USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 CYS SG : rot -158:sc= -0.762 USER MOD Set 1.2: A 86 TYR OH : rot -178:sc= 0.253 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= -0.208 (180deg=-1.34!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0149 USER MOD Single : A 23 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.68) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 24:sc= 0.224 USER MOD Single : A 54 THR OG1 : rot -120:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc=-0.00926 (180deg=-0.21) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.44) USER MOD Single : A 67 THR OG1 : rot -24:sc= 0.53 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00597 USER MOD Single : A 72 TYR OH : rot 167:sc= 0.0319 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -134:sc= -0.937 (180deg=-1.53) USER MOD Single : A 80 TYR OH : rot 154:sc= 0.694 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -135:sc= -1.54 (180deg=-2.91!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -5.22! X(o=-5.2!,f=-5.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N PHE A 9 12.254 15.665 5.260 1.00 0.00 N ATOM 81 CA PHE A 9 11.454 14.447 5.216 1.00 0.00 C ATOM 82 C PHE A 9 10.122 14.644 5.935 1.00 0.00 C ATOM 83 O PHE A 9 10.076 15.176 7.044 1.00 0.00 O ATOM 84 CB PHE A 9 12.221 13.284 5.849 1.00 0.00 C ATOM 85 CG PHE A 9 11.332 12.190 6.366 1.00 0.00 C ATOM 86 CD1 PHE A 9 10.925 11.159 5.534 1.00 0.00 C ATOM 87 CD2 PHE A 9 10.902 12.192 7.683 1.00 0.00 C ATOM 88 CE1 PHE A 9 10.106 10.150 6.007 1.00 0.00 C ATOM 89 CE2 PHE A 9 10.085 11.185 8.161 1.00 0.00 C ATOM 90 CZ PHE A 9 9.685 10.164 7.322 1.00 0.00 C ATOM 0 HA PHE A 9 11.251 14.213 4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 9 12.906 12.866 5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.830 13.664 6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.251 11.143 4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.209 12.989 8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.796 9.352 5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.759 11.197 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.044 9.378 7.693 1.00 0.00 H new ATOM 100 N ASP A 10 9.042 14.211 5.295 1.00 0.00 N ATOM 101 CA ASP A 10 7.709 14.339 5.872 1.00 0.00 C ATOM 102 C ASP A 10 6.746 13.337 5.243 1.00 0.00 C ATOM 103 O ASP A 10 6.313 13.488 4.100 1.00 0.00 O ATOM 104 CB ASP A 10 7.181 15.761 5.681 1.00 0.00 C ATOM 105 CG ASP A 10 5.984 16.058 6.563 1.00 0.00 C ATOM 106 OD1 ASP A 10 5.034 15.248 6.566 1.00 0.00 O ATOM 107 OD2 ASP A 10 5.999 17.101 7.250 1.00 0.00 O ATOM 0 H ASP A 10 9.063 13.768 4.376 1.00 0.00 H new ATOM 0 HA ASP A 10 7.780 14.127 6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.976 16.473 5.901 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.904 15.905 4.637 1.00 0.00 H new ATOM 112 N PRO A 11 6.402 12.287 6.004 1.00 0.00 N ATOM 113 CA PRO A 11 5.487 11.240 5.542 1.00 0.00 C ATOM 114 C PRO A 11 4.052 11.740 5.410 1.00 0.00 C ATOM 115 O PRO A 11 3.245 11.156 4.686 1.00 0.00 O ATOM 116 CB PRO A 11 5.584 10.175 6.637 1.00 0.00 C ATOM 117 CG PRO A 11 5.999 10.923 7.857 1.00 0.00 C ATOM 118 CD PRO A 11 6.879 12.044 7.376 1.00 0.00 C ATOM 0 HA PRO A 11 5.753 10.876 4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.628 9.673 6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.311 9.406 6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.131 11.310 8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.536 10.274 8.549 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.776 12.932 8.000 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.932 11.763 7.392 1.00 0.00 H new ATOM 126 N SER A 12 3.741 12.823 6.114 1.00 0.00 N ATOM 127 CA SER A 12 2.402 13.399 6.079 1.00 0.00 C ATOM 128 C SER A 12 2.131 14.060 4.731 1.00 0.00 C ATOM 129 O SER A 12 0.983 14.167 4.297 1.00 0.00 O ATOM 130 CB SER A 12 2.234 14.422 7.204 1.00 0.00 C ATOM 131 OG SER A 12 0.870 14.572 7.557 1.00 0.00 O ATOM 0 H SER A 12 4.398 13.320 6.716 1.00 0.00 H new ATOM 0 HA SER A 12 1.682 12.593 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.806 14.105 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.639 15.384 6.889 1.00 0.00 H new ATOM 0 HG SER A 12 0.789 15.230 8.279 1.00 0.00 H new ATOM 137 N LYS A 13 3.196 14.503 4.071 1.00 0.00 N ATOM 138 CA LYS A 13 3.076 15.153 2.771 1.00 0.00 C ATOM 139 C LYS A 13 3.031 14.121 1.649 1.00 0.00 C ATOM 140 O LYS A 13 2.776 14.458 0.493 1.00 0.00 O ATOM 141 CB LYS A 13 4.247 16.114 2.549 1.00 0.00 C ATOM 142 CG LYS A 13 4.522 17.022 3.735 1.00 0.00 C ATOM 143 CD LYS A 13 3.406 18.034 3.932 1.00 0.00 C ATOM 144 CE LYS A 13 3.623 19.276 3.081 1.00 0.00 C ATOM 145 NZ LYS A 13 3.024 19.130 1.725 1.00 0.00 N ATOM 0 H LYS A 13 4.153 14.424 4.415 1.00 0.00 H new ATOM 0 HA LYS A 13 2.143 15.717 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.144 15.535 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.041 16.728 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.632 16.420 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.466 17.545 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.450 17.578 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.351 18.317 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.185 20.140 3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.691 19.470 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.771 19.205 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.561 18.202 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.321 19.881 1.573 1.00 0.00 H new ATOM 159 N VAL A 14 3.279 12.863 1.998 1.00 0.00 N ATOM 160 CA VAL A 14 3.264 11.781 1.020 1.00 0.00 C ATOM 161 C VAL A 14 1.839 11.446 0.594 1.00 0.00 C ATOM 162 O VAL A 14 0.972 11.192 1.430 1.00 0.00 O ATOM 163 CB VAL A 14 3.933 10.511 1.578 1.00 0.00 C ATOM 164 CG1 VAL A 14 3.813 9.364 0.586 1.00 0.00 C ATOM 165 CG2 VAL A 14 5.391 10.783 1.918 1.00 0.00 C ATOM 0 H VAL A 14 3.493 12.568 2.951 1.00 0.00 H new ATOM 0 HA VAL A 14 3.827 12.129 0.154 1.00 0.00 H new ATOM 0 HB VAL A 14 3.418 10.222 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.291 8.475 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.760 9.155 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.301 9.639 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.848 9.875 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.922 11.097 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.449 11.572 2.668 1.00 0.00 H new ATOM 175 N VAL A 15 1.603 11.447 -0.715 1.00 0.00 N ATOM 176 CA VAL A 15 0.284 11.141 -1.254 1.00 0.00 C ATOM 177 C VAL A 15 0.253 9.749 -1.874 1.00 0.00 C ATOM 178 O VAL A 15 1.100 9.406 -2.698 1.00 0.00 O ATOM 179 CB VAL A 15 -0.142 12.173 -2.315 1.00 0.00 C ATOM 180 CG1 VAL A 15 -1.508 11.822 -2.885 1.00 0.00 C ATOM 181 CG2 VAL A 15 -0.147 13.574 -1.722 1.00 0.00 C ATOM 0 H VAL A 15 2.309 11.656 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.416 11.179 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 15 0.581 12.150 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.791 12.563 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.467 10.836 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.246 11.815 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.450 14.291 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.848 13.614 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.853 13.823 -1.368 1.00 0.00 H new ATOM 191 N ALA A 16 -0.731 8.950 -1.473 1.00 0.00 N ATOM 192 CA ALA A 16 -0.875 7.595 -1.991 1.00 0.00 C ATOM 193 C ALA A 16 -2.275 7.367 -2.551 1.00 0.00 C ATOM 194 O ALA A 16 -3.272 7.669 -1.895 1.00 0.00 O ATOM 195 CB ALA A 16 -0.567 6.578 -0.902 1.00 0.00 C ATOM 0 H ALA A 16 -1.440 9.218 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.162 7.466 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.679 5.571 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.456 6.718 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.257 6.716 -0.070 1.00 0.00 H new ATOM 201 N SER A 17 -2.342 6.834 -3.766 1.00 0.00 N ATOM 202 CA SER A 17 -3.620 6.569 -4.416 1.00 0.00 C ATOM 203 C SER A 17 -3.510 5.385 -5.371 1.00 0.00 C ATOM 204 O SER A 17 -2.455 4.762 -5.486 1.00 0.00 O ATOM 205 CB SER A 17 -4.097 7.809 -5.175 1.00 0.00 C ATOM 206 OG SER A 17 -4.257 8.913 -4.300 1.00 0.00 O ATOM 0 H SER A 17 -1.526 6.577 -4.321 1.00 0.00 H new ATOM 0 HA SER A 17 -4.348 6.322 -3.643 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.378 8.060 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.044 7.594 -5.671 1.00 0.00 H new ATOM 0 HG SER A 17 -4.561 9.693 -4.810 1.00 0.00 H new ATOM 212 N GLY A 18 -4.608 5.081 -6.057 1.00 0.00 N ATOM 213 CA GLY A 18 -4.614 3.973 -6.994 1.00 0.00 C ATOM 214 C GLY A 18 -5.764 3.016 -6.752 1.00 0.00 C ATOM 215 O GLY A 18 -6.436 3.067 -5.721 1.00 0.00 O ATOM 0 H GLY A 18 -5.493 5.582 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.676 4.361 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.672 3.431 -6.917 1.00 0.00 H new ATOM 219 N PRO A 19 -6.006 2.119 -7.719 1.00 0.00 N ATOM 220 CA PRO A 19 -7.085 1.130 -7.630 1.00 0.00 C ATOM 221 C PRO A 19 -6.807 0.064 -6.576 1.00 0.00 C ATOM 222 O PRO A 19 -7.731 -0.522 -6.013 1.00 0.00 O ATOM 223 CB PRO A 19 -7.110 0.506 -9.028 1.00 0.00 C ATOM 224 CG PRO A 19 -5.731 0.702 -9.555 1.00 0.00 C ATOM 225 CD PRO A 19 -5.246 2.002 -8.975 1.00 0.00 C ATOM 0 HA PRO A 19 -8.031 1.583 -7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.371 -0.551 -8.985 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.850 