USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.5!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.105 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 175:sc= -1.43 (180deg=-1.56) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -42:sc= 0.304 USER MOD Single : B 4 LYS NZ :NH3+ 167:sc= 0.983 (180deg=0.765) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0975 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 87:sc= 0.418 USER MOD Single : B 26 MET CE :methyl 178:sc= -1.98! (180deg=-2.04!) USER MOD Single : B 29 LYS NZ :NH3+ -163:sc=-0.00364 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 1.012 -0.663 -11.488 1.00 0.00 N ATOM 32 CA THR A 3 -0.319 -0.250 -11.899 1.00 0.00 C ATOM 33 C THR A 3 -1.278 -0.281 -10.708 1.00 0.00 C ATOM 34 O THR A 3 -1.017 -0.954 -9.712 1.00 0.00 O ATOM 35 CB THR A 3 -0.757 -1.152 -13.055 1.00 0.00 C ATOM 36 OG1 THR A 3 -0.541 -2.473 -12.566 1.00 0.00 O ATOM 37 CG2 THR A 3 0.173 -1.046 -14.265 1.00 0.00 C ATOM 0 HA THR A 3 -0.322 0.781 -12.252 1.00 0.00 H new ATOM 0 HB THR A 3 -1.772 -0.892 -13.354 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.800 -3.122 -13.253 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.183 -1.706 -15.056 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.183 -0.018 -14.627 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.182 -1.339 -13.975 1.00 0.00 H new ATOM 45 N LYS A 4 -2.369 0.458 -10.849 1.00 0.00 N ATOM 46 CA LYS A 4 -3.372 0.520 -9.799 1.00 0.00 C ATOM 47 C LYS A 4 -3.819 -0.900 -9.442 1.00 0.00 C ATOM 48 O LYS A 4 -3.910 -1.248 -8.266 1.00 0.00 O ATOM 49 CB LYS A 4 -4.522 1.441 -10.210 1.00 0.00 C ATOM 50 CG LYS A 4 -4.190 2.903 -9.902 1.00 0.00 C ATOM 51 CD LYS A 4 -3.949 3.693 -11.189 1.00 0.00 C ATOM 52 CE LYS A 4 -5.268 4.192 -11.782 1.00 0.00 C ATOM 53 NZ LYS A 4 -5.274 4.016 -13.252 1.00 0.00 N ATOM 0 H LYS A 4 -2.580 1.019 -11.674 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.950 0.959 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.722 1.326 -11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.431 1.152 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.008 3.355 -9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.304 2.953 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.295 4.541 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.435 3.064 -11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.102 3.646 -11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.410 5.244 -11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.176 4.360 -13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.490 4.557 -13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.160 3.008 -13.481 1.00 0.00 H new ATOM 67 N ASP A 5 -4.085 -1.680 -10.479 1.00 0.00 N ATOM 68 CA ASP A 5 -4.565 -3.038 -10.290 1.00 0.00 C ATOM 69 C ASP A 5 -3.543 -3.826 -9.467 1.00 0.00 C ATOM 70 O ASP A 5 -3.909 -4.531 -8.527 1.00 0.00 O ATOM 71 CB ASP A 5 -4.742 -3.752 -11.631 1.00 0.00 C ATOM 72 CG ASP A 5 -6.069 -3.476 -12.341 1.00 0.00 C ATOM 73 OD1 ASP A 5 -6.545 -2.325 -12.227 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.579 -4.421 -12.980 1.00 0.00 O ATOM 0 H ASP A 5 -3.977 -1.397 -11.453 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.526 -2.987 -9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.926 -3.459 -12.292 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.651 -4.826 -11.468 1.00 0.00 H new ATOM 79 N GLN A 6 -2.284 -3.679 -9.849 1.00 0.00 N ATOM 80 CA GLN A 6 -1.209 -4.389 -9.176 1.00 0.00 C ATOM 81 C GLN A 6 -1.283 -4.155 -7.666 1.00 0.00 C ATOM 82 O GLN A 6 -0.862 -5.003 -6.881 1.00 0.00 O ATOM 83 CB GLN A 6 0.155 -3.972 -9.729 1.00 0.00 C ATOM 84 CG GLN A 6 0.559 -4.854 -10.912 1.00 0.00 C ATOM 85 CD GLN A 6 1.680 -5.818 -10.519 1.00 0.00 C ATOM 86 OE1 GLN A 6 1.928 -6.081 -9.354 1.00 0.00 O ATOM 87 NE2 GLN A 6 2.342 -6.329 -11.554 1.00 0.00 N ATOM 0 H GLN A 6 -1.983 -3.078 -10.617 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.330 -5.456 -9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.121 -2.929 -10.043 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.907 -4.044 -8.944 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.305 -5.419 -11.261 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.887 -4.228 -11.742 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.083 -6.067 -12.505 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.109 -6.983 -11.396 1.00 0.00 H new ATOM 96 N ILE A 7 -1.822 -2.999 -7.304 1.00 0.00 N ATOM 97 CA ILE A 7 -1.932 -2.631 -5.903 1.00 0.00 C ATOM 98 C ILE A 7 -3.173 -3.293 -5.301 1.00 0.00 C ATOM 99 O ILE A 7 -3.201 -3.601 -4.111 1.00 0.00 O ATOM 100 CB ILE A 7 -1.909 -1.109 -5.746 1.00 0.00 C ATOM 101 CG1 ILE A 7 -0.597 -0.523 -6.272 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.178 -0.703 -4.296 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.691 0.998 -6.406 1.00 0.00 C ATOM 0 H ILE A 7 -2.187 -2.306 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.072 -2.999 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.713 -0.691 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.218 -0.782 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.360 -0.963 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.156 0.384 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.158 -1.071 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.412 -1.132 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.254 1.389 -6.782 