USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 513 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 6 LYS NZ :NH3+ 170:sc= 1.23 (180deg=-0.0541) USER MOD Set 1.2: A 44 THR OG1 : rot 140:sc= 1.04 USER MOD Single : A 7 MET CE :methyl 166:sc= -1.93 (180deg=-2.72!) USER MOD Single : A 8 LYS NZ :NH3+ 136:sc= 1.1 (180deg=0.633) USER MOD Single : A 18 THR OG1 : rot -40:sc= 0.61 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0115) USER MOD Single : A 29 GLN : amide:sc= -0.0081 K(o=-0.0081,f=-1.1) USER MOD Single : A 32 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.8!) USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0318) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0202 K(o=-0.02,f=-0.78) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 47 TYR OH : rot 108:sc= 1.17 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 53 SER OG : rot 66:sc= 1.15 USER MOD Single : A 57 MET CE :methyl -118:sc= -1.04 (180deg=-1.47) USER MOD Single : A 58 LYS NZ :NH3+ 139:sc= 2.61 (180deg=0.366) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 2.3 (180deg=2.02) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 64 MET CE :methyl -125:sc= -0.0132 (180deg=-0.552) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.412 7.319 8.536 1.00 0.00 N ATOM 26 CA VAL A 3 -2.982 7.142 8.622 1.00 0.00 C ATOM 27 C VAL A 3 -2.472 6.843 7.211 1.00 0.00 C ATOM 28 O VAL A 3 -2.924 5.912 6.546 1.00 0.00 O ATOM 29 CB VAL A 3 -2.691 5.987 9.606 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.418 5.202 9.262 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.651 6.516 11.044 1.00 0.00 C ATOM 0 HA VAL A 3 -2.474 8.031 8.996 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.510 5.274 9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.273 4.406 9.992 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.516 4.768 8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.560 5.874 9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.445 5.693 11.729 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.867 7.267 11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.613 6.964 11.294 1.00 0.00 H new ATOM 41 N VAL A 4 -1.516 7.647 6.753 1.00 0.00 N ATOM 42 CA VAL A 4 -0.811 7.450 5.513 1.00 0.00 C ATOM 43 C VAL A 4 0.267 6.382 5.723 1.00 0.00 C ATOM 44 O VAL A 4 0.960 6.390 6.740 1.00 0.00 O ATOM 45 CB VAL A 4 -0.224 8.802 5.081 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.712 8.628 3.892 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.348 9.779 4.711 1.00 0.00 C ATOM 0 H VAL A 4 -1.209 8.477 7.260 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.470 7.096 4.720 1.00 0.00 H new ATOM 0 HB VAL A 4 0.342 9.207 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.117 9.598 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.529 7.961 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.161 8.200 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.916 10.732 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.932 9.367 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.995 9.933 5.574 1.00 0.00 H new ATOM 57 N LEU A 5 0.427 5.491 4.744 1.00 0.00 N ATOM 58 CA LEU A 5 1.457 4.464 4.697 1.00 0.00 C ATOM 59 C LEU A 5 2.214 4.649 3.387 1.00 0.00 C ATOM 60 O LEU A 5 1.594 4.770 2.329 1.00 0.00 O ATOM 61 CB LEU A 5 0.784 3.089 4.834 1.00 0.00 C ATOM 62 CG LEU A 5 1.532 1.830 4.353 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.559 1.662 2.840 1.00 0.00 C ATOM 64 CD2 LEU A 5 2.945 1.648 4.895 1.00 0.00 C ATOM 0 H LEU A 5 -0.186 5.468 3.929 1.00 0.00 H new ATOM 0 HA LEU A 5 2.175 4.539 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.545 2.945 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.163 3.133 4.296 1.00 0.00 H new ATOM 0 HG LEU A 5 0.917 1.044 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.104 0.753 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.539 1.592 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.054 2.521 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.374 0.731 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.560 2.498 4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.912 1.584 5.983 1.00 0.00 H new ATOM 76 N LYS A 6 3.547 4.678 3.477 1.00 0.00 N ATOM 77 CA LYS A 6 4.474 4.657 2.353 1.00 0.00 C ATOM 78 C LYS A 6 5.025 3.232 2.213 1.00 0.00 C ATOM 79 O LYS A 6 5.694 2.739 3.126 1.00 0.00 O ATOM 80 CB LYS A 6 5.607 5.671 2.599 1.00 0.00 C ATOM 81 CG LYS A 6 5.742 6.704 1.476 1.00 0.00 C ATOM 82 CD LYS A 6 4.590 7.713 1.446 1.00 0.00 C ATOM 83 CE LYS A 6 4.946 8.832 0.455 1.00 0.00 C ATOM 84 NZ LYS A 6 3.770 9.648 0.095 1.00 0.00 N ATOM 0 H LYS A 6 4.025 4.719 4.377 1.00 0.00 H new ATOM 0 HA LYS A 6 3.969 4.939 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.425 6.189 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.550 5.135 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.684 7.240 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.789 6.186 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.664 7.222 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.423 8.127 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.712 9.473 0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.373 8.395 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.079 10.487 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.124 9.085 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.278 9.948 0.960 1.00 0.00 H new ATOM 98 N MET A 7 4.743 2.573 1.086 1.00 0.00 N ATOM 99 CA MET A 7 5.219 1.231 0.792 1.00 0.00 C ATOM 100 C MET A 7 6.076 1.237 -0.470 1.00 0.00 C ATOM 101 O MET A 7 5.675 1.812 -1.477 1.00 0.00 O ATOM 102 CB MET A 7 4.042 0.271 0.612 1.00 0.00 C ATOM 103 CG MET A 7 2.890 0.814 -0.241 1.00 0.00 C ATOM 104 SD MET A 7 1.788 -0.425 -0.969 1.00 0.00 S ATOM 105 CE MET A 7 1.170 -1.281 0.498 1.00 0.00 C ATOM 0 H MET A 7 4.167 2.969 0.343 1.00 0.00 H new ATOM 0 HA MET A 7 5.825 0.892 1.633 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.409 -0.649 0.157 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.653 0.007 1.596 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.292 1.485 0.376 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.313 1.414 -1.047 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.308 -1.891 0.227 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.954 -1.921 0.903 1.00 0.00 H new ATOM 0 HE3 MET A 7 0.875 -0.549 1.249 1.00 0.00 H new ATOM 115 N LYS A 8 7.212 0.539 -0.446 1.00 0.00 N ATOM 116 CA LYS A 8 7.966 0.259 -1.660 1.00 0.00 C ATOM 117 C LYS A 8 7.247 -0.831 -2.453 1.00 0.00 C ATOM 118 O LYS A 8 6.500 -1.639 -1.886 1.00 0.00 O ATOM 119 CB LYS A 8 9.409 -0.138 -1.315 1.00 0.00 C ATOM 120 CG LYS A 8 10.376 1.054 -1.390 1.00 0.00 C ATOM 121 CD LYS A 8 10.604 1.516 -2.841 1.00 0.00 C ATOM 122 CE LYS A 8 12.003 2.098 -3.083 1.00 0.00 C ATOM 123 NZ LYS A 8 13.038 1.044 -3.119 1.00 0.00 N ATOM 0 H LYS A 8 7.628 0.158 0.404 1.00 0.00 H new ATOM 0 HA LYS A 8 8.022 1.154 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.437 -0.563 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.743 -0.917 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.978 1.882 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.330 0.776 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.449 0.671 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.857 2.267 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.010 2.647 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.240 2.813 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.687 1.221 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.572 