0.991 -9.665 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.081 -0.122 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.731 0.737 -10.644 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.171 1.985 -8.794 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.444 2.839 -9.644 1.00 0.00 H new ATOM 233 N GLY A 20 -5.527 -0.184 -6.314 1.00 0.00 N ATOM 234 CA GLY A 20 -5.151 -1.180 -5.327 1.00 0.00 C ATOM 235 C GLY A 20 -5.537 -0.774 -3.918 1.00 0.00 C ATOM 236 O GLY A 20 -5.741 -1.627 -3.053 1.00 0.00 O ATOM 0 H GLY A 20 -4.744 0.287 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.629 -2.129 -5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.074 -1.344 -5.373 1.00 0.00 H new ATOM 240 N LEU A 21 -5.636 0.530 -3.686 1.00 0.00 N ATOM 241 CA LEU A 21 -5.998 1.047 -2.371 1.00 0.00 C ATOM 242 C LEU A 21 -7.514 1.108 -2.208 1.00 0.00 C ATOM 243 O LEU A 21 -8.019 1.515 -1.163 1.00 0.00 O ATOM 244 CB LEU A 21 -5.395 2.437 -2.164 1.00 0.00 C ATOM 245 CG LEU A 21 -4.001 2.478 -1.538 1.00 0.00 C ATOM 246 CD1 LEU A 21 -3.242 3.711 -2.004 1.00 0.00 C ATOM 247 CD2 LEU A 21 -4.097 2.451 -0.019 1.00 0.00 C ATOM 0 H LEU A 21 -5.471 1.248 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.597 0.368 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.352 2.940 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.071 3.014 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.452 1.594 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.252 3.723 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.141 3.688 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.788 4.607 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.095 2.481 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.665 3.316 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.600 1.537 0.298 1.00 0.00 H new ATOM 259 N GLU A 22 -8.232 0.699 -3.249 1.00 0.00 N ATOM 260 CA GLU A 22 -9.690 0.707 -3.221 1.00 0.00 C ATOM 261 C GLU A 22 -10.243 -0.715 -3.271 1.00 0.00 C ATOM 262 O GLU A 22 -11.295 -1.005 -2.701 1.00 0.00 O ATOM 263 CB GLU A 22 -10.241 1.521 -4.393 1.00 0.00 C ATOM 264 CG GLU A 22 -9.614 2.899 -4.525 1.00 0.00 C ATOM 265 CD GLU A 22 -10.537 3.898 -5.194 1.00 0.00 C ATOM 266 OE1 GLU A 22 -10.743 3.787 -6.421 1.00 0.00 O ATOM 267 OE2 GLU A 22 -11.053 4.792 -4.491 1.00 0.00 O ATOM 0 H GLU A 22 -7.828 0.358 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.007 1.170 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.078 0.967 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.319 1.631 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.343 3.267 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.691 2.821 -5.100 1.00 0.00 H new ATOM 274 N HIS A 23 -9.525 -1.599 -3.957 1.00 0.00 N ATOM 275 CA HIS A 23 -9.942 -2.991 -4.082 1.00 0.00 C ATOM 276 C HIS A 23 -8.869 -3.819 -4.783 1.00 0.00 C ATOM 277 O HIS A 23 -7.985 -3.276 -5.444 1.00 0.00 O ATOM 278 CB HIS A 23 -11.259 -3.083 -4.854 1.00 0.00 C ATOM 279 CG HIS A 23 -11.183 -2.514 -6.238 1.00 0.00 C ATOM 280 ND1 HIS A 23 -10.611 -3.186 -7.297 1.00 0.00 N ATOM 281 CD2 HIS A 23 -11.613 -1.330 -6.733 1.00 0.00 C ATOM 282 CE1 HIS A 23 -10.691 -2.439 -8.384 1.00 0.00 C ATOM 283 NE2 HIS A 23 -11.295 -1.308 -8.069 1.00 0.00 N ATOM 0 H HIS A 23 -8.652 -1.376 -4.435 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.088 -3.392 -3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.562 -4.128 -4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.035 -2.558 -4.296 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.113 -0.548 -6.180 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.325 -2.708 -9.364 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.493 -0.542 -8.713 1.00 0.00 H new ATOM 292 N GLY A 24 -8.953 -5.137 -4.631 1.00 0.00 N ATOM 293 CA GLY A 24 -7.983 -6.019 -5.254 1.00 0.00 C ATOM 294 C GLY A 24 -8.587 -7.346 -5.667 1.00 0.00 C ATOM 295 O GLY A 24 -9.761 -7.612 -5.406 1.00 0.00 O ATOM 0 H GLY A 24 -9.675 -5.610 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.560 -5.528 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.161 -6.198 -4.561 1.00 0.00 H new ATOM 299 N LYS A 25 -7.785 -8.183 -6.317 1.00 0.00 N ATOM 300 CA LYS A 25 -8.246 -9.490 -6.768 1.00 0.00 C ATOM 301 C LYS A 25 -7.136 -10.530 -6.647 1.00 0.00 C ATOM 302 O LYS A 25 -5.985 -10.268 -6.998 1.00 0.00 O ATOM 303 CB LYS A 25 -8.729 -9.411 -8.218 1.00 0.00 C ATOM 304 CG LYS A 25 -9.722 -10.499 -8.588 1.00 0.00 C ATOM 305 CD LYS A 25 -9.823 -10.672 -10.095 1.00 0.00 C ATOM 306 CE LYS A 25 -8.823 -11.697 -10.606 1.00 0.00 C ATOM 307 NZ LYS A 25 -9.046 -12.021 -12.042 1.00 0.00 N ATOM 0 H LYS A 25 -6.812 -7.979 -6.543 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.076 -9.794 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.190 -8.438 -8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.868 -9.475 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.418 -11.441 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.703 -10.251 -8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.833 -10.984 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.647 -9.714 -10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.811 -11.315 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.901 -12.608 -10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.344 -12.723 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.003 -12.410 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.947 -11.157 -12.612 1.00 0.00 H new ATOM 321 N VAL A 26 -7.489 -11.711 -6.151 1.00 0.00 N ATOM 322 CA VAL A 26 -6.524 -12.791 -5.986 1.00 0.00 C ATOM 323 C VAL A 26 -5.769 -13.056 -7.284 1.00 0.00 C ATOM 324 O VAL A 26 -6.324 -13.601 -8.238 1.00 0.00 O ATOM 325 CB VAL A 26 -7.210 -14.093 -5.530 1.00 0.00 C ATOM 326 CG1 VAL A 26 -6.241 -15.263 -5.609 1.00 0.00 C ATOM 327 CG2 VAL A 26 -7.759 -13.939 -4.120 1.00 0.00 C ATOM 0 H VAL A 26 -8.437 -11.944 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.820 -12.471 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.045 -14.298 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.743 -16.174 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.900 -15.384 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.384 -15.070 -4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.240 -14.868 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.943 -13.710 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.488 -13.129 -4.100 1.00 0.00 H new ATOM 337 N GLY A 27 -4.498 -12.666 -7.313 1.00 0.00 N ATOM 338 CA GLY A 27 -3.687 -12.869 -8.499 1.00 0.00 C ATOM 339 C GLY A 27 -3.407 -11.576 -9.239 1.00 0.00 C ATOM 340 O GLY A 27 -2.390 -11.452 -9.921 1.00 0.00 O ATOM 0 H GLY A 27 -4.016 -12.213 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.743 -13.333 -8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.195 -13.564 -9.168 1.00 0.00 H new ATOM 344 N GLU A 28 -4.313 -10.613 -9.107 1.00 0.00 N ATOM 345 CA GLU A 28 -4.159 -9.324 -9.771 1.00 0.00 C ATOM 346 C GLU A 28 -3.049 -8.505 -9.119 1.00 0.00 C ATOM 347 O GLU A 28 -2.409 -8.953 -8.169 1.00 0.00 O ATOM 348 CB GLU A 28 -5.475 -8.544 -9.731 1.00 0.00 C ATOM 349 CG GLU A 28 -6.403 -8.855 -10.893 1.00 0.00 C ATOM 350 CD GLU A 28 -5.923 -8.255 -12.200 1.00 0.00 C ATOM 351 OE1 GLU A 28 -5.857 -7.011 -12.291 1.00 0.00 O ATOM 352 OE2 GLU A 28 -5.615 -9.028 -13.131 1.00 0.00 O ATOM 0 H GLU A 28 -5.161 -10.701 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.887 -9.510 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.990 -8.765 -8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.255 -7.476 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.490 -9.936 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.400 -8.476 -10.668 1.00 0.00 H new ATOM 359 N ALA A 29 -2.827 -7.301 -9.638 1.00 0.00 N ATOM 360 CA ALA A 29 -1.796 -6.418 -9.106 1.00 0.00 C ATOM 361 C ALA A 29 -2.386 -5.076 -8.686 1.00 0.00 C ATOM 362 O ALA A 29 -2.941 -4.347 -9.507 1.00 0.00 O ATOM 363 CB ALA A 29 -0.694 -6.214 -10.135 1.00 0.00 C ATOM 0 H ALA A 29 -3.347 -6.915 -10.426 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.369 -6.890 -8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.069 -5.553 -9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.245 -7.176 -10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.115 -5.767 -11.035 1.00 0.00 H new ATOM 369 N GLY A 30 -2.262 -4.756 -7.402 1.00 0.00 N ATOM 370 CA GLY A 30 -2.789 -3.503 -6.895 1.00 0.00 C ATOM 371 C GLY A 30 -1.938 -2.313 -7.294 1.00 0.00 C ATOM 372 O GLY A 30 -0.903 -2.047 -6.681 1.00 0.00 O ATOM 0 H GLY A 30 -1.806 -5.343 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.804 -3.362 -7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.853 -3.552 -5.808 1.00 0.00 H new ATOM 376 N LEU A 31 -2.371 -1.596 -8.324 1.00 0.00 N ATOM 377 CA LEU A 31 -1.641 -0.429 -8.806 1.00 0.00 C ATOM 378 C LEU A 31 -1.623 0.675 -7.753 1.00 0.00 C ATOM 379 O LEU A 31 -2.672 1.182 -7.353 1.00 0.00 O ATOM 380 CB LEU A 31 -2.270 0.094 -10.098 1.00 0.00 C ATOM 381 CG LEU A 31 -2.385 -0.912 -11.244 1.00 0.00 C ATOM 382 CD1 LEU A 31 -3.180 -0.321 -12.397 1.00 0.00 C ATOM 383 CD2 LEU A 31 -1.003 -1.345 -11.713 1.00 0.00 C ATOM 0 H LEU A 31 -3.225 -1.802 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.613 -0.732 -9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.268 0.467 -9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.684 0.945 -10.445 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.916 -1.791 -10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.251 -1.052 -13.203 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.181 -0.062 -12.053 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.679 0.575 -12.763 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.103 -2.061 -12.529 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.447 -0.474 -12.061 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.467 -1.810 -10.886 1.00 0.00 H new ATOM 395 N LEU A 32 -0.426 1.043 -7.310 1.00 0.00 N ATOM 396 CA LEU A 32 -0.271 2.089 -6.305 1.00 0.00 C ATOM 397 C LEU A 32 0.795 3.096 -6.726 1.00 0.00 C ATOM 398 O LEU A 32 1.897 2.718 -7.123 1.00 0.00 O ATOM 399 CB LEU A 32 0.097 1.475 -4.953 1.00 0.00 C ATOM 400 CG LEU A 32 -0.829 0.369 -4.444 1.00 0.00 C ATOM 401 CD1 LEU A 32 -0.378 -0.115 -3.075 1.00 0.00 C ATOM 402 CD2 LEU A 32 -2.268 0.861 -4.391 1.00 0.00 C ATOM 0 H LEU A 32 0.451 0.633 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.223 2.613 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.107 1.072 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.122 2.272 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.779 -0.470 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.048 -0.902 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.637 -0.507 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.399 0.716 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.913 0.061 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.336 1.716 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.588 1.158 -5.390 1.00 0.00 H new ATOM 414 N SER A 33 0.459 4.378 -6.635 1.00 0.00 N ATOM 415 CA SER A 33 1.387 5.440 -7.008 1.00 0.00 C ATOM 416 C SER A 33 1.569 6.430 -5.861 1.00 0.00 C ATOM 417 O SER A 33 0.597 6.937 -5.303 1.00 0.00 O ATOM 418 CB SER A 33 0.883 6.172 -8.253 1.00 0.00 C ATOM 419 OG SER A 33 1.368 5.559 -9.436 1.00 0.00 O ATOM 0 H SER A 33 -0.449 4.707 -6.306 1.00 0.00 H new ATOM 0 HA SER A 33 2.352 4.985 -7.229 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.207 6.174 -8.261 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.204 7.213 -8.221 1.00 0.00 H new ATOM 0 HG SER A 33 1.031 6.044 -10.218 1.00 0.00 H new ATOM 425 N VAL A 34 2.824 6.699 -5.515 1.00 0.00 N ATOM 426 CA VAL A 34 3.136 7.629 -4.436 1.00 0.00 C ATOM 427 C VAL A 34 3.780 8.901 -4.976 1.00 0.00 C ATOM 428 O VAL A 34 4.936 8.892 -5.400 1.00 0.00 O ATOM 429 CB VAL A 34 4.079 6.989 -3.399 1.00 0.00 C ATOM 430 CG1 VAL A 34 4.468 8.003 -2.334 1.00 0.00 C ATOM 431 CG2 VAL A 34 3.428 5.767 -2.770 1.00 0.00 C ATOM 0 H VAL A 34 3.641 6.286 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 34 2.192 7.881 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 34 4.987 6.667 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.134 7.533 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.977 8.845 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.572 8.358 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.108 5.328 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.504 6.062 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.205 5.034 -3.545 1.00 0.00 H new ATOM 441 N ASP A 35 3.025 9.994 -4.956 1.00 0.00 N ATOM 442 CA ASP A 35 3.523 11.276 -5.442 1.00 0.00 C ATOM 443 C ASP A 35 4.261 12.026 -4.338 1.00 0.00 C ATOM 444 O ASP A 35 3.643 12.676 -3.495 1.00 0.00 O ATOM 445 CB ASP A 35 2.368 12.128 -5.970 1.00 0.00 C ATOM 446 CG ASP A 35 1.702 11.512 -7.185 1.00 0.00 C ATOM 447 OD1 ASP A 35 2.350 10.686 -7.862 1.00 0.00 O ATOM 448 OD2 ASP A 35 0.533 11.856 -7.459 1.00 0.00 O ATOM 0 H ASP A 35 2.066 10.018 -4.609 1.00 0.00 H new ATOM 0 HA ASP A 35 4.223 11.082 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.627 12.260 -5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.740 13.120 -6.227 1.00 0.00 H new ATOM 453 N CYS A 36 5.586 11.930 -4.350 1.00 0.00 N ATOM 454 CA CYS A 36 6.410 12.598 -3.348 1.00 0.00 C ATOM 455 C CYS A 36 7.062 13.849 -3.928 1.00 0.00 C ATOM 456 O CYS A 36 7.962 13.762 -4.763 1.00 0.00 O ATOM 457 CB CYS A 36 7.484 11.645 -2.823 1.00 0.00 C ATOM 458 SG CYS A 36 6.959 10.649 -1.408 1.00 0.00 S ATOM 0 H CYS A 36 6.113 11.397 -5.042 1.00 0.00 H new ATOM 0 HA CYS A 36 5.765 12.896 -2.522 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.789 10.978 -3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.362 12.225 -2.540 1.00 0.00 H new ATOM 0 HG CYS A 36 8.005 10.234 -0.758 1.00 0.00 H new ATOM 464 N SER A 37 6.601 15.013 -3.479 1.00 0.00 N ATOM 465 CA SER A 37 7.136 16.282 -3.957 1.00 0.00 C ATOM 466 C SER A 37 7.711 17.098 -2.803 1.00 0.00 C ATOM 467 O SER A 37 8.851 17.559 -2.863 1.00 0.00 O ATOM 468 CB SER A 37 6.045 17.084 -4.669 1.00 0.00 C ATOM 469 OG SER A 37 4.820 17.022 -3.958 1.00 0.00 O ATOM 0 H SER A 37 5.859 15.103 -2.785 1.00 0.00 H new ATOM 0 HA SER A 37 7.938 16.067 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.359 18.123 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.904 16.696 -5.678 1.00 0.00 H new ATOM 0 HG SER A 37 4.140 17.544 -4.433 1.00 0.00 H new ATOM 475 N GLU A 38 6.914 17.272 -1.754 1.00 0.00 N ATOM 476 CA GLU A 38 7.343 18.033 -0.586 1.00 0.00 C ATOM 477 C GLU A 38 7.725 17.101 0.560 1.00 0.00 C ATOM 478 O GLU A 38 8.325 17.527 1.546 1.00 0.00 O ATOM 479 CB GLU A 38 6.234 18.986 -0.135 1.00 0.00 C ATOM 480 CG GLU A 38 6.212 20.299 -0.899 1.00 0.00 C ATOM 481 CD GLU A 38 7.558 20.998 -0.897 1.00 0.00 C ATOM 482 OE1 GLU A 38 8.318 20.817 0.078 1.00 0.00 O ATOM 483 OE2 GLU A 38 7.851 21.724 -1.869 1.00 0.00 O ATOM 0 H GLU A 38 5.968 16.897 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 38 8.221 18.615 -0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.270 18.490 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.357 19.196 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.906 20.111 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.464 20.958 -0.459 1.00 0.00 H new ATOM 490 N ALA A 39 7.373 15.827 0.421 1.00 0.00 N ATOM 491 CA ALA A 39 7.680 14.834 1.443 1.00 0.00 C ATOM 492 C ALA A 39 9.155 14.879 1.827 1.00 0.00 C ATOM 493 O ALA A 39 9.498 14.956 3.006 1.00 0.00 O ATOM 494 CB ALA A 39 7.301 13.442 0.958 1.00 0.00 C ATOM 0 H ALA A 39 6.875 15.458 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 39 7.093 15.070 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.536 12.711 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.233 13.410 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.862 13.207 0.054 1.00 0.00 H new ATOM 500 N GLY A 40 10.025 14.828 0.822 1.00 0.00 N ATOM 501 CA GLY A 40 11.453 14.863 1.076 1.00 0.00 C ATOM 502 C GLY A 40 12.111 13.512 0.874 1.00 0.00 C ATOM 503 O GLY A 40 11.597 12.647 0.165 1.00 0.00 O ATOM 0 H GLY A 40 9.766 14.763 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.919 15.593 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.629 15.200 2.097 1.00 0.00 H new ATOM 507 N PRO A 41 13.278 13.318 1.508 1.00 0.00 N ATOM 508 CA PRO A 41 14.032 12.065 1.409 1.00 0.00 C ATOM 509 C PRO A 41 13.338 10.912 2.126 1.00 0.00 C ATOM 510 O PRO A 41 12.152 10.989 2.442 1.00 0.00 O ATOM 511 CB PRO A 41 15.361 12.397 2.092 1.00 0.00 C ATOM 512 CG PRO A 41 15.038 13.507 3.031 1.00 0.00 C ATOM 513 CD PRO A 41 13.949 14.305 2.369 1.00 0.00 C ATOM 0 HA PRO A 41 14.138 11.734 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 41 15.760 11.533 2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.115 12.700 1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.707 13.119 3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.915 14.126 3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.263 14.733 3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.354 15.134 1.789 1.00 0.00 H new ATOM 521 N GLY A 42 14.086 9.842 2.380 1.00 0.00 N ATOM 522 CA GLY A 42 13.526 8.689 3.058 1.00 0.00 C ATOM 523 C GLY A 42 13.234 7.543 2.110 1.00 0.00 C ATOM 524 O GLY A 42 12.968 7.759 0.928 1.00 0.00 O ATOM 0 H GLY A 42 15.070 9.754 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.220 8.352 3.828 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.606 8.981 3.564 1.00 0.00 H new ATOM 528 N ALA A 43 13.286 6.320 2.627 1.00 0.00 N ATOM 529 CA ALA A 43 13.026 5.136 1.818 1.00 0.00 C ATOM 530 C ALA A 43 11.576 4.684 1.958 1.00 0.00 C ATOM 531 O ALA A 43 11.035 4.633 3.063 1.00 0.00 O ATOM 532 CB ALA A 43 13.972 4.011 2.210 1.00 0.00 C ATOM 0 H ALA A 43 13.506 6.123 3.603 1.00 0.00 H new ATOM 0 HA ALA A 43 13.200 5.394 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.767 3.133 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.002 4.330 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.826 3.763 3.261 1.00 0.00 H new ATOM 538 N LEU A 44 10.952 4.357 0.832 1.00 0.00 N ATOM 539 CA LEU A 44 9.564 3.909 0.828 1.00 0.00 C ATOM 540 C LEU A 44 9.481 2.391 0.944 1.00 0.00 C ATOM 541 O LEU A 44 10.256 1.667 0.320 1.00 0.00 O ATOM 542 CB LEU A 44 8.861 4.374 -0.448 1.00 0.00 C ATOM 543 CG LEU A 44 7.570 3.638 -0.809 1.00 0.00 C ATOM 544 CD1 LEU A 44 6.571 3.720 0.334 1.00 0.00 C ATOM 545 CD2 LEU A 44 6.970 4.209 -2.086 1.00 0.00 C ATOM 0 H LEU A 44 11.386 4.394 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 44 9.064 4.348 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.635 5.436 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.558 4.274 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 44 7.809 2.588 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.659 3.191 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.000 3.263 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.337 4.765 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.052 3.673 