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.491 1.253 -7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.903 1.437 -5.431 1.00 0.00 H new ATOM 115 N ILE A 8 -4.169 -3.492 -6.151 1.00 0.00 N ATOM 116 CA ILE A 8 -5.413 -4.103 -5.716 1.00 0.00 C ATOM 117 C ILE A 8 -5.142 -5.544 -5.277 1.00 0.00 C ATOM 118 O ILE A 8 -5.537 -5.948 -4.184 1.00 0.00 O ATOM 119 CB ILE A 8 -6.480 -3.983 -6.807 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.739 -2.518 -7.161 1.00 0.00 C ATOM 121 CG2 ILE A 8 -7.763 -4.711 -6.402 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.262 -1.745 -5.949 1.00 0.00 C ATOM 0 H ILE A 8 -4.140 -3.241 -7.139 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.814 -3.575 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.105 -4.470 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.818 -2.059 -7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.462 -2.459 -7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.504 -4.610 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.547 -5.767 -6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.154 -4.275 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.438 -0.706 -6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.196 -2.192 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.526 -1.785 -5.146 1.00 0.00 H new ATOM 134 N GLU A 9 -4.471 -6.279 -6.151 1.00 0.00 N ATOM 135 CA GLU A 9 -4.171 -7.674 -5.881 1.00 0.00 C ATOM 136 C GLU A 9 -3.169 -7.789 -4.731 1.00 0.00 C ATOM 137 O GLU A 9 -3.016 -8.857 -4.140 1.00 0.00 O ATOM 138 CB GLU A 9 -3.647 -8.375 -7.136 1.00 0.00 C ATOM 139 CG GLU A 9 -2.255 -7.862 -7.510 1.00 0.00 C ATOM 140 CD GLU A 9 -1.165 -8.787 -6.965 1.00 0.00 C ATOM 141 OE1 GLU A 9 -1.028 -9.896 -7.526 1.00 0.00 O ATOM 142 OE2 GLU A 9 -0.493 -8.365 -5.999 1.00 0.00 O ATOM 0 H GLU A 9 -4.127 -5.934 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.094 -8.172 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.608 -9.451 -6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.335 -8.207 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.169 -7.792 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.115 -6.856 -7.113 1.00 0.00 H new ATOM 149 N ALA A 10 -2.512 -6.674 -4.447 1.00 0.00 N ATOM 150 CA ALA A 10 -1.506 -6.644 -3.399 1.00 0.00 C ATOM 151 C ALA A 10 -2.198 -6.612 -2.034 1.00 0.00 C ATOM 152 O ALA A 10 -1.725 -7.226 -1.080 1.00 0.00 O ATOM 153 CB ALA A 10 -0.582 -5.443 -3.612 1.00 0.00 C ATOM 0 H ALA A 10 -2.657 -5.784 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.888 -7.541 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.173 -5.421 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.093 -5.528 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.167 -4.524 -3.580 1.00 0.00 H new ATOM 159 N VAL A 11 -3.308 -5.890 -1.986 1.00 0.00 N ATOM 160 CA VAL A 11 -4.083 -5.790 -0.761 1.00 0.00 C ATOM 161 C VAL A 11 -4.832 -7.104 -0.529 1.00 0.00 C ATOM 162 O VAL A 11 -5.147 -7.450 0.609 1.00 0.00 O ATOM 163 CB VAL A 11 -5.012 -4.576 -0.827 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.048 -4.617 0.298 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.213 -3.272 -0.790 1.00 0.00 C ATOM 0 H VAL A 11 -3.689 -5.369 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.427 -5.634 0.095 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.547 -4.614 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.696 -3.743 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.649 -5.522 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.539 -4.615 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.897 -2.425 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.639 -3.223 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.533 -3.238 -1.641 1.00 0.00 H new ATOM 175 N ALA A 12 -5.096 -7.800 -1.625 1.00 0.00 N ATOM 176 CA ALA A 12 -5.798 -9.070 -1.554 1.00 0.00 C ATOM 177 C ALA A 12 -4.782 -10.199 -1.370 1.00 0.00 C ATOM 178 O ALA A 12 -5.110 -11.370 -1.557 1.00 0.00 O ATOM 179 CB ALA A 12 -6.652 -9.252 -2.810 1.00 0.00 C ATOM 0 H ALA A 12 -4.836 -7.508 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.471 -9.090 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.179 -10.205 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.376 -8.440 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.010 -9.241 -3.691 1.00 0.00 H new ATOM 185 N ALA A 13 -3.570 -9.808 -1.008 1.00 0.00 N ATOM 186 CA ALA A 13 -2.505 -10.774 -0.792 1.00 0.00 C ATOM 187 C ALA A 13 -2.207 -10.871 0.706 1.00 0.00 C ATOM 188 O ALA A 13 -1.757 -11.910 1.187 1.00 0.00 O ATOM 189 CB ALA A 13 -1.275 -10.369 -1.606 1.00 0.00 C ATOM 0 H ALA A 13 -3.301 -8.836 -0.859 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.809 -11.764 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.477 -11.093 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.532 -10.343 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.939 -9.382 -1.290 1.00 0.00 H new ATOM 195 N MET A 14 -2.469 -9.774 1.401 1.00 0.00 N ATOM 196 CA MET A 14 -2.219 -9.717 2.831 1.00 0.00 C ATOM 197 C MET A 14 -3.480 -10.069 3.623 1.00 0.00 C ATOM 198 O MET A 14 -4.561 -10.198 3.051 1.00 0.00 O ATOM 199 CB MET A 14 -1.753 -8.311 3.213 1.00 0.00 C ATOM 200 CG MET A 14 -0.512 -7.909 2.413 1.00 0.00 C ATOM 201 SD MET A 14 -0.671 -6.224 1.845 1.00 0.00 S ATOM 202 CE MET A 14 1.038 -5.856 1.484 1.00 0.00 C ATOM 0 H MET A 14 -2.852 -8.918 1.000 1.00 0.00 H new ATOM 0 HA MET A 14 -1.445 -10.445 3.074 