1.051 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.585 0.116 -3.243 1.00 0.00 H new ATOM 137 N VAL A 9 7.456 -0.840 -3.772 1.00 0.00 N ATOM 138 CA VAL A 9 6.914 -1.836 -4.683 1.00 0.00 C ATOM 139 C VAL A 9 8.041 -2.282 -5.623 1.00 0.00 C ATOM 140 O VAL A 9 8.072 -1.908 -6.793 1.00 0.00 O ATOM 141 CB VAL A 9 5.681 -1.281 -5.433 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.835 -2.454 -5.945 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.797 -0.367 -4.571 1.00 0.00 C ATOM 0 H VAL A 9 8.022 -0.134 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 9 6.555 -2.708 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 9 6.060 -0.672 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.963 -2.070 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.432 -3.065 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.508 -3.062 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.952 -0.015 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.430 -0.924 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.381 0.487 -4.229 1.00 0.00 H new ATOM 153 N GLU A 10 8.987 -3.062 -5.092 1.00 0.00 N ATOM 154 CA GLU A 10 10.124 -3.561 -5.856 1.00 0.00 C ATOM 155 C GLU A 10 9.670 -4.469 -7.006 1.00 0.00 C ATOM 156 O GLU A 10 8.525 -4.925 -7.059 1.00 0.00 O ATOM 157 CB GLU A 10 11.073 -4.328 -4.930 1.00 0.00 C ATOM 158 CG GLU A 10 11.660 -3.449 -3.822 1.00 0.00 C ATOM 159 CD GLU A 10 12.627 -2.414 -4.372 1.00 0.00 C ATOM 160 OE1 GLU A 10 13.581 -2.824 -5.061 1.00 0.00 O ATOM 161 OE2 GLU A 10 12.398 -1.221 -4.076 1.00 0.00 O ATOM 0 H GLU A 10 8.982 -3.363 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 10 10.644 -2.706 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.537 -5.163 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.886 -4.752 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.852 -2.945 -3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.175 -4.077 -3.095 1.00 0.00 H new ATOM 168 N GLY A 11 10.593 -4.760 -7.926 1.00 0.00 N ATOM 169 CA GLY A 11 10.371 -5.695 -9.020 1.00 0.00 C ATOM 170 C GLY A 11 9.561 -5.058 -10.146 1.00 0.00 C ATOM 171 O GLY A 11 10.009 -5.030 -11.292 1.00 0.00 O ATOM 0 H GLY A 11 11.525 -4.345 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.331 -6.036 -9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.847 -6.575 -8.647 1.00 0.00 H new ATOM 256 N THR A 18 -0.386 -1.501 -11.590 1.00 0.00 N ATOM 257 CA THR A 18 -0.628 -0.239 -10.926 1.00 0.00 C ATOM 258 C THR A 18 -2.127 -0.202 -10.672 1.00 0.00 C ATOM 259 O THR A 18 -2.572 -0.646 -9.623 1.00 0.00 O ATOM 260 CB THR A 18 -0.170 0.910 -11.840 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.674 0.726 -13.156 1.00 0.00 O ATOM 262 CG2 THR A 18 1.355 0.998 -11.905 1.00 0.00 C ATOM 0 HA THR A 18 -0.079 -0.132 -9.991 1.00 0.00 H new ATOM 0 HB THR A 18 -0.560 1.836 -11.417 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.625 -0.223 -13.395 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.644 1.820 -12.559 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.752 1.173 -10.905 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.757 0.064 -12.297 1.00 0.00 H new ATOM 270 N SER A 19 -2.911 0.207 -11.670 1.00 0.00 N ATOM 271 CA SER A 19 -4.351 0.380 -11.534 1.00 0.00 C ATOM 272 C SER A 19 -5.044 -0.858 -11.000 1.00 0.00 C ATOM 273 O SER A 19 -5.883 -0.765 -10.105 1.00 0.00 O ATOM 274 CB SER A 19 -4.946 0.903 -12.847 1.00 0.00 C ATOM 275 OG SER A 19 -6.334 1.135 -12.722 1.00 0.00 O ATOM 0 H SER A 19 -2.558 0.428 -12.601 1.00 0.00 H new ATOM 0 HA SER A 19 -4.534 1.138 -10.772 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.444 1.827 -13.134 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.765 0.182 -13.644 1.00 0.00 H new ATOM 0 HG SER A 19 -6.688 1.469 -13.573 1.00 0.00 H new ATOM 281 N THR A 20 -4.634 -2.023 -11.488 1.00 0.00 N ATOM 282 CA THR A 20 -5.060 -3.276 -10.916 1.00 0.00 C ATOM 283 C THR A 20 -4.885 -3.290 -9.397 1.00 0.00 C ATOM 284 O THR A 20 -5.844 -3.514 -8.662 1.00 0.00 O ATOM 285 CB THR A 20 -4.268 -4.396 -11.587 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.456 -4.320 -12.985 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.771 -5.723 -11.047 1.00 0.00 C ATOM 0 H THR A 20 -4.003 -2.116 -12.284 1.00 0.00 H new ATOM 0 HA THR A 20 -6.125 -3.421 -11.096 1.00 0.00 H new ATOM 0 HB THR A 20 -3.203 -4.302 -11.376 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.949 -5.035 -13.423 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.218 -6.539 -11.513 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.624 -5.756 -9.967 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.832 -5.829 -11.272 1.00 0.00 H new ATOM 295 N ILE A 21 -3.656 -3.068 -8.933 1.00 0.00 N ATOM 296 CA ILE A 21 -3.328 -3.033 -7.525 1.00 0.00 C ATOM 297 C ILE A 21 -4.172 -1.951 -6.849 1.00 0.00 C ATOM 298 O ILE A 21 -4.816 -2.238 -5.848 1.00 0.00 O ATOM 299 CB ILE A 21 -1.800 -2.860 -7.372 1.00 0.00 C ATOM 300 CG1 ILE A 21 -1.074 -4.212 -7.406 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.347 -2.177 -6.090 1.00 0.00 C ATOM 302 CD1 ILE A 21 -1.019 -4.771 -8.815 1.00 0.00 C ATOM 0 H ILE A 21 -2.854 -2.906 -9.542 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.575 -3.966 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.544 -2.222 -8.218 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.062 -4.094 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.585 -4.918 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.259 -2.105 -6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.777 -1.177 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.679 -2.759 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.499 -5.729 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.033 -4.912 -9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.486 -4.075 -9.462 1.00 0.00 H new ATOM 314 N GLU A 22 -4.214 -0.735 -7.396 1.00 0.00 N ATOM 315 CA GLU A 22 -4.894 0.398 -6.790 1.00 0.00 C ATOM 316 C GLU A 22 -6.370 0.066 -6.570 1.00 0.00 C ATOM 317 O GLU A 22 -6.856 -0.034 -5.446 1.00 0.00 O ATOM 318 CB GLU A 22 -4.676 1.646 -7.664 1.00 0.00 C ATOM 319 CG GLU A 22 -3.190 2.033 -7.653 1.00 0.00 C ATOM 320 CD GLU A 22 -2.841 3.168 -8.603 1.00 0.00 C ATOM 321 OE1 GLU A 22 -2.929 2.923 -9.824 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.441 4.236 -8.085 1.00 0.00 O ATOM 0 H GLU A 22 -3.768 -0.512 -8.286 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.477 0.615 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.003 1.448 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.280 2.473 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.907 2.320 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.595 1.158 -7.914 1.00 0.00 H new ATOM 329 N GLY A 23 -7.071 -0.145 -7.673 1.00 0.00 N ATOM 330 CA GLY A 23 -8.456 -0.586 -7.733 1.00 0.00 C ATOM 331 C GLY A 23 -8.740 -1.760 -6.794 1.00 0.00 C ATOM 332 O GLY A 23 -9.664 -1.690 -5.985 1.00 0.00 O ATOM 0 H GLY A 23 -6.668 -0.006 -8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.110 0.247 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.697 -0.877 -8.756 1.00 0.00 H new ATOM 336 N LYS A 24 -7.963 -2.845 -6.896 1.00 0.00 N ATOM 337 CA LYS A 24 -8.133 -4.022 -6.051 1.00 0.00 C ATOM 338 C LYS A 24 -8.063 -3.613 -4.579 1.00 0.00 C ATOM 339 O LYS A 24 -8.993 -3.852 -3.812 1.00 0.00 O ATOM 340 CB LYS A 24 -7.058 -5.065 -6.398 1.00 0.00 C ATOM 341 CG LYS A 24 -7.039 -6.344 -5.546 1.00 0.00 C ATOM 342 CD LYS A 24 -8.198 -7.310 -5.837 1.00 0.00 C ATOM 343 CE LYS A 24 -9.378 -7.136 -4.868 1.00 0.00 C ATOM 344 