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.746 5.266 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.682 4.097 -2.904 1.00 0.00 H new ATOM 557 N GLY A 45 8.534 1.914 1.746 1.00 0.00 N ATOM 558 CA GLY A 45 8.366 0.484 1.927 1.00 0.00 C ATOM 559 C GLY A 45 6.931 0.103 2.231 1.00 0.00 C ATOM 560 O GLY A 45 6.324 0.633 3.163 1.00 0.00 O ATOM 0 H GLY A 45 7.880 2.492 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.693 -0.034 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.009 0.146 2.740 1.00 0.00 H new ATOM 564 N LEU A 46 6.385 -0.818 1.445 1.00 0.00 N ATOM 565 CA LEU A 46 5.011 -1.269 1.634 1.00 0.00 C ATOM 566 C LEU A 46 4.974 -2.717 2.114 1.00 0.00 C ATOM 567 O LEU A 46 5.765 -3.548 1.670 1.00 0.00 O ATOM 568 CB LEU A 46 4.224 -1.133 0.329 1.00 0.00 C ATOM 569 CG LEU A 46 2.746 -1.521 0.392 1.00 0.00 C ATOM 570 CD1 LEU A 46 1.897 -0.325 0.797 1.00 0.00 C ATOM 571 CD2 LEU A 46 2.283 -2.078 -0.946 1.00 0.00 C ATOM 0 H LEU A 46 6.873 -1.267 0.670 1.00 0.00 H new ATOM 0 HA LEU A 46 4.551 -0.640 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.293 -0.099 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.708 -1.748 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 46 2.626 -2.298 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.848 -0.620 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.212 0.029 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.022 0.474 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.229 -2.349 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.418 -1.323 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.870 -2.962 -1.195 1.00 0.00 H new ATOM 583 N GLU A 47 4.048 -3.010 3.022 1.00 0.00 N ATOM 584 CA GLU A 47 3.908 -4.358 3.561 1.00 0.00 C ATOM 585 C GLU A 47 2.455 -4.820 3.500 1.00 0.00 C ATOM 586 O GLU A 47 1.596 -4.298 4.210 1.00 0.00 O ATOM 587 CB GLU A 47 4.410 -4.409 5.005 1.00 0.00 C ATOM 588 CG GLU A 47 4.499 -5.817 5.570 1.00 0.00 C ATOM 589 CD GLU A 47 5.837 -6.474 5.290 1.00 0.00 C ATOM 590 OE1 GLU A 47 6.041 -6.944 4.151 1.00 0.00 O ATOM 591 OE2 GLU A 47 6.679 -6.518 6.211 1.00 0.00 O ATOM 0 H GLU A 47 3.385 -2.333 3.399 1.00 0.00 H new ATOM 0 HA GLU A 47 4.511 -5.030 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.394 -3.944 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.745 -3.816 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.333 -5.784 6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.703 -6.427 5.143 1.00 0.00 H new ATOM 598 N ALA A 48 2.187 -5.802 2.645 1.00 0.00 N ATOM 599 CA ALA A 48 0.840 -6.335 2.491 1.00 0.00 C ATOM 600 C ALA A 48 0.672 -7.635 3.271 1.00 0.00 C ATOM 601 O ALA A 48 1.492 -8.547 3.162 1.00 0.00 O ATOM 602 CB ALA A 48 0.524 -6.555 1.019 1.00 0.00 C ATOM 0 H ALA A 48 2.886 -6.244 2.048 1.00 0.00 H new ATOM 0 HA ALA A 48 0.139 -5.606 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.486 -6.953 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.594 -5.607 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.237 -7.263 0.596 1.00 0.00 H new ATOM 608 N VAL A 49 -0.396 -7.714 4.058 1.00 0.00 N ATOM 609 CA VAL A 49 -0.672 -8.903 4.856 1.00 0.00 C ATOM 610 C VAL A 49 -2.172 -9.133 4.999 1.00 0.00 C ATOM 611 O VAL A 49 -2.922 -8.217 5.338 1.00 0.00 O ATOM 612 CB VAL A 49 -0.044 -8.796 6.258 1.00 0.00 C ATOM 613 CG1 VAL A 49 -0.507 -9.946 7.140 1.00 0.00 C ATOM 614 CG2 VAL A 49 1.474 -8.765 6.161 1.00 0.00 C ATOM 0 H VAL A 49 -1.085 -6.969 4.160 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.227 -9.748 4.330 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.375 -7.863 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.053 -9.854 8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.592 -9.917 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.208 -10.893 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.901 -8.689 7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.827 -9.679 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.783 -7.904 5.568 1.00 0.00 H new ATOM 624 N SER A 50 -2.604 -10.363 4.738 1.00 0.00 N ATOM 625 CA SER A 50 -4.016 -10.713 4.834 1.00 0.00 C ATOM 626 C SER A 50 -4.425 -10.929 6.288 1.00 0.00 C ATOM 627 O SER A 50 -3.587 -11.219 7.143 1.00 0.00 O ATOM 628 CB SER A 50 -4.307 -11.974 4.018 1.00 0.00 C ATOM 629 OG SER A 50 -5.673 -12.036 3.644 1.00 0.00 O ATOM 0 H SER A 50 -1.996 -11.133 4.459 1.00 0.00 H new ATOM 0 HA SER A 50 -4.598 -9.885 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.682 -11.986 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.046 -12.857 4.602 1.00 0.00 H new ATOM 0 HG SER A 50 -5.833 -12.850 3.122 1.00 0.00 H new ATOM 635 N ASP A 51 -5.717 -10.786 6.560 1.00 0.00 N ATOM 636 CA ASP A 51 -6.238 -10.965 7.910 1.00 0.00 C ATOM 637 C ASP A 51 -5.744 -12.277 8.514 1.00 0.00 C ATOM 638 O ASP A 51 -5.285 -12.312 9.655 1.00 0.00 O ATOM 639 CB ASP A 51 -7.767 -10.940 7.897 1.00 0.00 C ATOM 640 CG ASP A 51 -8.353 -11.895 6.875 1.00 0.00 C ATOM 641 OD1 ASP A 51 -8.546 -11.477 5.715 1.00 0.00 O ATOM 642 OD2 ASP A 51 -8.619 -13.061 7.237 1.00 0.00 O ATOM 0 H ASP A 51 -6.423 -10.547 5.864 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.874 -10.142 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.140 -11.199 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.109 -9.928 7.682 1.00 0.00 H new ATOM 647 N SER A 52 -5.842 -13.353 7.739 1.00 0.00 N ATOM 648 CA SER A 52 -5.410 -14.667 8.199 1.00 0.00 C ATOM 649 C SER A 52 -3.895 -14.708 8.379 1.00 0.00 C ATOM 650 O SER A 52 -3.366 -15.563 9.089 1.00 0.00 O ATOM 651 CB SER A 52 -5.846 -15.747 7.207 1.00 0.00 C ATOM 652 OG SER A 52 -7.237 -15.666 6.945 1.00 0.00 O ATOM 0 H SER A 52 -6.217 -13.340 6.790 1.00 0.00 H new ATOM 0 HA SER A 52 -5.879 -14.859 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.290 -15.636 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.605 -16.732 7.607 1.00 0.00 H new ATOM 0 HG SER A 52 -7.553 -14.757 7.132 1.00 0.00 H new ATOM 658 N GLY A 53 -3.202 -13.778 7.729 1.00 0.00 N ATOM 659 CA GLY A 53 -1.756 -13.725 7.829 1.00 0.00 C ATOM 660 C GLY A 53 -1.069 -14.195 6.562 1.00 0.00 C ATOM 661 O GLY A 53 -0.077 -14.922 6.617 1.00 0.00 O ATOM 0 H GLY A 53 -3.617 -13.060 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.447 -12.703 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.430 -14.343 8.666 1.00 0.00 H new ATOM 665 N THR A 54 -1.598 -13.780 5.415 1.00 0.00 N ATOM 666 CA THR A 54 -1.032 -14.165 4.129 1.00 0.00 C ATOM 667 C THR A 54 -0.208 -13.031 3.530 1.00 0.00 C ATOM 668 O THR A 54 -0.750 -12.007 3.114 1.00 0.00 O ATOM 669 CB THR A 54 -2.132 -14.568 3.129 1.00 0.00 C ATOM 670 OG1 THR A 54 -3.005 -15.535 3.725 1.00 0.00 O ATOM 671 CG2 THR A 54 -1.525 -15.141 1.858 1.00 0.00 C ATOM 0 H THR A 54 -2.418 -13.177 5.351 1.00 0.00 H new ATOM 0 HA THR A 54 -0.386 -15.023 4.312 1.00 0.00 H new ATOM 0 HB THR A 54 -2.701 -13.675 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.989 -16.360 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.321 -15.418 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.884 -14.393 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.934 -16.023 2.103 1.00 0.00 H new ATOM 679 N LYS A 55 1.107 -13.221 3.487 1.00 0.00 N ATOM 680 CA LYS A 55 2.008 -12.215 2.937 1.00 0.00 C ATOM 681 C LYS A 55 1.918 -12.179 1.414 1.00 0.00 C ATOM 682 O LYS A 55 2.055 -13.206 0.751 1.00 0.00 O ATOM 683 CB LYS A 55 3.448 -12.501 3.366 1.00 0.00 C ATOM 684 CG LYS A 55 3.659 -12.439 4.869 1.00 0.00 C ATOM 685 CD LYS A 55 4.868 -13.254 5.297 1.00 0.00 C ATOM 686 CE LYS A 55 5.137 -13.111 6.788 1.00 0.00 C ATOM 687 NZ LYS A 55 5.521 -11.719 7.151 1.00 0.00 N ATOM 0 H LYS A 55 1.572 -14.063 3.827 1.00 0.00 H new ATOM 0 HA LYS A 55 1.706 -11.242 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.735 -13.490 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.111 -11.782 2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.791 -11.402 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.770 -12.811 5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.705 -14.304 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.744 -12.930 4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.247 -13.400 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.933 -13.795 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.937 -11.711 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.217 -11.361 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.677 -11.111 7.137 1.00 0.00 H new ATOM 701 N ALA A 56 1.688 -10.989 0.868 1.00 0.00 N ATOM 702 CA ALA A 56 1.584 -10.820 -0.576 1.00 0.00 C ATOM 703 C ALA A 56 2.875 -10.253 -1.157 1.00 0.00 C ATOM 704 O ALA A 56 3.607 -9.533 -0.479 1.00 0.00 O ATOM 705 CB ALA A 56 0.408 -9.916 -0.917 1.00 0.00 C ATOM 0 H ALA A 56 1.570 -10.129 1.403 1.00 0.00 H new ATOM 0 HA ALA A 56 1.416 -11.801 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.341 -9.798 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.514 -10.362 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.553 -8.940 -0.454 1.00 0.00 H new ATOM 711 N GLU A 57 3.147 -10.585 -2.415 1.00 0.00 N ATOM 712 CA GLU A 57 4.352 -10.110 -3.086 1.00 0.00 C ATOM 713 C GLU A 57 4.278 -8.606 -3.335 1.00 0.00 C ATOM 714 O GLU A 57 3.353 -8.117 -3.983 1.00 0.00 O ATOM 715 CB GLU A 57 4.550 -10.848 -4.411 1.00 0.00 C ATOM 716 CG GLU A 57 5.401 -12.101 -4.288 1.00 0.00 C ATOM 717 CD GLU A 57 5.014 -13.170 -5.292 1.00 0.00 C ATOM 718 OE1 GLU A 57 4.715 -12.814 -6.451 1.00 0.00 O ATOM 719 OE2 GLU A 57 5.009 -14.362 -4.918 1.00 0.00 O ATOM 0 H