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.555 -7.596 3.031 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.530 -8.275 4.279 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.379 -8.010 3.033 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.385 -8.578 1.562 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.120 -4.834 1.115 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.633 -5.963 2.391 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.406 -6.546 0.725 1.00 0.00 H new ATOM 212 N SER A 15 -3.300 -10.215 4.928 1.00 0.00 N ATOM 213 CA SER A 15 -4.403 -10.581 5.800 1.00 0.00 C ATOM 214 C SER A 15 -5.286 -9.360 6.066 1.00 0.00 C ATOM 215 O SER A 15 -4.879 -8.228 5.812 1.00 0.00 O ATOM 216 CB SER A 15 -3.892 -11.165 7.118 1.00 0.00 C ATOM 217 OG SER A 15 -2.578 -10.712 7.429 1.00 0.00 O ATOM 0 H SER A 15 -2.406 -10.086 5.402 1.00 0.00 H new ATOM 0 HA SER A 15 -4.995 -11.348 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.571 -10.888 7.924 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.895 -12.253 7.058 1.00 0.00 H new ATOM 0 HG SER A 15 -2.289 -11.106 8.278 1.00 0.00 H new ATOM 223 N VAL A 16 -6.479 -9.632 6.575 1.00 0.00 N ATOM 224 CA VAL A 16 -7.437 -8.574 6.843 1.00 0.00 C ATOM 225 C VAL A 16 -6.807 -7.548 7.788 1.00 0.00 C ATOM 226 O VAL A 16 -6.930 -6.344 7.572 1.00 0.00 O ATOM 227 CB VAL A 16 -8.736 -9.170 7.388 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.662 -8.074 7.921 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.441 -10.014 6.325 1.00 0.00 C ATOM 0 H VAL A 16 -6.803 -10.570 6.809 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.696 -8.051 5.922 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.480 -9.826 8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.578 -8.525 8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.162 -7.534 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.907 -7.381 7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.361 -10.426 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.678 -9.390 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.787 -10.829 6.014 1.00 0.00 H new ATOM 239 N MET A 17 -6.147 -8.064 8.814 1.00 0.00 N ATOM 240 CA MET A 17 -5.500 -7.208 9.794 1.00 0.00 C ATOM 241 C MET A 17 -4.534 -6.233 9.117 1.00 0.00 C ATOM 242 O MET A 17 -4.525 -5.044 9.432 1.00 0.00 O ATOM 243 CB MET A 17 -4.734 -8.071 10.799 1.00 0.00 C ATOM 244 CG MET A 17 -5.613 -8.423 12.001 1.00 0.00 C ATOM 245 SD MET A 17 -6.221 -10.094 11.843 1.00 0.00 S ATOM 246 CE MET A 17 -7.204 -10.207 13.329 1.00 0.00 C ATOM 0 H MET A 17 -6.046 -9.064 8.988 1.00 0.00 H new ATOM 0 HA MET A 17 -6.268 -6.631 10.309 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.393 -8.985 10.313 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.845 -7.539 11.137 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.041 -8.321 12.923 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.450 -7.727 12.067 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.660 -11.195 13.389 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.567 -10.048 14.199 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.985 -9.447 13.307 1.00 0.00 H new ATOM 256 N ASP A 18 -3.744 -6.773 8.200 1.00 0.00 N ATOM 257 CA ASP A 18 -2.759 -5.970 7.495 1.00 0.00 C ATOM 258 C ASP A 18 -3.475 -4.893 6.678 1.00 0.00 C ATOM 259 O ASP A 18 -2.923 -3.820 6.440 1.00 0.00 O ATOM 260 CB ASP A 18 -1.939 -6.828 6.530 1.00 0.00 C ATOM 261 CG ASP A 18 -0.505 -6.347 6.297 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.190 -6.120 7.311 1.00 0.00 O ATOM 263 OD2 ASP A 18 -0.136 -6.218 5.109 1.00 0.00 O ATOM 0 H ASP A 18 -3.766 -7.756 7.929 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.095 -5.524 8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.907 -7.848 6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.455 -6.863 5.571 1.00 0.00 H new ATOM 268 N VAL A 19 -4.694 -5.217 6.271 1.00 0.00 N ATOM 269 CA VAL A 19 -5.480 -4.301 5.461 1.00 0.00 C ATOM 270 C VAL A 19 -6.111 -3.241 6.365 1.00 0.00 C ATOM 271 O VAL A 19 -6.335 -2.109 5.938 1.00 0.00 O ATOM 272 CB VAL A 19 -6.512 -5.081 4.643 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.361 -4.137 3.790 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.835 -6.144 3.777 1.00 0.00 C ATOM 0 H VAL A 19 -5.156 -6.100 6.487 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.843 -3.780 4.746 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.177 -5.591 5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.086 -4.716 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.886 -3.435 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.716 -3.586 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.591 -6.684 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.136 -5.664 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.295 -6.843 4.415 1.00 0.00 H new ATOM 284 N VAL A 20 -6.380 -3.644 7.598 1.00 0.00 N ATOM 285 CA VAL A 20 -6.962 -2.736 8.572 1.00 0.00 C ATOM 286 C VAL A 20 -5.942 -1.651 8.924 1.00 0.00 C ATOM 287 O VAL A 20 -6.289 -0.475 9.019 1.00 0.00 O ATOM 288 CB VAL A 20 -7.447 -3.519 9.794 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.726 -2.582 10.970 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.682 -4.356 9.453 1.00 0.00 C ATOM 0 H VAL A 20 -6.206 -4.587 7.945 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.837 -2.238 8.154 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.652 -4.202 