NZ LYS A 24 -10.439 -8.133 -5.121 1.00 0.00 N ATOM 0 H LYS A 24 -7.200 -2.927 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.110 -4.471 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.187 -5.353 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.082 -4.587 -6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.096 -6.865 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.068 -6.066 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.547 -7.154 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.833 -8.336 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.024 -7.232 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.789 -6.132 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.220 -7.987 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.793 -8.024 -6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.052 -9.091 -4.999 1.00 0.00 H new ATOM 358 N ILE A 25 -6.945 -3.008 -4.187 1.00 0.00 N ATOM 359 CA ILE A 25 -6.658 -2.605 -2.828 1.00 0.00 C ATOM 360 C ILE A 25 -7.710 -1.622 -2.313 1.00 0.00 C ATOM 361 O ILE A 25 -8.082 -1.683 -1.144 1.00 0.00 O ATOM 362 CB ILE A 25 -5.216 -2.069 -2.805 1.00 0.00 C ATOM 363 CG1 ILE A 25 -4.173 -3.159 -3.090 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.895 -1.235 -1.573 1.00 0.00 C ATOM 365 CD1 ILE A 25 -4.018 -4.117 -1.927 1.00 0.00 C ATOM 0 H ILE A 25 -6.192 -2.780 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.718 -3.445 -2.135 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.152 -1.370 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.465 -3.715 -3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.212 -2.693 -3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.862 -0.891 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.562 -0.374 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.030 -1.842 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.270 -4.871 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.700 -3.566 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.972 -4.604 -1.727 1.00 0.00 H new ATOM 377 N GLY A 26 -8.252 -0.782 -3.192 1.00 0.00 N ATOM 378 CA GLY A 26 -9.359 0.110 -2.897 1.00 0.00 C ATOM 379 C GLY A 26 -10.584 -0.592 -2.304 1.00 0.00 C ATOM 380 O GLY A 26 -11.401 0.073 -1.670 1.00 0.00 O ATOM 0 H GLY A 26 -7.921 -0.705 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.019 0.876 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.654 0.621 -3.813 1.00 0.00 H new ATOM 384 N LYS A 27 -10.752 -1.909 -2.492 1.00 0.00 N ATOM 385 CA LYS A 27 -11.853 -2.636 -1.894 1.00 0.00 C ATOM 386 C LYS A 27 -11.520 -3.078 -0.468 1.00 0.00 C ATOM 387 O LYS A 27 -12.429 -3.440 0.275 1.00 0.00 O ATOM 388 CB LYS A 27 -12.218 -3.831 -2.777 1.00 0.00 C ATOM 389 CG LYS A 27 -13.232 -3.441 -3.859 1.00 0.00 C ATOM 390 CD LYS A 27 -14.638 -3.188 -3.278 1.00 0.00 C ATOM 391 CE LYS A 27 -15.755 -3.287 -4.330 1.00 0.00 C ATOM 392 NZ LYS A 27 -16.023 -4.680 -4.750 1.00 0.00 N ATOM 0 H LYS A 27 -10.129 -2.485 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.716 -1.973 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.317 -4.226 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.632 -4.628 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.886 -2.543 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.287 -4.233 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.831 -3.909 -2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.663 -2.198 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.669 -2.852 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.480 -2.695 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.839 -4.697 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.188 -5.062 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.231 -5.261 -3.913 1.00 0.00 H new ATOM 406 N LEU A 28 -10.237 -3.134 -0.091 1.00 0.00 N ATOM 407 CA LEU A 28 -9.845 -3.804 1.122 1.00 0.00 C ATOM 408 C LEU A 28 -10.288 -3.037 2.366 1.00 0.00 C ATOM 409 O LEU A 28 -10.136 -1.819 2.476 1.00 0.00 O ATOM 410 CB LEU A 28 -8.337 -4.027 1.157 1.00 0.00 C ATOM 411 CG LEU A 28 -7.735 -5.019 0.151 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.185 -6.212 0.917 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.686 -5.573 -0.903 1.00 0.00 C ATOM 0 H LEU A 28 -9.467 -2.721 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.348 -4.771 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.852 -3.062 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.072 -4.364 2.159 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.983 -4.442 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.753 -6.927 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.416 -5.875 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.991 -6.691 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.147 -6.261 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.503 -6.102 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.089 -4.752 -1.497 1.00 0.00 H new ATOM 425 N GLN A 29 -10.795 -3.799 3.331 1.00 0.00 N ATOM 426 CA GLN A 29 -11.240 -3.306 4.620 1.00 0.00 C ATOM 427 C GLN A 29 -10.141 -2.478 5.297 1.00 0.00 C ATOM 428 O GLN A 29 -9.086 -3.001 5.648 1.00 0.00 O ATOM 429 CB GLN A 29 -11.761 -4.476 5.466 1.00 0.00 C ATOM 430 CG GLN A 29 -10.648 -5.462 5.837 1.00 0.00 C ATOM 431 CD GLN A 29 -11.163 -6.839 6.246 1.00 0.00 C ATOM 432 OE1 GLN A 29 -12.363 -7.092 6.272 1.00 0.00 O ATOM 433 NE2 GLN A 29 -10.251 -7.759 6.547 1.00 0.00 N ATOM 0 H GLN A 29 -10.909 -4.807 3.229 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.076 -2.619 4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.219 -4.089 6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.541 -5.002 4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.974 -5.573 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.062 -5.044 6.656 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.259 -7.523 6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.543 -8.701 6.807 1.00 0.00 H new ATOM 442 N GLY A 30 -10.381 -1.174 5.454 1.00 0.00 N ATOM 443 CA GLY A 30 -9.491 -0.271 6.164 1.00 0.00 C ATOM 444 C GLY A 30 -8.915 0.803 5.257 1.00 0.00 C ATOM 445 O GLY A 30 -8.565 1.873 5.747 1.00 0.00 O ATOM 0 H GLY A 30 -11.213 -0.715 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.034 0.201 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.677 -0.843 6.609 1.00 0.00 H new ATOM 449 N VAL A 31 -8.802 0.535 3.955 1.00 0.00 N ATOM 450 CA VAL A 31 -8.207 1.461 3.025 1.00 0.00 C ATOM 451 C VAL A 31 -9.227 2.535 2.666 1.00 0.00 C ATOM 452 O VAL A 31 -10.361 2.230 2.301 1.00 0.00 O ATOM 453 CB VAL A 31 -7.754 0.642 1.810 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.484 1.524 0.596 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.494 -0.155 2.163 1.00 0.00 C ATOM 0 H VAL A 31 -9.124 -0.334 3.528 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.344 1.979 3.444 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.564 -0.039 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.166 0.903 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.394 2.059 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.699 2.241 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.176 -0.735 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.698 0.532 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.710 -0.829 2.992 1.00 0.00 H new ATOM 465 N GLN A 32 -8.799 3.794 2.743 1.00 0.00 N ATOM 466 CA GLN A 32 -9.530 4.929 2.219 1.00 0.00 C ATOM 467 C GLN A 32 -9.082 5.195 0.782 1.00 0.00 C ATOM 468 O GLN A 32 -9.932 5.235 -0.109 1.00 0.00 O ATOM 469 CB GLN A 32 -9.388 6.141 3.145 1.00 0.00 C ATOM 470 CG GLN A 32 -10.614 6.349 4.044 1.00 0.00 C ATOM 471 CD GLN A 32 -11.754 7.075 3.324 1.00 0.00 C ATOM 472 OE1 GLN A 32 -12.273 6.600 2.316 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.150 8.244 3.814 1.00 0.00 N ATOM 0 H GLN A 32 -7.915 4.051 3.182 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.598 4.711 2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.503 6.014 3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.228 7.036 2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.970 5.381 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.322 6.922 4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -11.707 8.622 4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.897 8.764 3.353 1.00 0.00 H new ATOM 482 N ARG A 33 -7.780 5.397 0.521 1.00 0.00 N ATOM 483 CA ARG A 33 -7.296 5.750 -0.816 1.00 0.00 C ATOM 484 C ARG A 33 -5.924 5.110 -1.057 1.00 0.00 C ATOM 485 O ARG A 33 -5.227 4.785 -0.097 1.00 0.00 O ATOM 486 CB ARG A 33 -7.224 7.289 -0.953 1.00 0.00 C ATOM 487 CG ARG A 33 -7.821 7.849 -2.258 1.00 0.00 C ATOM 488 CD ARG A 33 -9.217 8.464 -2.059 1.00 0.00 C ATOM 489 NE ARG A 33 -10.160 7.489 -1.496 1.00 0.00 N ATOM 490 CZ ARG A 33 -11.419 7.726 -1.096 1.00 0.00 C ATOM 491 NH1 ARG A 33 -11.993 8.914 -1.317 1.00 0.00 N ATOM 492 NH2 ARG A 33 -12.076 6.756 -0.459 1.00 0.00 N ATOM 0 H ARG A 33 -7.045 5.321 1.224 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.986 5.370 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.745 7.740 -0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.181 7.598 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.150 8.606 -2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.883 7.049 -2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.145 9.326 -1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.595 8.827 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.823 6.531 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.473 9.651 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.950 9.083 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.621 5.860 -0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.034 6.910 -0.144 1.00 0.00 H new ATOM 506 N ILE A 34 -5.535 4.962 -2.331 1.00 0.00 N ATOM 507 CA ILE A 34 -4.238 4.447 -2.766 1.00 0.00 C ATOM 508 C ILE A 34 -3.732 5.245 -3.971 1.00 0.00 C ATOM 509 O ILE A 34 -4.537 5.641 -4.813 1.00 0.00 O ATOM 510 CB ILE A 34 -4.306 2.931 -3.053 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.919 2.451 -3.523 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.386 2.545 -4.083 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.698 0.942 -3.386 1.00 0.00 C ATOM 0 H ILE A 34 -6.141 5.208 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.518 4.576 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.593 2.436 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.784 2.733 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.153 2.973 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.375 1.466 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.366 2.850 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.182 3.046 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.698 0.687 -3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.799 0.653 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.439 0.410 -3.982 1.00 0.00 H new ATOM 525 N LYS A 35 -2.422 5.524 -4.017 1.00 0.00 N ATOM 526 CA LYS A 35 -1.706 6.049 -5.175 1.00 0.00 C ATOM 527 C LYS A 35 -0.451 5.190 -5.384 1.00 0.00 C ATOM 528 O LYS A 35 0.338 5.086 -4.443 1.00 0.00 O ATOM 529 CB LYS A 35 -1.249 7.494 -4.929 1.00 0.00 C ATOM 530 CG LYS A 35 -2.375 8.530 -4.843 1.00 0.00 C ATOM 531 CD LYS A 35 -3.127 8.475 -3.504 1.00 0.00 C ATOM 532 CE LYS A 35 -3.650 9.851 -3.099 1.00 0.00 C ATOM 533 NZ LYS A 35 -4.575 10.422 -4.101 1.00 0.00 N ATOM 0 H LYS A 35 -1.812 5.382 -3.212 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.367 6.026 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.678 7.524 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.570 7.785 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.957 9.527 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.079 8.364 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.960 7.776 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.463 8.094 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.161 9.774 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.808 10.529 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.980 11.307 -3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.056 10.617 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.340 9.744 -4.293 1.00 0.00 H new ATOM 547 N VAL A 36 -0.237 4.600 -6.566 1.00 0.00 N ATOM 548 CA VAL A 36 0.959 3.811 -6.886 1.00 0.00 C ATOM 549 C VAL A 36 1.845 4.547 -7.904 1.00 0.00 C ATOM 550 O VAL A 36 1.727 4.354 -9.114 1.00 0.00 O ATOM 551 CB VAL A 36 0.553 2.395 -7.345 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.755 1.539 -7.763 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.141 1.638 -6.207 1.00 0.00 C ATOM 0 H VAL A 36 -0.900 4.658 -7.339 1.00 0.00 H new ATOM 0 HA VAL A 36 1.566 3.692 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.108 2.544 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.409 0.554 -8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.275 2.021 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.437 1.433 -6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.420 0.642 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.539 1.553 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.036 2.180 -5.902 1.00 0.00 H new ATOM 563 N SER A 37 2.776 5.375 -7.419 1.00 0.00 N ATOM 564 CA SER A 37 3.707 6.117 -8.221 1.00 0.00 C ATOM 565 C SER A 37 4.830 5.204 -8.718 1.00 0.00 C ATOM 566 O SER A 37 5.930 5.231 -8.165 1.00 0.00 O ATOM 567 CB SER A 37 4.242 7.209 -7.300 1.00 0.00 C ATOM 568 OG SER A 37 3.195 7.917 -6.659 1.00 0.00 O ATOM 0 H SER A 37 2.892 5.541 -6.419 1.00 0.00 H new ATOM 0 HA SER A 37 3.243 6.540 -9.112 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.893 6.763 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.851 7.905 -7.877 1.00 0.00 H new ATOM 0 HG SER A 37 3.576 8.607 -6.076 1.00 0.00 H new ATOM 574 N LEU A 38 4.568 4.395 -9.752 1.00 0.00 N ATOM 575 CA LEU A 38 5.554 3.496 -10.340 1.00 0.00 C ATOM 576 C LEU A 38 6.902 4.191 -10.564 1.00 0.00 C ATOM 577 O LEU A 38 7.943 3.625 -10.239 1.00 0.00 O ATOM 578 CB LEU A 38 4.995 2.895 -11.639 1.00 0.00 C ATOM 579 CG LEU A 38 5.265 1.396 -11.765 1.00 0.00 C ATOM 580 CD1 LEU A 38 6.749 1.068 -11.958 1.00 0.00 C ATOM 581 CD2 LEU A 38 4.681 0.607 -10.588 1.00 0.00 C ATOM 0 H LEU A 38 3.655 4.350 -10.204 1.00 0.00 H new ATOM 0 HA LEU A 38 5.746 2.685 -9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.920 3.070 -11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.436 3.411 -12.492 1.00 0.00 H new ATOM 0 HG LEU A 38 4.750 1.080 -12.672 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.875 -0.011 -12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.112 1.547 -12.867 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.317 1.435 -11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.896 -0.454 -10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.129 0.956 -9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.602 0.756 -10.550 1.00 0.00 H new ATOM 593 N ASP A 39 6.869 5.438 -11.041 1.00 0.00 N ATOM 594 CA ASP A 39 7.999 6.357 -11.146 1.00 0.00 C ATOM 595 C ASP A 39 8.937 6.223 -9.952 1.00 0.00 C ATOM 596 O ASP A 39 10.145 6.043 -10.093 1.00 0.00 O ATOM 597 CB ASP A 39 7.487 7.809 -11.143 1.00 0.00 C ATOM 598 CG ASP A 39 6.301 8.043 -12.071 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.265 7.381 -11.820 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.448 8.863 -13.000 1.00 0.00 O ATOM 0 H ASP A 39 6.003 5.854 -11.383 1.00 0.00 H new ATOM 0 HA ASP A 39 8.527 6.114 -12.068 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.201 8.082 -10.127 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.301 8.473 -11.434 1.00 0.00 H new ATOM 605 N ASN A 40 8.347 6.361 -8.762 1.00 0.00 N ATOM 606 CA ASN A 40 9.066 6.440 -7.508 1.00 0.00 C ATOM 607 C ASN A 40 9.371 5.036 -6.976 1.00 0.00 C ATOM 608 O ASN A 40 10.082 4.882 -5.987 1.00 0.00 O ATOM 609 CB ASN A 40 8.241 7.224 -6.480 1.00 0.00 C ATOM 610 CG ASN A 40 9.096 7.912 -5.416 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.298 7.704 -5.310 1.00 0.00 O ATOM 612 ND2 ASN A 40 8.480 8.790 -4.629 1.00 0.00 N ATOM 0 H ASN A 40 7.335 6.421 -8.651 1.00 0.00 H new ATOM 0 HA ASN A 40 10.009 6.959 -7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.646 7.975 -6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.542 6.545 -5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.010 9.302 -3.924 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.478 8.951 -4.731 1.00 0.00 H new ATOM 619 N GLN A 41 8.769 4.004 -7.587 1.00 0.00 N ATOM 620 CA GLN A 41 8.835 2.609 -7.153 1.00 0.00 C ATOM 621 C GLN A 41 8.225 2.457 -5.761 1.00 0.00 C ATOM 622 O GLN A 41 8.489 1.493 -5.039 1.00 0.00 O ATOM 623 CB GLN A 41 10.274 2.088 -7.252 1.00 0.00 C ATOM 624 CG GLN A 41 10.851 2.559 -8.584 1.00 0.00 C ATOM 625 CD GLN A 41 12.249 2.028 -8.878 1.00 0.00 C ATOM 626 OE1 GLN A 41 12.744 1.125 -8.213 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.913 2.612 -9.871 1.00 0.00 N ATOM 0 H GLN A 41 8.204 4.128 -8.427 1.00 0.00 H new ATOM 0 HA GLN A 41 8.237 1.986 -7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.874 2.463 -6.422 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.291 1.000 -7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.181 2.252 -9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.879 3.649 -8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.474 3.361 -10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.861 2.311 -10.097 1.00 0.00 H new ATOM 636 N GLU A 42 7.393 3.439 -5.413 1.00 0.00 N ATOM 637 CA GLU A 42 6.797 3.617 -4.102 1.00 0.00 C ATOM 638 C GLU A 42 5.326 3.985 -4.274 1.00 0.00 C ATOM 639 O GLU A 42 4.962 4.681 -5.221 1.00 0.00 O ATOM 640 CB GLU A 42 7.584 4.672 -3.292 1.00 0.00 C ATOM 641 CG GLU A 42 7.497 4.359 -1.787 1.00 0.00 C ATOM 642 CD GLU A 42 8.519 5.078 -0.923 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.672 4.610 -0.847 1.00 0.00 O ATOM 644 OE2 GLU A 42 8.148 6.001 -0.166 1.00 0.00 O ATOM 0 H GLU A 42 7.107 4.162 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 42 6.848 2.689 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.627 4.681 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.182 5.666 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.499 4.618 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.616 3.285 -1.647 1.00 0.00 H new ATOM 651 N ALA A 43 4.479 3.499 -3.367 1.00 0.00 N ATOM 652 CA ALA A 43 3.049 3.743 -3.351 1.00 0.00 C ATOM 653 C ALA A 43 2.663 4.307 -1.985 1.00 0.00 C ATOM 654 O ALA A 43 3.315 4.015 -0.979 1.00 0.00 O ATOM 655 CB ALA A 43 2.304 2.452 -3.681 1.00 0.00 C ATOM 0 H ALA A 43 4.788 2.904 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 43 2.771 4.475 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.230 2.638 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.600 2.104 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.549 1.691 -2.940 1.00 0.00 H new ATOM 661 N THR A 44 1.623 5.142 -1.957 1.00 0.00 N ATOM 662 CA THR A 44 1.131 5.841 -0.800 1.00 0.00 C ATOM 663 C THR A 44 -0.313 5.394 -0.625 1.00 0.00 C ATOM 664 O THR A 44 -1.134 5.677 -1.499 1.00 0.00 O ATOM 665 CB THR A 44 1.208 7.344 -1.094 1.00 0.00 C ATOM 666 OG1 THR A 44 2.554 7.726 -1.299 1.00 0.00 O ATOM 667 CG2 THR A 44 0.634 8.146 0.066 1.00 0.00 C ATOM 0 H THR A 44 1.081 5.351 -2.795 1.00 0.00 H new ATOM 0 HA THR A 44 1.703 5.635 0.105 1.00 0.00 H new ATOM 0 HB THR A 44 0.625 7.548 -1.992 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.603 8.371 -2.035 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.697 9.210 -0.161 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.409 7.869 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.202 7.934 0.972 1.00 0.00 H new ATOM 675 N ILE A 45 -0.623 4.705 0.474 1.00 0.00 N ATOM 676 CA ILE A 45 -1.995 4.378 0.831 1.00 0.00 C ATOM 677 C ILE A 45 -2.411 5.242 2.013 1.00 0.00 C ATOM 678 O ILE A 45 -1.553 5.753 2.734 1.00 0.00 O ATOM 679 CB ILE A 45 -2.109 2.882 1.137 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.689 2.134 -0.128 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.523 2.431 1.539 1.00 0.00 C ATOM 682 CD1 ILE A 45 -1.569 0.651 0.149 1.00 0.00 C ATOM 0 H ILE A 45 0.071 4.361 1.137 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.670 4.587 0.002 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.471 2.665 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.420 2.304 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.736 2.521 -0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.520 1.360 1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.835 2.967 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.218 2.647 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.269 0.134 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.820 0.485 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.531 0.265 0.486 1.00 0.00 H new ATOM 694 N VAL A 46 -3.721 5.386 2.214 1.00 0.00 N ATOM 695 CA VAL A 46 -4.302 5.942 3.420 1.00 0.00 C ATOM 696 C VAL A 46 -5.276 4.910 3.989 1.00 0.00 C ATOM 697 O VAL A 46 -6.125 4.402 3.256 1.00 0.00 O ATOM 698 CB VAL A 46 -4.849 7.349 3.177 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.037 7.330 2.255 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.200 8.063 4.485 1.00 0.00 C ATOM 0 H VAL A 46 -4.418 5.110 1.522 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.557 6.116 4.196 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.051 7.912 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.398 8.348 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.746 6.904 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.829 6.725 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.585 9.059 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.959 7.491 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.307 8.148 5.104 1.00 0.00 H new ATOM 710 N TYR A 47 -5.097 4.548 5.260 1.00 0.00 N ATOM 711 CA TYR A 47 -5.839 3.519 5.981 1.00 0.00 C ATOM 712 C TYR A 47 -5.763 3.847 7.468 1.00 0.00 C ATOM 713 O TYR A 47 -5.201 4.872 7.825 1.00 0.00 O ATOM 714 CB TYR A 47 -5.294 2.112 5.679 1.00 0.00 C ATOM 715 CG TYR A 47 -3.833 1.831 6.009 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.358 1.864 7.335 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.999 1.307 5.004 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.051 1.454 7.633 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.750 0.756 5.331 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.268 0.845 6.645 1.00 0.00 C ATOM 721 OH TYR A 47 -0.060 0.326 6.984 1.00 0.00 O ATOM 0 H TYR A 47 -4.389 4.992 5.845 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.879 3.512 5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.905 