GLU A 57 2.550 -11.180 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 57 5.203 -10.312 -2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.575 -11.119 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.015 -10.172 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.450 -11.839 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.305 -12.503 -3.279 1.00 0.00 H new ATOM 726 N VAL A 58 5.261 -7.877 -2.816 1.00 0.00 N ATOM 727 CA VAL A 58 5.310 -6.429 -2.982 1.00 0.00 C ATOM 728 C VAL A 58 6.620 -5.994 -3.629 1.00 0.00 C ATOM 729 O VAL A 58 7.677 -6.563 -3.358 1.00 0.00 O ATOM 730 CB VAL A 58 5.150 -5.704 -1.633 1.00 0.00 C ATOM 731 CG1 VAL A 58 5.201 -4.196 -1.827 1.00 0.00 C ATOM 732 CG2 VAL A 58 3.852 -6.119 -0.956 1.00 0.00 C ATOM 0 H VAL A 58 6.035 -8.266 -2.277 1.00 0.00 H new ATOM 0 HA VAL A 58 4.479 -6.157 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 58 5.979 -5.991 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.086 -3.701 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.159 -3.918 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.394 -3.887 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.755 -5.597 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.009 -5.863 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.861 -7.195 -0.781 1.00 0.00 H new ATOM 742 N SER A 59 6.542 -4.980 -4.485 1.00 0.00 N ATOM 743 CA SER A 59 7.722 -4.469 -5.173 1.00 0.00 C ATOM 744 C SER A 59 7.622 -2.960 -5.376 1.00 0.00 C ATOM 745 O SER A 59 6.575 -2.444 -5.769 1.00 0.00 O ATOM 746 CB SER A 59 7.891 -5.166 -6.524 1.00 0.00 C ATOM 747 OG SER A 59 9.047 -4.699 -7.198 1.00 0.00 O ATOM 0 H SER A 59 5.675 -4.496 -4.719 1.00 0.00 H new ATOM 0 HA SER A 59 8.593 -4.678 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.964 -6.243 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.010 -4.989 -7.141 1.00 0.00 H new ATOM 0 HG SER A 59 9.133 -5.161 -8.058 1.00 0.00 H new ATOM 753 N ILE A 60 8.718 -2.259 -5.105 1.00 0.00 N ATOM 754 CA ILE A 60 8.754 -0.810 -5.258 1.00 0.00 C ATOM 755 C ILE A 60 9.708 -0.399 -6.374 1.00 0.00 C ATOM 756 O ILE A 60 10.815 -0.927 -6.483 1.00 0.00 O ATOM 757 CB ILE A 60 9.182 -0.117 -3.951 1.00 0.00 C ATOM 758 CG1 ILE A 60 8.431 -0.715 -2.760 1.00 0.00 C ATOM 759 CG2 ILE A 60 8.935 1.382 -4.041 1.00 0.00 C ATOM 760 CD1 ILE A 60 9.175 -0.588 -1.450 1.00 0.00 C ATOM 0 H ILE A 60 9.592 -2.671 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 60 7.742 -0.494 -5.513 1.00 0.00 H new ATOM 0 HB ILE A 60 10.249 -0.282 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.463 -0.223 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.235 -1.769 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.242 1.858 -3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.511 1.797 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.874 1.566 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.583 -1.033 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.132 -1.104 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.347 0.466 -1.230 1.00 0.00 H new ATOM 772 N GLN A 61 9.272 0.546 -7.200 1.00 0.00 N ATOM 773 CA GLN A 61 10.088 1.028 -8.308 1.00 0.00 C ATOM 774 C GLN A 61 10.114 2.553 -8.341 1.00 0.00 C ATOM 775 O GLN A 61 9.082 3.204 -8.187 1.00 0.00 O ATOM 776 CB GLN A 61 9.556 0.486 -9.635 1.00 0.00 C ATOM 777 CG GLN A 61 10.633 0.296 -10.691 1.00 0.00 C ATOM 778 CD GLN A 61 11.216 1.610 -11.173 1.00 0.00 C ATOM 779 OE1 GLN A 61 12.366 1.936 -10.880 1.00 0.00 O ATOM 780 NE2 GLN A 61 10.424 2.371 -11.918 1.00 0.00 N ATOM 0 H GLN A 61 8.358 0.993 -7.123 1.00 0.00 H new ATOM 0 HA GLN A 61 11.106 0.668 -8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.062 -0.469 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.799 1.169 -10.019 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.432 -0.323 -10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.213 -0.244 -11.540 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.477 2.061 -12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.762 3.266 -12.272 1.00 0.00 H new ATOM 858 N THR A 67 8.272 9.869 -8.659 1.00 0.00 N ATOM 859 CA THR A 67 7.148 9.067 -8.193 1.00 0.00 C ATOM 860 C THR A 67 7.551 7.608 -8.011 1.00 0.00 C ATOM 861 O THR A 67 8.516 7.140 -8.617 1.00 0.00 O ATOM 862 CB THR A 67 5.960 9.141 -9.171 1.00 0.00 C ATOM 863 OG1 THR A 67 6.439 9.316 -10.509 1.00 0.00 O ATOM 864 CG2 THR A 67 5.030 10.288 -8.806 1.00 0.00 C ATOM 0 HA THR A 67 6.843 9.480 -7.231 1.00 0.00 H new ATOM 0 HB THR A 67 5.402 8.207 -9.104 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.332 9.719 -10.487 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.199 10.321 -9.510 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.645 10.138 -7.797 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.579 11.229 -8.849 1.00 0.00 H new ATOM 872 N TYR A 68 6.807 6.893 -7.174 1.00 0.00 N ATOM 873 CA TYR A 68 7.089 5.487 -6.912 1.00 0.00 C ATOM 874 C TYR A 68 5.934 4.604 -7.375 1.00 0.00 C ATOM 875 O TYR A 68 4.766 4.919 -7.144 1.00 0.00 O ATOM 876 CB TYR A 68 7.348 5.267 -5.420 1.00 0.00 C ATOM 877 CG TYR A 68 8.617 5.920 -4.923 1.00 0.00 C ATOM 878 CD1 TYR A 68 9.841 5.268 -5.018 1.00 0.00 C ATOM 879 CD2 TYR A 68 8.593 7.189 -4.358 1.00 0.00 C ATOM 880 CE1 TYR A 68 11.003 5.861 -4.564 1.00 0.00 C ATOM 881 CE2 TYR A 68 9.751 7.790 -3.903 1.00 0.00 C ATOM 882 CZ TYR A 68 10.953 7.122 -4.008 1.00 0.00 C ATOM 883 OH TYR A 68 12.108 7.717 -3.555 1.00 0.00 O ATOM 0 H TYR A 68 6.004 7.264 -6.666 1.00 0.00 H new ATOM 0 HA TYR A 68 7.981 5.211 -7.474 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.503 5.656 -4.852 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.399 4.196 -5.223 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.884 4.281 -5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.653 7.715 -4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 68 11.946 5.340 -4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.715 8.778 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 68 11.899 8.604 -3.193 1.00 0.00 H new ATOM 893 N ALA A 69 6.269 3.497 -8.028 1.00 0.00 N ATOM 894 CA ALA A 69 5.261 2.566 -8.522 1.00 0.00 C ATOM 895 C ALA A 69 5.190 1.320 -7.647 1.00 0.00 C ATOM 896 O ALA A 69 5.962 0.377 -7.827 1.00 0.00 O ATOM 897 CB ALA A 69 5.557 2.185 -9.965 1.00 0.00 C ATOM 0 H ALA A 69 7.231 3.222 -8.228 1.00 0.00 H new ATOM 0 HA ALA A 69 4.291 3.062 -8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.797 1.490 -10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.549 3.080 -10.587 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.537 1.712 -10.023 1.00 0.00 H new ATOM 903 N VAL A 70 4.260 1.320 -6.698 1.00 0.00 N ATOM 904 CA VAL A 70 4.088 0.189 -5.795 1.00 0.00 C ATOM 905 C VAL A 70 2.976 -0.736 -6.278 1.00 0.00 C ATOM 906 O VAL A 70 1.932 -0.280 -6.745 1.00 0.00 O ATOM 907 CB VAL A 70 3.765 0.657 -4.363 1.00 0.00 C ATOM 908 CG1 VAL A 70 3.225 -0.497 -3.533 1.00 0.00 C ATOM 909 CG2 VAL A 70 4.998 1.263 -3.711 1.00 0.00 C ATOM 0 H VAL A 70 3.613 2.092 -6.535 1.00 0.00 H new ATOM 0 HA VAL A 70 5.032 -0.355 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 70 2.994 1.426 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.003 -0.147 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.314 -0.881 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.970 -1.291 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.752 1.588 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.791 0.517 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.335 2.119 -4.296 1.00 0.00 H new ATOM 919 N THR A 71 3.207 -2.040 -6.163 1.00 0.00 N ATOM 920 CA THR A 71 2.226 -3.030 -6.588 1.00 0.00 C ATOM 921 C THR A 71 2.196 -4.220 -5.635 1.00 0.00 C ATOM 922 O THR A 71 3.215 -4.581 -5.046 1.00 0.00 O ATOM 923 CB THR A 71 2.519 -3.536 -8.013 1.00 0.00 C ATOM 924 OG1 THR A 71 3.071 -2.478 -8.804 1.00 0.00 O ATOM 925 CG2 THR A 71 1.253 -4.061 -8.673 1.00 0.00 C ATOM 0 H THR A 71 4.065 -2.435 -5.779 1.00 0.00 H new ATOM 0 HA THR A 71 1.255 -2.536 -6.578 1.00 0.00 H new ATOM 0 HB THR A 71 3.238 -4.352 -7.944 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.256 -2.808 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.486 -4.413 -9.678 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.851 -4.885 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.514 -3.262 -8.730 1.00 0.00 H new ATOM 933 N TYR A 72 1.023 -4.825 -5.489 1.00 0.00 N ATOM 934 CA TYR A 72 0.861 -5.974 -4.605 1.00 0.00 C ATOM 935 C TYR A 72 -0.025 -7.036 -5.249 1.00 0.00 C ATOM 936 O TYR A 72 -1.113 -6.737 -5.744 1.00 0.00 O ATOM 937 CB TYR A 72 0.261 -5.535 -3.269 1.00 0.00 C ATOM 938 CG TYR A 72 -1.239 -5.348 -3.310 1.00 0.00 C ATOM 939 CD1 TYR A 72 -2.097 -6.440 -3.260 1.00 0.00 C ATOM 940 CD2 TYR A 72 -1.798 -4.079 -3.399 1.00 0.00 C ATOM 941 CE1 TYR A 72 -3.468 -6.273 -3.298 1.00 0.00 C ATOM 942 CE2 TYR A 72 -3.168 -3.903 -3.437 1.00 0.00 C ATOM 943 CZ TYR A 72 -3.998 -5.003 -3.387 1.00 0.00 C ATOM 944 OH TYR A 72 -5.363 -4.833 -3.424 1.00 0.00 O ATOM 0 H TYR A 72 0.170 -4.540 -5.971 1.00 0.00 H new ATOM 0 HA TYR A 72 1.846 -6.407 -4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.505 -6.277 -2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.727 -4.599 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.685 -7.436 -3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.151 -3.215 -3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.121 -7.132 -3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.586 -2.910 -3.505 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.579 -3.887 -3.285 1.00 0.00 H new ATOM 954 N VAL A 73 0.448 -8.278 -5.239 1.00 0.00 N ATOM 955 CA VAL A 73 -0.301 -9.386 -5.820 1.00 0.00 C ATOM 956 C VAL A 73 -0.767 -10.359 -4.743 1.00 0.00 C ATOM 957 O VAL A 73 -0.002 -11.183 -4.243 1.00 0.00 O ATOM 958 CB VAL A 73 0.543 -10.151 -6.857 1.00 0.00 C ATOM 959 CG1 VAL A 73 -0.195 -11.393 -7.334 1.00 0.00 C ATOM 960 CG2 VAL A 73 0.894 -9.247 -8.029 1.00 0.00 C ATOM 0 H VAL A 73 1.346 -8.542 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.170 -8.955 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 73 1.471 -10.469 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.416 -11.921 -8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.391 -12.048 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.140 -11.101 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.490 -9.804 -8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.022 -8.898 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.465 -8.391 -7.670 1.00 0.00 H new ATOM 970 N PRO A 74 -2.054 -10.264 -4.376 1.00 0.00 N ATOM 971 CA PRO A 74 -2.652 -11.129 -3.355 1.00 0.00 C ATOM 972 C PRO A 74 -2.792 -12.572 -3.827 1.00 0.00 C ATOM 973 O PRO A 74 -3.258 -12.830 -4.937 1.00 0.00 O ATOM 974 CB PRO A 74 -4.031 -10.505 -3.125 1.00 0.00 C ATOM 975 CG PRO A 74 -4.342 -9.794 -4.397 1.00 0.00 C ATOM 976 CD PRO A 74 -3.024 -9.304 -4.930 1.00 0.00 C ATOM 0 HA PRO A 74 -2.038 -11.183 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.779 -11.267 -2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.018 -9.817 -2.280 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.827 -10.462 -5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.026 -8.963 -4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.008 -9.300 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.812 -8.286 -4.604 1.00 0.00 H new ATOM 984 N LEU A 75 -2.386 -13.509 -2.977 1.00 0.00 N ATOM 985 CA LEU A 75 -2.467 -14.928 -3.308 1.00 0.00 C ATOM 986 C LEU A 75 -3.831 -15.497 -2.932 1.00 0.00 C ATOM 987 O LEU A 75 -4.400 -16.310 -3.662 1.00 0.00 O ATOM 988 CB LEU A 75 -1.362 -15.703 -2.588 1.00 0.00 C ATOM 989 CG LEU A 75 0.064 -15.447 -3.075 1.00 0.00 C ATOM 990 CD1 LEU A 75 1.074 -16.061 -2.118 1.00 0.00 C ATOM 991 CD2 LEU A 75 0.255 -15.998 -4.481 1.00 0.00 C ATOM 0 H LEU A 75 -1.998 -13.312 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.334 -15.034 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.410 -15.463 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.571 -16.768 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 75 0.229 -14.370 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.083 -15.868 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.954 -15.619 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.910 -17.137 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.276 -15.807 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.070 -17.072 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.444 -15.510 -5.161 1.00 0.00 H new ATOM 1003 N THR A 76 -4.353 -15.065 -1.789 1.00 0.00 N ATOM 1004 CA THR A 76 -5.651 -15.530 -1.316 1.00 0.00 C ATOM 1005 C THR A 76 -6.598 -14.361 -1.071 1.00 0.00 C ATOM 1006 O THR A 76 -6.194 -13.321 -0.554 1.00 0.00 O ATOM 1007 CB THR A 76 -5.516 -16.348 -0.018 1.00 0.00 C ATOM 1008 OG1 THR A 76 -6.799 -16.833 0.391 1.00 0.00 O ATOM 1009 CG2 THR A 76 -4.909 -15.504 1.093 1.00 0.00 C ATOM 0 H THR A 76 -3.896 -14.393 -1.173 1.00 0.00 H new ATOM 0 HA THR A 76 -6.062 -16.169 -2.098 1.00 0.00 H new ATOM 0 HB THR A 76 -4.855 -17.192 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.704 -17.353 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.824 -16.103 2.000 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.920 -15.161 0.790 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.548 -14.643 1.286 1.00 0.00 H new ATOM 1017 N ALA A 77 -7.861 -14.541 -1.444 1.00 0.00 N ATOM 1018 CA ALA A 77 -8.867 -13.502 -1.262 1.00 0.00 C ATOM 1019 C ALA A 77 -9.100 -13.217 0.218 1.00 0.00 C ATOM 1020 O ALA A 77 -8.734 -14.016 1.079 1.00 0.00 O ATOM 1021 CB ALA A 77 -10.170 -13.904 -1.936 1.00 0.00 C ATOM 0 H ALA A 77 -8.212 -15.397 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.498 -12.588 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.912 -13.118 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.998 -14.049 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.535 -14.833 -1.497 1.00 0.00 H new ATOM 1027 N GLY A 78 -9.712 -12.073 0.506 1.00 0.00 N ATOM 1028 CA GLY A 78 -9.983 -11.703 1.883 1.00 0.00 C ATOM 1029 C GLY A 78 -9.548 -10.286 2.200 1.00 0.00 C ATOM 1030 O GLY A 78 -8.954 -9.610 1.360 1.00 0.00 O ATOM 0 H GLY A 78 -10.025 -11.396 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.050 -11.805 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.469 -12.395 2.550 1.00 0.00 H new ATOM 1034 N MET A 79 -9.844 -9.834 3.414 1.00 0.00 N ATOM 1035 CA MET A 79 -9.480 -8.488 3.838 1.00 0.00 C ATOM 1036 C MET A 79 -7.974 -8.374 4.051 1.00 0.00 C ATOM 1037 O MET A 79 -7.390 -9.121 4.837 1.00 0.00 O ATOM 1038 CB MET A 79 -10.218 -8.118 5.126 1.00 0.00 C ATOM 1039 CG MET A 79 -11.717 -7.946 4.940 1.00 0.00 C ATOM 1040 SD MET A 79 -12.123 -6.712 3.689 1.00 0.00 S ATOM 1041 CE MET A 79 -11.701 -5.201 4.553 1.00 0.00 C ATOM 0 H MET A 79 -10.335 -10.381 4.121 1.00 0.00 H new ATOM 0 HA MET A 79 -9.772 -7.795 3.049 1.00 0.00 H new ATOM 0 HB2 MET A 79 -10.039 -8.892 5.872 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.801 -7.192 5.521 1.00 0.00 H new ATOM 0 HG2 MET A 79 -12.157 -8.903 4.658 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.167 -7.657 5.890 1.00 0.00 H new ATOM 0 HE1 MET A 79 -12.500 -4.472 4.422 1.00 0.00 H new ATOM 0 HE2 MET A 79 -11.573 -5.413 5.615 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.772 -4.798 4.149 1.00 0.00 H new ATOM 1051 N TYR A 80 -7.351 -7.435 3.347 1.00 0.00 N ATOM 1052 CA TYR A 80 -5.912 -7.226 3.457 1.00 0.00 C ATOM 1053 C TYR A 80 -5.605 -5.960 4.251 1.00 0.00 C ATOM 1054 O TYR A 80 -6.411 -5.030 4.296 1.00 0.00 O ATOM 1055 CB TYR A 80 -5.280 -7.136 2.067 1.00 0.00 C ATOM 1056 CG TYR A 80 -4.833 -8.472 1.518 1.00 0.00 C ATOM 1057 CD1 TYR A 80 -3.614 -9.025 1.889 1.00 0.00 C ATOM 1058 CD2 TYR A 80 -5.629 -9.180 0.626 1.00 0.00 C ATOM 1059 CE1 TYR A 80 -3.201 -10.245 1.389 1.00 0.00 C ATOM 1060 CE2 TYR A 80 -5.225 -10.401 0.122 1.00 0.00 C ATOM 1061 CZ TYR A 80 -4.010 -10.929 0.507 1.00 0.00 C ATOM 1062 OH TYR A 80 -3.603 -12.144 0.006 1.00 0.00 O ATOM 0 H TYR A 80 -7.820 -6.807 2.694 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.486 -8.078 3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -5.999 -6.692 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.422 -6.465 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.978 -8.492 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.580 -8.769 0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.250 -10.660 1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.857 -10.939 -0.569 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.388 -12.677 -0.237 1.00 0.00 H new ATOM 1072 N THR A 81 -4.432 -5.930 4.875 1.00 0.00 N ATOM 1073 CA THR A 81 -4.016 -4.780 5.668 1.00 0.00 C ATOM 1074 C THR A 81 -2.745 -4.154 5.104 1.00 0.00 C ATOM 1075 O THR A 81 -1.635 -4.572 5.438 1.00 0.00 O ATOM 1076 CB THR A 81 -3.775 -5.168 7.139 1.00 0.00 C ATOM 1077 OG1 THR A 81 -4.929 -5.833 7.665 1.00 0.00 O ATOM 1078 CG2 THR A 81 -3.466 -3.938 7.979 1.00 0.00 C ATOM 0 H THR A 81 -3.752 -6.690 4.846 1.00 0.00 H new ATOM 0 HA THR A 81 -4.828 -4.054 5.621 1.00 0.00 H new ATOM 0 HB THR A 81 -2.918 -5.841 7.179 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.768 -6.078 8.600 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.299 -4.237 9.014 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.571 -3.450 7.594 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.306 -3.245 7.932 1.00 0.00 H new ATOM 1086 N LEU A 82 -2.913 -3.152 4.249 1.00 0.00 N ATOM 1087 CA LEU A 82 -1.778 -2.468 3.640 1.00 0.00 C ATOM 1088 C LEU A 82 -1.044 -1.611 4.666 1.00 0.00 C ATOM 1089 O LEU A 82 -1.633 -0.727 5.289 1.00 0.00 O ATOM 1090 CB LEU A 82 -2.249 -1.596 2.474 1.00 0.00 C ATOM 1091 CG LEU A 82 -3.286 -2.224 1.543 1.00 0.00 C ATOM 1092 CD1 LEU A 82 -4.002 -1.149 0.740 1.00 0.00 C ATOM 1093 CD2 LEU A 82 -2.628 -3.236 0.616 1.00 0.00 C ATOM 0 H LEU A 82 -3.824 -2.795 3.962 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.088 -3.224 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.666 -0.675 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.379 -1.317 1.880 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.024 -2.746 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.736 -1.614 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.507 -0.463 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.277 -0.598 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.382 -3.673 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.868 -2.738 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.162 -4.023 1.209 1.00 0.00 H new ATOM 1105 N THR A 83 0.248 -1.876 4.836 1.00 0.00 N ATOM 1106 CA THR A 83 1.063 -1.130 5.785 1.00 0.00 C ATOM 1107 C THR A 83 2.245 -0.463 5.090 1.00 0.00 C ATOM 1108 O THR A 83 3.203 -1.129 4.698 1.00 0.00 O ATOM 1109 CB THR A 83 1.592 -2.040 6.910 1.00 0.00 C ATOM 1110 OG1 THR A 83 0.521 -2.824 7.449 1.00 0.00 O ATOM 1111 CG2 THR A 83 2.231 -1.216 8.018 1.00 0.00 C ATOM 0 H THR A 83 0.752 -2.603 4.328 1.00 0.00 H new ATOM 0 HA THR A 83 0.420 -0.364 6.219 1.00 0.00 H new ATOM 0 HB THR A 83 2.349 -2.700 6.488 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.865 -3.401 8.162 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.597 -1.880 8.801 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.063 -0.642 7.611 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.491 -0.534 8.437 1.00 0.00 H new ATOM 1119 N MET A 84 2.170 0.856 4.940 1.00 0.00 N ATOM 1120 CA MET A 84 3.235 1.612 4.293 1.00 0.00 C ATOM 1121 C MET A 84 3.966 2.494 5.301 1.00 0.00 C ATOM 1122 O MET A 84 3.349 3.079 6.192 1.00 0.00 O ATOM 1123 CB MET A 84 2.666 2.473 3.164 1.00 0.00 C ATOM 1124 CG MET A 84 3.731 3.078 2.264 1.00 0.00 C ATOM 1125 SD MET A 84 3.040 4.177 1.012 1.00 0.00 S ATOM 1126 CE MET A 84 2.788 3.031 -0.341 1.00 0.00 C ATOM 0 H MET A 84 1.383 1.422 5.258 1.00 0.00 H new ATOM 0 HA MET A 84 3.947 0.901 3.874 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.993 1.865 2.559 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.069 3.276 3.596 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.445 3.632 2.874 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.284 2.277 1.773 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.142 3.480 -1.269 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.342 2.112 -0.148 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.726 2.802 -0.431 1.00 0.00 H new ATOM 1136 N LYS A 85 5.283 2.585 5.156 1.00 0.00 N ATOM 1137 CA LYS A 85 6.098 3.396 6.053 1.00 0.00 C ATOM 1138 C LYS A 85 7.200 4.118 5.284 1.00 0.00 C ATOM 1139 O LYS A 85 8.049 3.485 4.656 1.00 0.00 O ATOM 1140 CB LYS A 85 6.715 2.520 7.147 1.00 0.00 C ATOM 1141 CG LYS A 85 5.836 2.376 8.377 1.00 0.00 C ATOM 1142 CD LYS A 85 6.638 1.919 9.584 1.00 0.00 C ATOM 1143 CE LYS A 85 5.777 1.131 10.559 1.00 0.00 C ATOM 1144 NZ LYS A 85 6.467 0.918 11.862 1.00 0.00 N ATOM 0 H LYS A 85 5.810 2.107 4.425 1.00 0.00 H new ATOM 0 HA LYS A 85 5.452 4.143 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.918 1.530 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.674 2.945 7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.357 3.330 8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.040 1.659 8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.474 1.302 9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.062 2.786 10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.840 1.662 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.523 0.166 10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.847 0.377 12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.349 0.389 11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.687 1.839 12.293 1.00 0.00 H new ATOM 1158 N TYR A 86 7.181 5.445 5.338 1.00 0.00 N ATOM 1159 CA TYR A 86 8.177 6.252 4.645 1.00 0.00 C ATOM 1160 C TYR A 86 9.283 6.691 5.601 1.00 0.00 C ATOM 1161 O TYR A 86 9.015 7.255 6.660 1.00 0.00 O ATOM 1162 CB TYR A 86 7.519 7.479 4.011 1.00 0.00 C ATOM 1163 CG TYR A 86 8.328 8.088 2.888 1.00 0.00 C ATOM 1164 CD1 TYR A 86 8.626 7.356 1.745 1.00 0.00 C ATOM 1165 CD2 TYR A 86 8.794 9.394 2.969 1.00 0.00 C ATOM 1166 CE1 TYR A 86 9.366 7.908 0.716 1.00 0.00 C ATOM 1167 CE2 TYR A 86 9.532 9.955 1.945 1.00 0.00 C ATOM 1168 CZ TYR A 86 9.816 9.208 0.821 1.00 0.00 C ATOM 1169 OH TYR A 86 10.552 9.761 -0.202 1.00 0.00 O ATOM 0 H TYR A 86 6.486 5.984 5.855 1.00 0.00 H new ATOM 0 HA TYR A 86 8.621 5.640 3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.537 7.198 3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.357 8.233 4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.274 6.339 1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 86 8.575 9.981 3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.591 7.325 -0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 86 9.885 10.973 2.024 1.00 0.00 H new ATOM 0 HH TYR A 86 10.818 10.672 0.042 1.00 0.00 H new ATOM 1179 N GLY A 87 10.528 6.427 5.216 1.00 0.00 N ATOM 1180 CA GLY A 87 11.657 6.801 6.048 1.00 0.00 C ATOM 1181 C GLY A 87 11.545 6.252 7.457 1.00 0.00 C ATOM 1182 O GLY A 87 12.254 6.693 8.360 1.00 0.00 O ATOM 0 H GLY A 87 10.775 5.961 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.577 6.437 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.730 7.888 6.089 1.00 0.00 H new ATOM 1186 N GLY A 88 10.650 5.287 7.646 1.00 0.00 N ATOM 1187 CA GLY A 88 10.463 4.695 8.957 1.00 0.00 C ATOM 1188 C GLY A 88 9.289 5.297 9.703 1.00 0.00 C ATOM 1189 O GLY A 88 9.193 5.175 10.924 1.00 0.00 O ATOM 0 H GLY A 88 10.051 4.905 6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.309 3.621 8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.371 4.829 9.545 1.00 0.00 H new ATOM 1193 N GLU A 89 8.394 5.949 8.968 1.00 0.00 N ATOM 1194 CA GLU A 89 7.222 6.574 9.569 1.00 0.00 C ATOM 1195 C GLU A 89 5.961 6.244 8.775 1.00 0.00 C ATOM 1196 O GLU A 89 5.971 6.246 7.543 1.00 0.00 O ATOM 1197 CB GLU A 89 7.407 8.091 9.644 1.00 0.00 C ATOM 1198 CG GLU A 89 8.670 8.515 10.375 1.00 0.00 C ATOM 1199 CD GLU A 89 8.441 8.728 11.859 1.00 0.00 C ATOM 1200 OE1 GLU A 89 7.509 8.109 12.411 1.00 0.00 O ATOM 1201 OE2 GLU A 89 9.196 9.515 12.467 1.00 0.00 O ATOM 0 H GLU A 89 8.458 6.058 7.956 1.00 0.00 H new ATOM 0 HA GLU A 89 7.109 6.178 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.429 8.496 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.543 8.530 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.439 7.755 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.049 9.437 9.934 1.00 0.00 H new ATOM 1208 N LEU A 90 4.877 5.959 9.489 1.00 0.00 N ATOM 1209 CA LEU A 90 3.608 5.626 8.852 1.00 0.00 C ATOM 1210 C LEU A 90 3.051 6.823 8.088 1.00 0.00 C ATOM 1211 O LEU A 90 3.208 7.969 8.509 1.00 0.00 O ATOM 1212 CB LEU A 90 2.596 5.159 9.900 1.00 0.00 C ATOM 1213 CG LEU A 90 2.559 3.656 10.174 1.00 0.00 C ATOM 1214 CD1 LEU A 90 1.538 3.335 11.255 1.00 0.00 C ATOM 1215 CD2 LEU A 90 2.247 2.888 8.898 1.00 0.00 C ATOM 0 H LEU A 90 4.852 5.952 10.509 1.00 0.00 H new ATOM 0 HA LEU A 90 3.787 4.818 8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.810 5.674 10.837 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.602 5.475 9.582 1.00 0.00 H new ATOM 0 HG LEU A 90 3.542 3.347 10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.526 2.260 11.436 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.806 3.855 12.175 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.549 3.659 10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.225 1.820 9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.276 3.201 8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.016 3.093 8.153 1.00 0.00 H new ATOM 1227 N VAL A 91 2.396 6.549 6.964 1.00 0.00 N ATOM 1228 CA VAL A 91 1.812 7.603 6.143 1.00 0.00 C ATOM 1229 C VAL A 91 0.335 7.795 6.465 1.00 0.00 C ATOM 1230 O VAL A 91 -0.321 6.923 7.035 1.00 0.00 O ATOM 1231 CB VAL A 91 1.963 7.293 4.642 1.00 0.00 C ATOM 1232 CG1 VAL A 91 3.246 7.902 4.096 1.00 0.00 C ATOM 1233 CG2 VAL A 91 1.932 5.791 4.402 1.00 0.00 C ATOM 0 H VAL A 91 2.257 5.606 6.601 1.00 0.00 H new ATOM 0 HA VAL A 91 2.353 8.521 6.373 1.00 0.00 H new ATOM 0 HB VAL A 91 1.123 7.740 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.335 7.672 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.222 8.983 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.101 7.488 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.040 5.591 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.751 5.319 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.983 5.386 4.753 1.00 0.00 H new ATOM 1243 N PRO A 92 -0.204 8.966 6.093 1.00 0.00 N ATOM 1244 CA PRO A 92 -1.611 9.301 6.332 1.00 0.00 C ATOM 1245 C PRO A 92 -2.558 8.477 5.465 1.00 0.00 C ATOM 1246 O PRO A 92 -3.773 8.678 5.491 1.00 0.00 O ATOM 1247 CB PRO A 92 -1.692 10.782 5.954 1.00 0.00 C ATOM 1248 CG PRO A 92 -0.580 10.987 4.984 1.00 0.00 C ATOM 1249 CD PRO A 92 0.518 10.052 5.410 1.00 0.00 C ATOM 0 HA PRO A 92 -1.911 9.092 7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.656 11.024 5.508 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.576 11.421 6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.905 10.770 3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.238 12.022 4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.085 9.682 4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.228 10.543 6.075 1.00 0.00 H new ATOM 1257 N HIS A 93 -1.995 7.549 4.698 1.00 0.00 N ATOM 1258 CA HIS A 93 -2.790 6.694 3.824 1.00 0.00 C ATOM 1259 C HIS A 93 -2.689 5.233 4.255 1.00 0.00 C ATOM 1260 O HIS A 93 -3.191 4.339 3.574 1.00 0.00 O ATOM 1261 CB HIS A 93 -2.330 6.843 2.374 1.00 0.00 C ATOM 1262 CG HIS A 93 -2.210 8.268 1.927 1.00 0.00 C ATOM 1263 ND1 HIS A 93 -3.087 8.855 1.041 1.00 0.00 N ATOM 1264 CD2 HIS A 93 -1.309 9.224 2.252 1.00 0.00 C ATOM 1265 CE1 HIS A 93 -2.730 10.111 0.838 1.00 0.00 C ATOM 1266 NE2 HIS A 93 -1.654 10.360 1.562 1.00 0.00 N ATOM 0 H HIS A 93 -0.991 7.370 4.664 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.832 7.006 3.901 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.365 6.351 2.255 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.034 6.325 1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.474 9.114 2.928 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.233 10.814 0.190 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.160 11.251 1.602 1.00 0.00 H new ATOM 1275 N PHE A 94 -2.036 4.999 5.388 1.00 0.00 N ATOM 1276 CA PHE A 94 -1.867 3.648 5.908 1.00 0.00 C ATOM 1277 C PHE A 94 -1.843 3.651 7.434 1.00 0.00 C ATOM 1278 O PHE A 94 -1.457 