10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.069 -3.164 11.825 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.813 -2.050 11.236 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.495 -1.863 10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.007 -4.903 10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.485 -3.700 9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.435 -5.062 8.660 1.00 0.00 H new ATOM 300 N GLU A 21 -4.704 -2.085 9.109 1.00 0.00 N ATOM 301 CA GLU A 21 -3.630 -1.164 9.441 1.00 0.00 C ATOM 302 C GLU A 21 -3.438 -0.145 8.316 1.00 0.00 C ATOM 303 O GLU A 21 -3.332 1.054 8.571 1.00 0.00 O ATOM 304 CB GLU A 21 -2.329 -1.918 9.724 1.00 0.00 C ATOM 305 CG GLU A 21 -2.321 -2.481 11.147 1.00 0.00 C ATOM 306 CD GLU A 21 -0.918 -2.943 11.546 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.597 -4.112 11.242 1.00 0.00 O ATOM 308 OE2 GLU A 21 -0.198 -2.116 12.146 1.00 0.00 O ATOM 0 H GLU A 21 -4.421 -3.062 9.035 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.906 -0.627 10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.212 -2.730 9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.480 -1.249 9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.669 -1.720 11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.016 -3.318 11.215 1.00 0.00 H new ATOM 315 N LEU A 22 -3.399 -0.658 7.095 1.00 0.00 N ATOM 316 CA LEU A 22 -3.230 0.193 5.930 1.00 0.00 C ATOM 317 C LEU A 22 -4.302 1.285 5.941 1.00 0.00 C ATOM 318 O LEU A 22 -3.988 2.467 6.064 1.00 0.00 O ATOM 319 CB LEU A 22 -3.220 -0.646 4.650 1.00 0.00 C ATOM 320 CG LEU A 22 -2.904 0.108 3.357 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.999 -0.723 2.445 1.00 0.00 C ATOM 322 CD2 LEU A 22 -4.188 0.543 2.648 1.00 0.00 C ATOM 0 H LEU A 22 -3.482 -1.653 6.887 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.263 0.695 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.489 -1.446 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.196 -1.120 4.542 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.356 1.014 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.790 -0.164 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.063 -0.940 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.498 -1.658 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.935 1.077 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.784 -0.336 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.761 1.199 3.303 1.00 0.00 H new ATOM 334 N ILE A 23 -5.547 0.849 5.812 1.00 0.00 N ATOM 335 CA ILE A 23 -6.665 1.776 5.775 1.00 0.00 C ATOM 336 C ILE A 23 -6.513 2.796 6.905 1.00 0.00 C ATOM 337 O ILE A 23 -6.625 4.000 6.678 1.00 0.00 O ATOM 338 CB ILE A 23 -7.992 1.016 5.806 1.00 0.00 C ATOM 339 CG1 ILE A 23 -8.234 0.280 4.486 1.00 0.00 C ATOM 340 CG2 ILE A 23 -9.151 1.951 6.160 1.00 0.00 C ATOM 341 CD1 ILE A 23 -8.774 1.232 3.418 1.00 0.00 C ATOM 0 H ILE A 23 -5.806 -0.134 5.732 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.667 2.335 4.839 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.935 0.261 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.303 -0.169 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.942 -0.534 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.083 1.386 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.977 2.390 7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.220 2.744 5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.937 0.683 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.717 1.661 3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.053 2.031 3.245 1.00 0.00 H new ATOM 353 N SER A 24 -6.262 2.277 8.097 1.00 0.00 N ATOM 354 CA SER A 24 -6.151 3.124 9.273 1.00 0.00 C ATOM 355 C SER A 24 -5.020 4.137 9.084 1.00 0.00 C ATOM 356 O SER A 24 -5.129 5.283 9.517 1.00 0.00 O ATOM 357 CB SER A 24 -5.910 2.288 10.532 1.00 0.00 C ATOM 358 OG SER A 24 -7.129 1.935 11.180 1.00 0.00 O ATOM 0 H SER A 24 -6.132 1.281 8.275 1.00 0.00 H new ATOM 0 HA SER A 24 -7.092 3.660 9.399 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.365 1.382 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.281 2.848 11.224 1.00 0.00 H new ATOM 0 HG SER A 24 -6.933 1.401 11.978 1.00 0.00 H new ATOM 364 N ALA A 25 -3.958 3.677 8.438 1.00 0.00 N ATOM 365 CA ALA A 25 -2.791 4.515 8.224 1.00 0.00 C ATOM 366 C ALA A 25 -3.201 5.761 7.436 1.00 0.00 C ATOM 367 O ALA A 25 -3.194 6.868 7.971 1.00 0.00 O ATOM 368 CB ALA A 25 -1.705 3.706 7.513 1.00 0.00 C ATOM 0 H ALA A 25 -3.882 2.734 8.056 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.378 4.848 9.176 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.829 4.335 7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.429 2.849 8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.082 3.357 6.552 1.00 0.00 H new ATOM 374 N MET A 26 -3.547 5.538 6.176 1.00 0.00 N ATOM 375 CA MET A 26 -3.924 6.633 5.299 1.00 0.00 C ATOM 376 C MET A 26 -4.991 7.515 5.949 1.00 0.00 C ATOM 377 O MET A 26 -4.996 8.730 5.761 1.00 0.00 O ATOM 378 CB MET A 26 -4.460 6.069 3.981 1.00 0.00 C ATOM 379 CG MET A 26 -3.348 5.385 3.184 1.00 0.00 C ATOM 380 SD MET A 26 -4.053 4.409 1.866 1.00 0.00 S ATOM 381 CE MET A 26 -2.563 3.753 1.135 1.00 0.00 C ATOM 0 H MET A 26 -3.574 4.615 5.742 1.00 0.00 H new ATOM 0 HA MET A 26 -3.041 7.244 5.111 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.258 5.355 4.185 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.896 6.873 3.388 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.672 