 -14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.851 -3.368 -16.141 1.00 0.00 H new ATOM 1356 N ALA A 86 4.162 0.228 -12.934 1.00 0.00 N ATOM 1357 CA ALA A 86 4.214 1.171 -11.781 1.00 0.00 C ATOM 1358 C ALA A 86 5.335 2.188 -12.011 1.00 0.00 C ATOM 1359 O ALA A 86 5.294 3.296 -11.513 1.00 0.00 O ATOM 1360 CB ALA A 86 4.485 0.388 -10.493 1.00 0.00 C ATOM 0 H ALA A 86 4.323 -0.752 -12.701 1.00 0.00 H new ATOM 0 HA ALA A 86 3.262 1.694 -11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.523 1.077 -9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.687 -0.337 -10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.438 -0.134 -10.578 1.00 0.00 H new