4.631 8.072 1.00 0.00 O ATOM 1279 CB PHE A 94 -0.577 3.028 5.367 1.00 0.00 C ATOM 1280 CG PHE A 94 -0.536 2.939 3.869 1.00 0.00 C ATOM 1281 CD1 PHE A 94 -0.363 4.078 3.099 1.00 0.00 C ATOM 1282 CD2 PHE A 94 -0.671 1.718 3.229 1.00 0.00 C ATOM 1283 CE1 PHE A 94 -0.326 4.000 1.720 1.00 0.00 C ATOM 1284 CE2 PHE A 94 -0.635 1.633 1.850 1.00 0.00 C ATOM 1285 CZ PHE A 94 -0.461 2.776 1.094 1.00 0.00 C ATOM 0 H PHE A 94 -1.615 5.728 5.964 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.716 3.050 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.272 3.618 5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.461 2.028 5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.256 5.038 3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.806 0.821 3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.192 4.896 1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.743 0.674 1.364 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.431 2.713 0.016 1.00 0.00 H new ATOM 1295 N PRO A 95 -2.265 2.528 8.034 1.00 0.00 N ATOM 1296 CA PRO A 95 -2.727 1.356 7.285 1.00 0.00 C ATOM 1297 C PRO A 95 -4.061 1.602 6.589 1.00 0.00 C ATOM 1298 O PRO A 95 -4.856 2.433 7.026 1.00 0.00 O ATOM 1299 CB PRO A 95 -2.878 0.282 8.366 1.00 0.00 C ATOM 1300 CG PRO A 95 -3.110 1.042 9.626 1.00 0.00 C ATOM 1301 CD PRO A 95 -2.325 2.317 9.490 1.00 0.00 C ATOM 0 HA PRO A 95 -2.036 1.084 6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.712 -0.385 8.147 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.984 -0.337 8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.171 1.250 9.767 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.779 0.470 10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.817 3.148 9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.329 2.224 9.924 1.00 0.00 H new ATOM 1309 N ALA A 96 -4.299 0.873 5.503 1.00 0.00 N ATOM 1310 CA ALA A 96 -5.538 1.011 4.747 1.00 0.00 C ATOM 1311 C ALA A 96 -6.081 -0.351 4.330 1.00 0.00 C ATOM 1312 O ALA A 96 -5.510 -1.021 3.469 1.00 0.00 O ATOM 1313 CB ALA A 96 -5.316 1.890 3.525 1.00 0.00 C ATOM 0 H ALA A 96 -3.650 0.181 5.127 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.277 1.485 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.249 1.984 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.982 2.878 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.558 1.439 2.885 1.00 0.00 H new ATOM 1319 N ARG A 97 -7.186 -0.757 4.947 1.00 0.00 N ATOM 1320 CA ARG A 97 -7.805 -2.041 4.640 1.00 0.00 C ATOM 1321 C ARG A 97 -8.459 -2.014 3.262 1.00 0.00 C ATOM 1322 O ARG A 97 -9.007 -0.995 2.843 1.00 0.00 O ATOM 1323 CB ARG A 97 -8.846 -2.396 5.703 1.00 0.00 C ATOM 1324 CG ARG A 97 -9.940 -1.352 5.858 1.00 0.00 C ATOM 1325 CD ARG A 97 -11.108 -1.626 4.924 1.00 0.00 C ATOM 1326 NE ARG A 97 -12.363 -1.094 5.446 1.00 0.00 N ATOM 1327 CZ ARG A 97 -12.952 -1.547 6.547 1.00 0.00 C ATOM 1328 NH1 ARG A 97 -12.402 -2.535 7.239 1.00 0.00 N ATOM 1329 NH2 ARG A 97 -14.094 -1.010 6.960 1.00 0.00 N ATOM 0 H ARG A 97 -7.671 -0.215 5.662 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.024 -2.801 4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.302 -3.352 5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.344 -2.528 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.292 -1.343 6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.532 -0.363 5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.904 -1.183 3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.206 -2.701 4.771 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.812 -0.333 4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.524 -2.950 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.857 -2.881 8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.520 -0.249 6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.545 -1.359 7.806 1.00 0.00 H new ATOM 1343 N VAL A 98 -8.396 -3.142 2.561 1.00 0.00 N ATOM 1344 CA VAL A 98 -8.981 -3.248 1.230 1.00 0.00 C ATOM 1345 C VAL A 98 -9.511 -4.655 0.973 1.00 0.00 C ATOM 1346 O VAL A 98 -8.758 -5.629 1.001 1.00 0.00 O ATOM 1347 CB VAL A 98 -7.958 -2.890 0.136 1.00 0.00 C ATOM 1348 CG1 VAL A 98 -8.604 -2.952 -1.240 1.00 0.00 C ATOM 1349 CG2 VAL A 98 -7.365 -1.513 0.393 1.00 0.00 C ATOM 0 H VAL A 98 -7.946 -3.995 2.893 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.807 -2.538 1.191 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.150 -3.621 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.866 -2.696 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.977 -3.960 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.432 -2.245 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.644 -1.276 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.161 -0.768 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.865 -1.507 1.361 1.00 0.00 H new ATOM 1359 N LYS A 99 -10.812 -4.755 0.724 1.00 0.00 N ATOM 1360 CA LYS A 99 -11.445 -6.042 0.461 1.00 0.00 C ATOM 1361 C LYS A 99 -10.991 -6.607 -0.882 1.00 0.00 C ATOM 1362 O LYS A 99 -11.140 -5.963 -1.920 1.00 0.00 O ATOM 1363 CB LYS A 99 -12.968 -5.897 0.476 1.00 0.00 C ATOM 1364 CG LYS A 99 -13.706 -7.205 0.243 1.00 0.00 C ATOM 1365 CD LYS A 99 -15.205 -7.040 0.429 1.00 0.00 C ATOM 1366 CE LYS A 99 -15.824 -6.247 -0.711 1.00 0.00 C ATOM 1367 NZ LYS A 99 -16.083 -7.100 -1.904 1.00 0.00 N ATOM 0 H LYS A 99 -11.450 -3.959 0.699 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.144 -6.734 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.276 -5.482 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.264 -5.181 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.501 -7.565 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.334 -7.962 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.676 -8.021 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.402 -6.534 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.759 -5.798 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.159 -5.429 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.505 -6.522 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.187 -7.508 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.738 -7.866 -1.647 1.00 0.00 H new ATOM 1381 N VAL A 100 -10.436 -7.814 -0.853 1.00 0.00 N ATOM 1382 CA VAL A 100 -9.963 -8.467 -2.068 1.00 0.00 C ATOM 1383 C VAL A 100 -10.915 -9.576 -2.503 1.00 0.00 C ATOM 1384 O VAL A 100 -11.273 -10.445 -1.710 1.00 0.00 O ATOM 1385 CB VAL A 100 -8.555 -9.061 -1.874 1.00 0.00 C ATOM 1386 CG1 VAL A 100 -8.235 -10.050 -2.984 1.00 0.00 C ATOM 1387 CG2 VAL A 100 -7.513 -7.954 -1.819 1.00 0.00 C ATOM 0 H VAL A 100 -10.303 -8.360 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.923 -7.702 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.533 -9.597 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.236 -10.459 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.965 -10.860 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.274 -9.541 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.524 -8.392 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.533 -7.389 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.734 -7.288 -0.985 1.00 0.00 H new ATOM 1397 N GLU A 101 -11.319 -9.538 -3.769 1.00 0.00 N ATOM 1398 CA GLU A 101 -12.230 -10.541 -4.309 1.00 0.00 C ATOM 1399 C GLU A 101 -11.457 -11.714 -4.904 1.00 0.00 C ATOM 1400 O GLU A 101 -10.298 -11.590 -5.301 1.00 0.00 O ATOM 1401 CB GLU A 101 -13.134 -9.919 -5.375 1.00 0.00 C ATOM 1402 CG GLU A 101 -14.366 -9.235 -4.806 1.00 0.00 C ATOM 1403 CD GLU A 101 -15.386 -10.222 -4.273 1.00 0.00 C ATOM 1404 OE1 GLU A 101 -15.190 -10.728 -3.148 1.00 0.00 O ATOM 1405 OE2 GLU A 101 -16.380 -10.489 -4.981 1.00 0.00 O ATOM 0 H GLU A 101 -11.031 -8.825 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.847 -10.912 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.558 -9.193 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.449 -10.697 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.065 -8.560 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.828 -8.623 -5.581 1.00 0.00 H new ATOM 1412 N PRO A 102 -12.112 -12.883 -4.965 1.00 0.00 N ATOM 1413 CA PRO A 102 -11.506 -14.102 -5.509 1.00 0.00 C ATOM 1414 C PRO A 102 -11.302 -14.025 -7.018 1.00 0.00 C ATOM 1415 O PRO A 102 -11.852 -13.147 -7.684 1.00 0.00 O ATOM 1416 CB PRO A 102 -12.526 -15.190 -5.162 1.00 0.00 C ATOM 1417 CG PRO A 102 -13.824 -14.469 -5.048 1.00 0.00 C ATOM 1418 CD PRO A 102 -13.494 -13.104 -4.509 1.00 0.00 C ATOM 0 HA PRO A 102 -10.513 -14.282 -5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.566 -15.957 -5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.268 -15.691 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.317 -14.397 -6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -14.506 -14.997 -4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -14.172 -12.344 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.569 -13.072 -3.422 1.00 0.00 H new ATOM 1426 N ALA A 103 -10.510 -14.949 -7.552 1.00 0.00 N ATOM 1427 CA ALA A 103 -10.236 -14.986 -8.983 1.00 0.00 C ATOM 1428 C ALA A 103 -11.314 -15.767 -9.728 1.00 0.00 C ATOM 1429 O ALA A 103 -11.017 -16.543 -10.636 1.00 0.00 O ATOM 1430 CB ALA A 103 -8.866 -15.594 -9.243 1.00 0.00 C ATOM 0 H ALA A 103 -10.047 -15.682 -7.015 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.243 -13.962 -9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.675 -15.615 -10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.102 -14.993 -8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.838 -16.610 -8.849 1.00 0.00 H new