6.134 2.771 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.756 4.749 3.842 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.825 3.047 0.347 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.976 4.568 0.711 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.977 3.243 1.899 1.00 0.00 H new ATOM 391 N GLU A 27 -5.869 6.868 6.702 1.00 0.00 N ATOM 392 CA GLU A 27 -6.958 7.574 7.356 1.00 0.00 C ATOM 393 C GLU A 27 -6.408 8.700 8.234 1.00 0.00 C ATOM 394 O GLU A 27 -6.931 9.814 8.221 1.00 0.00 O ATOM 395 CB GLU A 27 -7.822 6.613 8.174 1.00 0.00 C ATOM 396 CG GLU A 27 -8.969 6.053 7.330 1.00 0.00 C ATOM 397 CD GLU A 27 -10.022 5.381 8.214 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.201 5.865 9.352 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.625 4.398 7.730 1.00 0.00 O ATOM 0 H GLU A 27 -5.848 5.863 6.874 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.593 8.015 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.207 5.794 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.225 7.132 9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.430 6.857 6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.579 5.332 6.611 1.00 0.00 H new ATOM 406 N GLU A 28 -5.361 8.371 8.976 1.00 0.00 N ATOM 407 CA GLU A 28 -4.742 9.338 9.867 1.00 0.00 C ATOM 408 C GLU A 28 -3.773 10.232 9.090 1.00 0.00 C ATOM 409 O GLU A 28 -3.778 11.450 9.257 1.00 0.00 O ATOM 410 CB GLU A 28 -4.031 8.637 11.027 1.00 0.00 C ATOM 411 CG GLU A 28 -3.370 9.655 11.959 1.00 0.00 C ATOM 412 CD GLU A 28 -3.378 9.158 13.407 1.00 0.00 C ATOM 413 OE1 GLU A 28 -2.681 8.153 13.666 1.00 0.00 O ATOM 414 OE2 GLU A 28 -4.081 9.794 14.221 1.00 0.00 O ATOM 0 H GLU A 28 -4.926 7.449 8.979 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.525 9.967 10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.747 8.036 11.588 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.278 7.953 10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.344 9.835 11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.896 10.608 11.895 1.00 0.00 H new ATOM 421 N LYS A 29 -2.966 9.591 8.258 1.00 0.00 N ATOM 422 CA LYS A 29 -1.976 10.311 7.474 1.00 0.00 C ATOM 423 C LYS A 29 -2.661 11.451 6.718 1.00 0.00 C ATOM 424 O LYS A 29 -2.421 12.623 7.004 1.00 0.00 O ATOM 425 CB LYS A 29 -1.206 9.347 6.568 1.00 0.00 C ATOM 426 CG LYS A 29 -0.228 10.104 5.668 1.00 0.00 C ATOM 427 CD LYS A 29 1.134 10.261 6.348 1.00 0.00 C ATOM 428 CE LYS A 29 2.041 11.198 5.547 1.00 0.00 C ATOM 429 NZ LYS A 29 3.423 10.671 5.508 1.00 0.00 N ATOM 0 H LYS A 29 -2.977 8.582 8.109 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.229 10.764 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.661 8.626 7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.907 8.781 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.108 9.570 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.634 11.087 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.998 10.654 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.610 9.285 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.658 11.306 4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.036 12.191 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.026 11.318 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.791 10.591 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.424 9.733 5.058 1.00 0.00 H new ATOM 443 N PHE A 30 -3.500 11.067 5.766 1.00 0.00 N ATOM 444 CA PHE A 30 -4.196 12.042 4.945 1.00 0.00 C ATOM 445 C PHE A 30 -5.305 12.736 5.739 1.00 0.00 C ATOM 446 O PHE A 30 -5.935 13.670 5.246 1.00 0.00 O ATOM 447 CB PHE A 30 -4.824 11.278 3.778 1.00 0.00 C ATOM 448 CG PHE A 30 -3.838 10.927 2.662 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.046 9.827 2.774 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.753 11.716 1.557 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.131 9.502 1.738 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.837 11.391 0.521 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.046 10.291 0.634 1.00 0.00 C ATOM 0 H PHE A 30 -3.713 10.094 5.546 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.498 12.806 4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.270 10.359 4.157 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.633 11.876 3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.113 9.201 3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.382 12.589 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.503 8.628 1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.769 12.017 -0.356 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.350 10.044 -0.154 1.00 0.00 H new ATOM 463 N GLY A 31 -5.509 12.253 6.956 1.00 0.00 N ATOM 464 CA GLY A 31 -6.526 12.819 7.825 1.00 0.00 C ATOM 465 C GLY A 31 -7.814 13.103 7.050 1.00 0.00 C ATOM 466 O GLY A 31 -8.428 14.155 7.222 1.00 0.00 O ATOM 0 H GLY A 31 -4.987 11.476 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.734 12.130 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.155 13.742 8.272 1.00 0.00 H new ATOM 568 N THR B 3 6.006 -2.789 2.764 1.00 0.00 N ATOM 569 CA THR B 3 5.417 -2.277 3.989 1.00 0.00 C ATOM 570 C THR B 3 4.175 -1.441 3.675 1.00 0.00 C ATOM 571 O THR B 3 4.018 -0.952 2.557 1.00 0.00 O ATOM 572 CB THR B 3 6.497 -1.500 4.744 1.00 0.00 C ATOM 573 OG1 THR B 3 6.981 -0.560 3.788 1.00 0.00 O ATOM 574 CG2 THR B 3 7.719 -2.362 5.071 1.00 0.00 C ATOM 0 HA THR B 3 5.071 -3.088 4.630 1.00 0.00 H new ATOM 0 HB