1.392 6.223 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.441 1.916 4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.006 2.208 8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.322 1.329 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.649 1.608 8.623 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.161 0.264 4.571 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.107 -0.653 6.963 1.00 0.00 H new ATOM 731 N GLN A 48 -6.317 3.028 8.363 1.00 0.00 N ATOM 732 CA GLN A 48 -6.045 3.145 9.780 1.00 0.00 C ATOM 733 C GLN A 48 -5.849 1.755 10.409 1.00 0.00 C ATOM 734 O GLN A 48 -6.535 0.812 10.006 1.00 0.00 O ATOM 735 CB GLN A 48 -7.216 3.956 10.351 1.00 0.00 C ATOM 736 CG GLN A 48 -7.780 3.402 11.655 1.00 0.00 C ATOM 737 CD GLN A 48 -8.729 4.369 12.364 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.433 5.164 11.737 1.00 0.00 O ATOM 739 NE2 GLN A 48 -8.732 4.349 13.692 1.00 0.00 N ATOM 0 H GLN A 48 -6.960 2.274 8.120 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.112 3.662 10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.887 4.982 10.517 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.014 3.993 9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.309 2.472 11.448 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.955 3.157 12.324 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.143 3.684 14.193 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.323 4.998 14.210 1.00 0.00 H new ATOM 748 N PRO A 49 -4.942 1.628 11.401 1.00 0.00 N ATOM 749 CA PRO A 49 -4.698 0.391 12.130 1.00 0.00 C ATOM 750 C PRO A 49 -5.910 0.047 12.999 1.00 0.00 C ATOM 751 O PRO A 49 -5.911 0.266 14.209 1.00 0.00 O ATOM 752 CB PRO A 49 -3.441 0.645 12.972 1.00 0.00 C ATOM 753 CG PRO A 49 -3.500 2.148 13.233 1.00 0.00 C ATOM 754 CD PRO A 49 -4.084 2.686 11.928 1.00 0.00 C ATOM 0 HA PRO A 49 -4.547 -0.460 11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.455 0.073 13.900 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.534 0.364 12.438 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.131 2.387 14.089 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.513 2.564 13.438 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.654 3.599 12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.293 2.935 11.221 1.00 0.00 H new ATOM 762 N HIS A 50 -6.956 -0.478 12.367 1.00 0.00 N ATOM 763 CA HIS A 50 -8.146 -0.969 13.040 1.00 0.00 C ATOM 764 C HIS A 50 -8.741 -2.115 12.230 1.00 0.00 C ATOM 765 O HIS A 50 -8.960 -3.199 12.762 1.00 0.00 O ATOM 766 CB HIS A 50 -9.149 0.177 13.232 1.00 0.00 C ATOM 767 CG HIS A 50 -10.367 -0.214 14.030 1.00 0.00 C ATOM 768 ND1 HIS A 50 -10.418 -1.166 15.026 1.00 0.00 N ATOM 769 CD2 HIS A 50 -11.612 0.345 13.929 1.00 0.00 C ATOM 770 CE1 HIS A 50 -11.671 -1.174 15.511 1.00 0.00 C ATOM 771 NE2 HIS A 50 -12.434 -0.271 14.876 1.00 0.00 N ATOM 0 H HIS A 50 -6.997 -0.574 11.352 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.890 -1.348 14.030 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.649 1.007 13.731 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.466 0.539 12.254 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.906 1.123 13.240 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.017 -1.820 16.304 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.419 -0.073 15.050 1.00 0.00 H new ATOM 779 N LEU A 51 -8.989 -1.867 10.941 1.00 0.00 N ATOM 780 CA LEU A 51 -9.483 -2.877 10.018 1.00 0.00 C ATOM 781 C LEU A 51 -8.323 -3.644 9.378 1.00 0.00 C ATOM 782 O LEU A 51 -8.518 -4.779 8.954 1.00 0.00 O ATOM 783 CB LEU A 51 -10.359 -2.214 8.951 1.00 0.00 C ATOM 784 CG LEU A 51 -11.720 -1.767 9.507 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.342 -0.707 8.593 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.692 -2.947 9.637 1.00 0.00 C ATOM 0 H LEU A 51 -8.850 -0.952 10.512 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.087 -3.597 10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.836 -1.351 8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.517 -2.912 8.129 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.545 -1.350 10.499 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.306 -0.398 8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.680 0.157 8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.484 -1.124 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.644 -2.593 10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.852 -3.396 8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.272 -3.691 10.313 1.00 0.00 H new ATOM 798 N ILE A 52 -7.133 -3.033 9.297 1.00 0.00 N ATOM 799 CA ILE A 52 -5.945 -3.645 8.742 1.00 0.00 C ATOM 800 C ILE A 52 -4.862 -3.722 9.810 1.00 0.00 C ATOM 801 O ILE A 52 -4.744 -2.815 10.633 1.00 0.00 O ATOM 802 CB ILE A 52 -5.525 -2.863 7.500 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.507 -3.638 6.668 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.949 -1.503 7.867 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.165 -4.843 5.997 1.00 0.00 C ATOM 0 H ILE A 52 -6.979 -2.080 9.626 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.137 -4.671 8.427 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.426 -2.715 6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.075 -2.984 5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.688 -3.972 7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.660 -0.973 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.700 -0.922 8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.074 -1.638 8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.423 -5.382 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.575 -5.505 6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.968 -4.502 5.343 1.00 0.00 H new ATOM 817 N SER A 53 -4.021 -4.756 9.763 1.00 0.00 N ATOM 818 CA SER A 53 -2.973 -4.972 10.754 1.00 0.00 C ATOM 819 C SER A 53 -1.705 -4.176 10.469 1.00 0.00 C ATOM 820 O SER A 53 -0.619 -4.573 10.885 1.00 0.00 O ATOM 821 CB SER A 53 -2.652 -6.448 10.882 1.00 0.00 C ATOM 822 OG SER A 53 -3.821 -7.189 11.159 1.00 0.00 O ATOM 0 H SER A 53 -4.050 -5.468 9.033 1.00 0.00 H new ATOM 0 HA SER A 53 -3.367 -4.605 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.197 -6.808 9.959 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.922 -6.599 11.677 1.00 0.00 H new ATOM 0 HG SER A 53 -4.425 -7.148 10.388 1.00 0.00 H new ATOM 828 N VAL A 54 -1.843 -3.076 9.735 1.00 0.00 N ATOM 829 CA VAL A 54 -0.809 -2.144 9.323 1.00 0.00 C ATOM 830 C VAL A 54 0.066 -2.783 8.238 1.00 0.00 C ATOM 831 O VAL A 54 0.122 -2.317 7.099 1.00 0.00 O ATOM 832 CB VAL A 54 -0.110 -1.544 10.567 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.363 -1.914 10.713 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.261 -0.021 10.549 1.00 0.00 C ATOM 0 H VAL A 54 -2.759 -2.794 9.386 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.216 -1.264 8.825 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.609 -1.982 11.431 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.768 -1.449 11.612 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.460 -2.997 10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.915 -1.561 9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.231 0.404 11.424 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.198 0.379 9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.319 0.240 10.565 1.00 0.00 H new ATOM 844 N GLU A 55 0.689 -3.897 8.593 1.00 0.00 N ATOM 845 CA GLU A 55 1.639 -4.636 7.793 1.00 0.00 C ATOM 846 C GLU A 55 0.893 -5.491 6.758 1.00 0.00 C ATOM 847 O GLU A 55 1.349 -5.625 5.617 