THR B 3 6.078 -1.100 5.667 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.072 -0.998 2.916 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.455 -1.762 5.607 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.415 -3.204 5.693 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.159 -2.735 4.146 1.00 0.00 H new ATOM 582 N LYS B 4 3.324 -1.302 4.681 1.00 0.00 N ATOM 583 CA LYS B 4 2.105 -0.527 4.528 1.00 0.00 C ATOM 584 C LYS B 4 2.466 0.921 4.188 1.00 0.00 C ATOM 585 O LYS B 4 1.850 1.529 3.314 1.00 0.00 O ATOM 586 CB LYS B 4 1.223 -0.665 5.770 1.00 0.00 C ATOM 587 CG LYS B 4 0.215 -1.805 5.603 1.00 0.00 C ATOM 588 CD LYS B 4 0.777 -3.118 6.151 1.00 0.00 C ATOM 589 CE LYS B 4 0.551 -3.224 7.661 1.00 0.00 C ATOM 590 NZ LYS B 4 1.468 -4.223 8.254 1.00 0.00 N ATOM 0 H LYS B 4 3.455 -1.713 5.605 1.00 0.00 H new ATOM 0 HA LYS B 4 1.511 -0.911 3.699 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.847 -0.851 6.644 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.693 0.270 5.950 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -0.710 -1.556 6.123 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.034 -1.924 4.548 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.300 -3.960 5.648 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.843 -3.180 5.934 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.712 -2.252 8.128 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -0.483 -3.507 7.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.461 -4.129 9.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.156 -5.180 7.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.432 -4.064 7.898 1.00 0.00 H new ATOM 604 N ASP B 5 3.462 1.431 4.897 1.00 0.00 N ATOM 605 CA ASP B 5 3.872 2.814 4.725 1.00 0.00 C ATOM 606 C ASP B 5 4.277 3.043 3.267 1.00 0.00 C ATOM 607 O ASP B 5 3.944 4.073 2.682 1.00 0.00 O ATOM 608 CB ASP B 5 5.076 3.146 5.608 1.00 0.00 C ATOM 609 CG ASP B 5 4.736 3.521 7.052 1.00 0.00 C ATOM 610 OD1 ASP B 5 3.578 3.263 7.447 1.00 0.00 O ATOM 611 OD2 ASP B 5 5.641 4.056 7.728 1.00 0.00 O ATOM 0 H ASP B 5 3.997 0.911 5.592 1.00 0.00 H new ATOM 0 HA ASP B 5 3.034 3.452 5.005 1.00 0.00 H new ATOM 0 HB2 ASP B 5 5.746 2.287 5.620 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.624 3.971 5.154 1.00 0.00 H new ATOM 616 N GLN B 6 4.989 2.067 2.724 1.00 0.00 N ATOM 617 CA GLN B 6 5.466 2.162 1.354 1.00 0.00 C ATOM 618 C GLN B 6 4.294 2.393 0.399 1.00 0.00 C ATOM 619 O GLN B 6 4.457 3.013 -0.651 1.00 0.00 O ATOM 620 CB GLN B 6 6.256 0.913 0.961 1.00 0.00 C ATOM 621 CG GLN B 6 7.742 1.080 1.283 1.00 0.00 C ATOM 622 CD GLN B 6 8.507 1.623 0.074 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.695 0.952 -0.928 1.00 0.00 O ATOM 624 NE2 GLN B 6 8.936 2.873 0.222 1.00 0.00 N ATOM 0 H GLN B 6 5.247 1.207 3.207 1.00 0.00 H new ATOM 0 HA GLN B 6 6.140 3.015 1.283 1.00 0.00 H new ATOM 0 HB2 GLN B 6 5.861 0.047 1.491 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.131 0.719 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN B 6 7.861 1.758 2.128 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.163 0.120 1.583 1.00 0.00 H new ATOM 0 HE21 GLN B 6 8.745 3.379 1.087 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.456 3.326 -0.529 1.00 0.00 H new ATOM 633 N ILE B 7 3.138 1.883 0.797 1.00 0.00 N ATOM 634 CA ILE B 7 1.942 2.012 -0.018 1.00 0.00 C ATOM 635 C ILE B 7 1.328 3.396 0.199 1.00 0.00 C ATOM 636 O ILE B 7 0.743 3.971 -0.717 1.00 0.00 O ATOM 637 CB ILE B 7 0.975 0.860 0.262 1.00 0.00 C ATOM 638 CG1 ILE B 7 1.534 -0.465 -0.261 1.00 0.00 C ATOM 639 CG2 ILE B 7 -0.414 1.159 -0.304 1.00 0.00 C ATOM 640 CD1 ILE B 7 1.121 -1.629 0.642 1.00 0.00 C ATOM 0 H ILE B 7 3.004 1.379 1.674 1.00 0.00 H new ATOM 0 HA ILE B 7 2.193 1.937 -1.076 1.00 0.00 H new ATOM 0 HB ILE B 7 0.867 0.760 1.342 1.00 0.00 H new ATOM 0 HG12 ILE B 7 1.174 -0.641 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE B 7 2.621 -0.409 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.081 0.324 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.808 2.065 0.157 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.344 1.302 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE B 7 1.531 -2.559 0.248 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.503 -1.462 1.649 1.00 0.00 H new ATOM 0 HD13 ILE B 7 0.034 -1.697 0.674 1.00 0.00 H new ATOM 652 N ILE B 8 1.483 3.892 1.418 1.00 0.00 N ATOM 653 CA ILE B 8 0.944 5.194 1.771 1.00 0.00 C ATOM 654 C ILE B 8 1.557 6.259 0.859 1.00 0.00 C ATOM 655 O ILE B 8 0.840 7.077 0.284 1.00 0.00 O ATOM 656 CB ILE B 8 1.145 5.472 3.262 1.00 0.00 C ATOM 657 CG1 ILE B 8 0.452 4.409 4.116 1.00 0.00 C ATOM 658 CG2 ILE B 8 0.686 6.886 3.623 1.00 0.00 C ATOM 659 CD1 ILE B 8 0.593 4.725 5.606 1.00 0.00 C ATOM 0 H ILE B 8 1.975 3.415 2.174 1.00 0.00 H new ATOM 0 HA ILE B 8 -0.134 5.216 1.609 1.00 0.00 H new ATOM 0 HB ILE B 8 2.212 5.415 3.479 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.604 4.356 3.850 1.00 0.00 H new ATOM 0 HG13 ILE B 8 0.884 3.430 3.906 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.840 7.058 4.688 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.263 7.613 3.051 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.372 6.996 3.387 1.00 0.00 H new ATOM 0 HD11 ILE B 8 0.091 3.954 6.191 1.00 0.00 H new ATOM 0 HD12 ILE B 8 1.649 4.754 5.873 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.139 5.693 5.817 1.00 0.00 H new ATOM 671 N GLU B 9 2.877 6.214 0.754 1.00 0.00 N ATOM 672 CA GLU B 9 3.597 7.189 -0.048 1.00 0.00 C ATOM 673 C GLU B 9 3.211 7.052 -1.522 1.00 0.00 C ATOM 674 O GLU B 9 3.441 7.965 -2.314 1.00 0.00 O ATOM 675 CB GLU B 9 5.109 7.042 0.139 1.00 0.00 C ATOM 676 CG GLU B 9 5.625 5.773 -0.542 1.00 0.00 C ATOM 677 CD GLU B 9 6.643 6.112 -1.633 1.00 0.00 C ATOM 678 OE1 GLU B 9 7.596 6.853 -1.310 1.00 0.00 O ATOM 679 OE2 GLU B 9 6.445 5.621 -2.766 1.00 0.00 O ATOM 0 H GLU B 9 3.467 5.518 1.211 1.00 0.00 H new ATOM 0 HA GLU B 9 3.317 8.187 0.289 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.617 7.913 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.346 7.010 1.202 1.00 0.00 H new ATOM 0 HG2 GLU B 9 6.085 5.119 0.199 1.00 0.00 H new ATOM 0 HG3 GLU B 9 4.790 5.224 -0.977 1.00 0.00 H new ATOM 686 N ALA B 10 2.632 5.906 -1.845 1.00 0.00 N ATOM 687 CA ALA B 10 2.220 5.635 -3.212 1.00 0.00 C ATOM 688 C ALA B 10 0.937 6.411 -3.517 1.00 0.00 C ATOM 689 O ALA B 10 0.748 6.890 -4.634 1.00 0.00 O ATOM 690 CB ALA B 10 2.048 4.126 -3.404 1.00 0.00 C ATOM 0 H ALA B 10 2.438 5.154 -1.184 1.00 0.00 H new ATOM 0 HA ALA B 10 2.983 5.969 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.739 3.923 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA B 10 2.994 3.624 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.288 3.756 -2.716 1.00 0.00 H new ATOM 696 N VAL B 11 0.089 6.512 -2.504 1.00 0.00 N ATOM 697 CA VAL B 11 -1.169 7.224 -2.649 1.00 0.00 C ATOM 698 C VAL B 11 -0.904 8.730 -2.616 1.00 0.00 C ATOM 699 O VAL B 11 -1.751 9.522 -3.027 1.00 0.00 O ATOM 700 CB VAL B 11 -2.156 6.766 -1.574 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.334 7.736 -1.462 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.644 5.341 -1.847 1.00 0.00 C ATOM 0 H VAL B 11 0.249 6.112 -1.579 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.629 6.996 -3.611 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.632 6.763 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.021 7.387 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.965 8.727 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.856 7.786 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.344 5.041 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -3.142 5.306 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.793 4.660 -1.852 1.00 0.00 H new ATOM 712 N ALA B 12 0.274 9.081 -2.121 1.00 0.00 N ATOM 713 CA ALA B 12 0.674 10.476 -2.058 1.00 0.00 C ATOM 714 C ALA B 12 1.542 10.808 -3.274 1.00 0.00 C ATOM 715 O ALA B 12 2.101 11.900 -3.362 1.00 0.00 O ATOM 716 CB ALA B 12 1.395 10.742 -0.736 1.00 0.00 C ATOM 0 H ALA B 12 0.964 8.423 -1.760 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.199 11.128 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.695 11.789 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.726 10.519 0.095 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.279 10.108 -0.670 1.00 0.00 H new ATOM 722 N ALA B 13 1.628 9.846 -4.180 1.00 0.00 N ATOM 723 CA ALA B 13 2.450 10.007 -5.367 1.00 0.00 C ATOM 724 C ALA B 13 1.548 10.249 -6.579 1.00 0.00 C ATOM 725 O ALA B 13 1.958 10.891 -7.545 1.00 0.00 O ATOM 726 CB ALA B 13 3.343 8.777 -5.541 1.00 0.00 C ATOM 0 H ALA B 13 1.142 8.952 -4.116 1.00 0.00 H new ATOM 0 HA ALA B 13 3.104 10.873 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA B 13 3.960 8.898 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA B 13 3.985 8.667 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.721 7.888 -5.648 1.00 0.00 H new ATOM 732 N MET B 14 0.336 9.721 -6.488 1.00 0.00 N ATOM 733 CA MET B 14 -0.605 9.814 -7.591 1.00 0.00 C ATOM 734 C MET B 14 -1.627 10.926 -7.348 1.00 0.00 C ATOM 735 O MET B 14 -1.698 11.480 -6.252 1.00 0.00 O ATOM 736 CB MET B 14 -1.333 8.478 -7.755 1.00 0.00 C ATOM 737 CG MET B 14 -0.347 7.350 -8.063 1.00 0.00 C ATOM 738 SD MET B 14 -1.001 5.793 -7.487 1.00 0.00 S ATOM 739 CE MET B 14 0.428 4.749 -7.724 1.00 0.00 C ATOM 0 H MET B 14 -0.016 9.228 -5.668 1.00 0.00 H new ATOM 0 HA MET B 14 -0.050 10.049 -8.499 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.884 8.246 -6.843 1.00 0.00 H new ATOM 0 HB3 MET B 14 -2.065 8.555 -8.559 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.161 7.301 -9.136 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.610 7.552 -7.583 1.00 0.00 H new ATOM 0 HE1 MET B 14 0.191 3.732 -7.411 1.00 0.00 H new ATOM 0 HE2 MET B 14 0.708 4.749 -8.777 1.00 0.00 H new ATOM 0 HE3 MET B 14 1.258 5.128 -7.128 1.00 0.00 H new ATOM 749 N SER B 15 -2.393 11.220 -8.389 1.00 0.00 N ATOM 750 CA SER B 15 -3.380 12.284 -8.314 1.00 0.00 C ATOM 751 C SER B 15 -4.606 11.807 -7.533 1.00 0.00 C ATOM 752 O SER B 15 -4.799 10.606 -7.346 1.00 0.00 O ATOM 753 CB SER B 15 -3.791 12.752 -9.712 1.00 0.00 C ATOM 754 OG SER B 15 -3.590 11.740 -10.695 1.00 0.00 O ATOM 0 H SER B 15 -2.350 10.740 -9.288 1.00 0.00 H new ATOM 0 HA SER B 15 -2.932 13.130 -7.793 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.841 13.044 -9.702 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.216 13.638 -9.981 1.00 0.00 H new ATOM 0 HG SER B 15 -3.866 12.077 -11.573 1.00 0.00 H new ATOM 760 N VAL B 16 -5.404 12.771 -7.099 1.00 0.00 N ATOM 761 CA VAL B 16 -6.600 12.465 -6.333 1.00 0.00 C ATOM 762 C VAL B 16 -7.496 11.528 -7.146 1.00 0.00 C ATOM 763 O VAL B 16 -7.989 10.529 -6.626 1.00 0.00 O ATOM 764 CB VAL B 16 -7.305 13.760 -5.924 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.638 13.464 -5.233 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.404 14.617 -5.032 