1.00 0.00 O ATOM 848 CB GLU A 55 2.511 -5.429 8.767 1.00 0.00 C ATOM 849 CG GLU A 55 3.865 -5.885 8.215 1.00 0.00 C ATOM 850 CD GLU A 55 4.746 -4.738 7.726 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.694 -3.660 8.351 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.451 -4.971 6.716 1.00 0.00 O ATOM 0 H GLU A 55 0.531 -4.330 9.503 1.00 0.00 H new ATOM 0 HA GLU A 55 2.292 -3.993 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.686 -4.817 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.955 -6.309 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.397 -6.435 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.697 -6.579 7.391 1.00 0.00 H new ATOM 859 N GLU A 56 -0.280 -6.027 7.146 1.00 0.00 N ATOM 860 CA GLU A 56 -1.137 -6.819 6.265 1.00 0.00 C ATOM 861 C GLU A 56 -1.227 -6.203 4.873 1.00 0.00 C ATOM 862 O GLU A 56 -0.986 -6.876 3.873 1.00 0.00 O ATOM 863 CB GLU A 56 -2.551 -6.894 6.842 1.00 0.00 C ATOM 864 CG GLU A 56 -2.836 -8.201 7.576 1.00 0.00 C ATOM 865 CD GLU A 56 -4.252 -8.192 8.132 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.627 -7.126 8.673 1.00 0.00 O ATOM 867 OE2 GLU A 56 -4.929 -9.231 8.001 1.00 0.00 O ATOM 0 H GLU A 56 -0.656 -5.917 8.088 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.696 -7.813 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.700 -6.060 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.272 -6.775 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.710 -9.044 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.120 -8.335 8.387 1.00 0.00 H new ATOM 874 N MET A 57 -1.599 -4.921 4.825 1.00 0.00 N ATOM 875 CA MET A 57 -1.808 -4.179 3.607 1.00 0.00 C ATOM 876 C MET A 57 -0.717 -4.456 2.570 1.00 0.00 C ATOM 877 O MET A 57 -1.019 -4.767 1.420 1.00 0.00 O ATOM 878 CB MET A 57 -1.929 -2.696 3.970 1.00 0.00 C ATOM 879 CG MET A 57 -3.225 -2.108 3.423 1.00 0.00 C ATOM 880 SD MET A 57 -3.482 -2.163 1.637 1.00 0.00 S ATOM 881 CE MET A 57 -4.829 -3.373 1.594 1.00 0.00 C ATOM 0 H MET A 57 -1.765 -4.366 5.665 1.00 0.00 H new ATOM 0 HA MET A 57 -2.732 -4.502 3.127 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.900 -2.579 5.053 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.077 -2.148 3.567 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.056 -2.629 3.898 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.280 -1.066 3.738 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.509 -4.254 1.038 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.091 -3.662 2.612 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.698 -2.932 1.106 1.00 0.00 H new ATOM 891 N LYS A 58 0.553 -4.380 2.974 1.00 0.00 N ATOM 892 CA LYS A 58 1.652 -4.738 2.094 1.00 0.00 C ATOM 893 C LYS A 58 1.714 -6.243 1.884 1.00 0.00 C ATOM 894 O LYS A 58 1.838 -6.692 0.750 1.00 0.00 O ATOM 895 CB LYS A 58 2.971 -4.207 2.657 1.00 0.00 C ATOM 896 CG LYS A 58 4.178 -4.416 1.723 1.00 0.00 C ATOM 897 CD LYS A 58 4.351 -3.321 0.666 1.00 0.00 C ATOM 898 CE LYS A 58 3.579 -3.547 -0.647 1.00 0.00 C ATOM 899 NZ LYS A 58 3.970 -2.576 -1.689 1.00 0.00 N ATOM 0 H LYS A 58 0.839 -4.074 3.904 1.00 0.00 H new ATOM 0 HA LYS A 58 1.481 -4.277 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.864 -3.142 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.172 -4.698 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.085 -4.470 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.072 -5.377 1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.034 -2.371 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.412 -3.228 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.763 -4.559 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.509 -3.465 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.044 -3.061 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.252 -1.826 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.890 -2.156 -1.445 1.00 0.00 H new ATOM 913 N LYS A 59 1.671 -7.029 2.957 1.00 0.00 N ATOM 914 CA LYS A 59 1.852 -8.476 2.869 1.00 0.00 C ATOM 915 C LYS A 59 0.895 -9.131 1.868 1.00 0.00 C ATOM 916 O LYS A 59 1.267 -10.109 1.223 1.00 0.00 O ATOM 917 CB LYS A 59 1.802 -9.098 4.268 1.00 0.00 C ATOM 918 CG LYS A 59 3.202 -9.151 4.899 1.00 0.00 C ATOM 919 CD LYS A 59 3.957 -7.812 4.852 1.00 0.00 C ATOM 920 CE LYS A 59 5.359 -7.970 5.460 1.00 0.00 C ATOM 921 NZ LYS A 59 6.228 -6.839 5.090 1.00 0.00 N ATOM 0 H LYS A 59 1.511 -6.685 3.904 1.00 0.00 H new ATOM 0 HA LYS A 59 2.844 -8.675 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.134 -8.517 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.388 -10.105 4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.110 -9.469 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.793 -9.909 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.037 -7.468 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.399 -7.052 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.283 -8.034 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.805 -8.903 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.202 -7.035 5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.210 -6.710 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.886 -5.973 5.553 1.00 0.00 H new ATOM 935 N GLN A 60 -0.298 -8.564 1.674 1.00 0.00 N ATOM 936 CA GLN A 60 -1.219 -8.993 0.635 1.00 0.00 C ATOM 937 C GLN A 60 -0.533 -8.897 -0.727 1.00 0.00 C ATOM 938 O GLN A 60 -0.502 -9.852 -1.495 1.00 0.00 O ATOM 939 CB GLN A 60 -2.448 -8.091 0.672 1.00 0.00 C ATOM 940 CG GLN A 60 -3.175 -8.118 2.019 1.00 0.00 C ATOM 941 CD GLN A 60 -4.368 -9.067 2.029 1.00 0.00 C ATOM 942 OE1 GLN A 60 -5.448 -8.721 1.562 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.194 -10.272 2.562 1.00 0.00 N ATOM 0 H GLN A 60 -0.648 -7.791 2.240 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.520 -10.027 0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.146 -7.067 0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.139 -8.397 -0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.474 -8.415 2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.515 -7.112 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.285 -10.535 2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.969 -10.934 2.589 1.00 0.00 H new ATOM 952 N ILE A 61 0.030 -7.723 -1.005 1.00 0.00 N ATOM 953 CA ILE A 61 0.849 -7.487 -2.190 1.00 0.00 C ATOM 954 C ILE A 61 2.051 -8.439 -2.240 1.00 0.00 C ATOM 955 O ILE A 61 2.269 -9.061 -3.279 1.00 0.00 O ATOM 956 CB ILE A 61 1.252 -6.007 -2.331 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.065 -5.137 -2.779 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.370 -5.822 -3.370 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.647 -4.508 -1.588 1.00 0.00 C ATOM 0 H ILE A 61 -0.071 -6.902 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 61 0.235 -7.713 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 61 1.597 -5.697 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.419 -4.353 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.640 -5.745 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.628 -4.765 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.249 -6.390 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.027 -6.179 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.480 -3.900 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.023 -5.294 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.052 -3.879 -1.037 1.00 0.00 H new ATOM 971 N GLU A 62 2.829 -8.564 -1.157 1.00 0.00 N ATOM 972 CA GLU A 62 4.027 -9.411 -1.143 1.00 0.00 C ATOM 973 C GLU A 62 3.627 -10.813 -1.616 1.00 0.00 C ATOM 974 O GLU A 62 4.230 -11.388 -2.521 1.00 0.00 O ATOM 975 CB GLU A 62 4.669 -9.456 0.253 1.00 0.00 C ATOM 976 CG GLU A 62 5.023 -8.036 0.709 1.00 0.00 C ATOM 977 CD GLU A 62 5.819 -7.957 2.002 1.00 0.00 C ATOM 978 OE1 GLU A 62 6.086 -9.015 2.604 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.074 -6.811 2.439 1.00 0.00 O ATOM 0 H GLU A 62 2.648 -8.086 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 62 4.778 -8.994 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.982 -9.915 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.566 -10.075 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.593 -7.548 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.100 -7.469 0.833 1.00 0.00 H new ATOM 986 N ALA A 63 2.541 -11.316 -1.023 1.00 0.00 N ATOM 987 CA ALA A 63 1.957 -12.614 -1.302 1.00 0.00 C ATOM 988 C ALA A 63 1.514 -12.800 -2.760 1.00 0.00 C ATOM 989 O ALA A 63 1.402 -13.940 -3.202 1.00 0.00 O ATOM 990 CB ALA A 63 0.794 -12.835 -0.335 1.00 0.00 C ATOM 0 H ALA A 63 2.029 -10.801 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 63 2.731 -13.367 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.340 -13.807 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.162 -12.804 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.049 -12.052 -0.477 1.00 0.00 H new ATOM 996 N MET A 64 1.271 -11.727 -3.526 1.00 0.00 N ATOM 997 CA MET A 64 1.014 -11.865 -4.956 1.00 0.00 C ATOM 998 C MET A 64 2.248 -12.419 -5.672 1.00 0.00 C ATOM 999 O MET A 64 2.112 -13.088 -6.694 1.00 0.00 O ATOM 1000 CB MET A 64 0.609 -10.526 -5.585 1.00 0.00 C ATOM 1001 CG MET A 64 -0.634 -9.857 -4.985 1.00 0.00 C ATOM 1002 SD MET A 64 -2.248 -10.640 -5.255 1.00 0.00 S ATOM 1003 CE MET A 64 -2.363 -11.786 -3.862 1.00 0.00 C ATOM 0 H MET A 64 1.248 -10.768 -3.180 1.00 0.00 H new ATOM 0 HA MET A 64 0.185 -12.563 -5.074 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.448 -9.836 -5.497 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.436 -10.683 -6.650 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.480 -9.775 -3.909 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.687 -8.842 -5.378 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.547 -12.794 -4.234 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.429 -11.771 -3.301 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.183 -11.485 -3.210 1.00 0.00 H new ATOM 1013 N GLY A 65 3.447 -12.126 -5.156 1.00 0.00 N ATOM 1014 CA GLY A 65 4.692 -12.644 -5.702 1.00 0.00 C ATOM 1015 C GLY A 65 5.785 -11.583 -5.714 1.00 0.00 C ATOM 1016 O GLY A 65 6.956 -11.913 -5.559 1.00 0.00 O ATOM 0 H GLY A 65 3.574 -11.520 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.021 -13.499 -5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.523 -13.004 -6.717 1.00 0.00 H new ATOM 1020 N PHE A 66 5.418 -10.313 -5.914 1.00 0.00 N ATOM 1021 CA PHE A 66 6.369 -9.209 -5.955 1.00 0.00 C ATOM 1022 C PHE A 66 6.855 -8.926 -4.532 1.00 0.00 C ATOM 1023 O PHE A 66 6.073 -8.379 -3.758 1.00 0.00 O ATOM 1024 CB PHE A 66 5.693 -7.959 -6.534 1.00 0.00 C ATOM 1025 CG PHE A 66 5.450 -8.046 -8.027 1.00 0.00 C ATOM 1026 CD1 PHE A 66 4.263 -8.615 -8.525 1.00 0.00 C ATOM 1027 CD2 PHE A 66 6.484 -7.698 -8.913 1.00 0.00 C ATOM 1028 CE1 PHE A 66 4.122 -8.852 -9.904 1.00 0.00 C ATOM 1029 CE2 PHE A 66 6.351 -7.950 -10.287 1.00 0.00 C ATOM 1030 CZ PHE A 66 5.167 -8.522 -10.785 1.00 0.00 C ATOM 0 H PHE A 66 4.449 -10.026 -6.052 1.00 0.00 H new ATOM 0 HA PHE A 66 7.215 -9.473 -6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.741 -7.801 -6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.314 -7.088 -6.324 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.461 -8.870 -7.848 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.384 -7.235 -8.535 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.211 -9.288 -10.286 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.158 -7.705 -10.962 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.060 -8.708 -11.844 1.00 0.00 H new ATOM 1040 N PRO A 67 8.102 -9.260 -4.154 1.00 0.00 N ATOM 1041 CA PRO A 67 8.574 -9.013 -2.803 1.00 0.00 C ATOM 1042 C PRO A 67 8.631 -7.502 -2.590 1.00 0.00 C ATOM 1043 O PRO A 67 9.328 -6.815 -3.328 1.00 0.00 O ATOM 1044 CB PRO A 67 9.962 -9.657 -2.735 1.00 0.00 C ATOM 1045 CG PRO A 67 10.466 -9.573 -4.176 1.00 0.00 C ATOM 1046 CD PRO A 67 9.189 -9.734 -5.002 1.00 0.00 C ATOM 0 HA PRO A 67 7.931 -9.428 -2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.619 -9.123 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.909 -10.689 -2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.958 -8.621 -4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.190 -10.358 -4.396 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.245 -9.156 -5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.037 -10.775 -5.287 1.00 0.00 H new ATOM 1054 N ALA A 68 7.871 -6.970 -1.630 1.00 0.00 N ATOM 1055 CA ALA A 68 7.755 -5.535 -1.418 1.00 0.00 C ATOM 1056 C ALA A 68 8.178 -5.170 0.008 1.00 0.00 C ATOM 1057 O ALA A 68 8.804 -5.982 0.686 1.00 0.00 O ATOM 1058 CB ALA A 68 6.319 -5.141 -1.742 1.00 0.00 C ATOM 0 H ALA A 68 7.319 -7.528 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 68 8.425 -4.976 -2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.194 -4.068 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.098 -5.392 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.637 -5.680 -1.085 1.00 0.00 H new ATOM 1064 N PHE A 69 7.894 -3.939 0.460 1.00 0.00 N ATOM 1065 CA PHE A 69 8.340 -3.488 1.772 1.00 0.00 C ATOM 1066 C PHE A 69 7.540 -2.293 2.299 1.00 0.00 C ATOM 1067 O PHE A 69 7.040 -1.489 1.510 1.00 0.00 O ATOM 1068 CB PHE A 69 9.842 -3.171 1.712 1.00 0.00 C ATOM 1069 CG PHE A 69 10.537 -3.265 3.049 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.948 -4.521 3.527 1.00 0.00 C ATOM 1071 CD2 PHE A 69 10.748 -2.114 3.829 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.582 -4.626 4.776 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.357 -2.223 5.090 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.782 -3.477 5.561 1.00 0.00 C ATOM 0 H PHE A 69 7.360 -3.247 -0.066 1.00 0.00 H new ATOM 0 HA PHE A 69 8.162 -4.296 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.321 -3.858 1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.976 -2.166 1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.776 -5.407 2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.442 -1.147 3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.916 -5.589 5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.499 -1.342 5.698 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.262 -3.558 6.525 1.00 0.00 H new ATOM 1084 N VAL A 70 7.437 -2.188 3.630 1.00 0.00 N ATOM 1085 CA VAL A 70 6.748 -1.134 4.371 1.00 0.00 C ATOM 1086 C VAL A 70 7.789 -0.187 4.964 1.00 0.00 C ATOM 1087 O VAL A 70 8.715 -0.639 5.631 1.00 0.00 O ATOM 1088 CB VAL A 70 5.903 -1.761 5.497 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.402 -0.717 6.506 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.701 -2.489 4.893 1.00 0.00 C ATOM 0 H VAL A 70 7.858 -2.879 4.251 1.00 0.00 H new ATOM 0 HA VAL A 70 6.088 -0.580 3.704 1.00 0.00 H new ATOM 0 HB VAL A 70 6.547 -2.459 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.812 -1.211 7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.254 -0.216 6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.783 0.018 5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.105 -2.932 5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.090 -1.780 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.050 -3.274 4.223 1.00 0.00 H new