1.00 0.00 C ATOM 0 H VAL B 16 -5.246 13.765 -7.263 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.340 11.946 -5.410 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.516 14.327 -6.831 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -9.118 14.401 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.287 12.913 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.460 12.866 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.929 15.531 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -6.148 14.059 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.493 14.871 -5.573 1.00 0.00 H new ATOM 776 N MET B 17 -7.678 11.885 -8.409 1.00 0.00 N ATOM 777 CA MET B 17 -8.503 11.086 -9.300 1.00 0.00 C ATOM 778 C MET B 17 -7.962 9.659 -9.416 1.00 0.00 C ATOM 779 O MET B 17 -8.717 8.695 -9.307 1.00 0.00 O ATOM 780 CB MET B 17 -8.533 11.734 -10.685 1.00 0.00 C ATOM 781 CG MET B 17 -9.655 12.770 -10.781 1.00 0.00 C ATOM 782 SD MET B 17 -9.553 13.639 -12.337 1.00 0.00 S ATOM 783 CE MET B 17 -11.183 13.306 -12.985 1.00 0.00 C ATOM 0 H MET B 17 -7.269 12.716 -8.836 1.00 0.00 H new ATOM 0 HA MET B 17 -9.511 11.040 -8.888 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.574 12.211 -10.888 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.675 10.967 -11.446 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.624 12.278 -10.693 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.580 13.477 -9.955 1.00 0.00 H new ATOM 0 HE1 MET B 17 -11.290 13.780 -13.961 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.321 12.230 -13.087 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.934 13.705 -12.303 1.00 0.00 H new ATOM 793 N ASP B 18 -6.658 9.571 -9.635 1.00 0.00 N ATOM 794 CA ASP B 18 -6.009 8.278 -9.777 1.00 0.00 C ATOM 795 C ASP B 18 -6.202 7.472 -8.491 1.00 0.00 C ATOM 796 O ASP B 18 -6.281 6.245 -8.530 1.00 0.00 O ATOM 797 CB ASP B 18 -4.507 8.440 -10.014 1.00 0.00 C ATOM 798 CG ASP B 18 -3.740 7.131 -10.216 1.00 0.00 C ATOM 799 OD1 ASP B 18 -3.754 6.314 -9.271 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.157 6.979 -11.311 1.00 0.00 O ATOM 0 H ASP B 18 -6.034 10.373 -9.718 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.455 7.767 -10.630 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.359 9.070 -10.891 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.075 8.969 -9.165 1.00 0.00 H new ATOM 805 N VAL B 19 -6.271 8.193 -7.382 1.00 0.00 N ATOM 806 CA VAL B 19 -6.409 7.558 -6.083 1.00 0.00 C ATOM 807 C VAL B 19 -7.862 7.123 -5.885 1.00 0.00 C ATOM 808 O VAL B 19 -8.127 6.105 -5.248 1.00 0.00 O ATOM 809 CB VAL B 19 -5.911 8.500 -4.984 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.395 8.039 -3.608 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.387 8.623 -5.017 1.00 0.00 C ATOM 0 H VAL B 19 -6.234 9.212 -7.356 1.00 0.00 H new ATOM 0 HA VAL B 19 -5.791 6.662 -6.028 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.330 9.488 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.028 8.725 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.485 8.027 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.018 7.036 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.059 9.298 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -3.939 7.641 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.075 9.018 -5.984 1.00 0.00 H new ATOM 821 N VAL B 20 -8.765 7.916 -6.442 1.00 0.00 N ATOM 822 CA VAL B 20 -10.185 7.626 -6.334 1.00 0.00 C ATOM 823 C VAL B 20 -10.471 6.262 -6.966 1.00 0.00 C ATOM 824 O VAL B 20 -11.150 5.428 -6.369 1.00 0.00 O ATOM 825 CB VAL B 20 -11.000 8.759 -6.962 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.440 8.316 -7.225 1.00 0.00 C ATOM 827 CG2 VAL B 20 -10.962 10.012 -6.085 1.00 0.00 C ATOM 0 H VAL B 20 -8.541 8.760 -6.970 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.485 7.569 -5.288 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.546 9.008 -7.921 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.998 9.139 -7.671 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.440 7.466 -7.907 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.909 8.027 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.549 10.802 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.380 9.783 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.930 10.345 -5.971 1.00 0.00 H new ATOM 837 N GLU B 21 -9.940 6.078 -8.166 1.00 0.00 N ATOM 838 CA GLU B 21 -10.121 4.826 -8.880 1.00 0.00 C ATOM 839 C GLU B 21 -9.577 3.659 -8.052 1.00 0.00 C ATOM 840 O GLU B 21 -10.256 2.649 -7.877 1.00 0.00 O ATOM 841 CB GLU B 21 -9.455 4.879 -10.257 1.00 0.00 C ATOM 842 CG GLU B 21 -10.330 5.632 -11.261 1.00 0.00 C ATOM 843 CD GLU B 21 -9.887 5.345 -12.697 1.00 0.00 C ATOM 844 OE1 GLU B 21 -8.832 5.891 -13.086 1.00 0.00 O ATOM 845 OE2 GLU B 21 -10.614 4.586 -13.373 1.00 0.00 O ATOM 0 H GLU B 21 -9.384 6.775 -8.662 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.189 4.669 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.484 5.368 -10.177 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.273 3.866 -10.616 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.372 5.339 -11.133 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.274 6.703 -11.066 1.00 0.00 H new ATOM 852 N LEU B 22 -8.358 3.839 -7.565 1.00 0.00 N ATOM 853 CA LEU B 22 -7.718 2.816 -6.756 1.00 0.00 C ATOM 854 C LEU B 22 -8.625 2.462 -5.576 1.00 0.00 C ATOM 855 O LEU B 22 -9.130 1.344 -5.491 1.00 0.00 O ATOM 856 CB LEU B 22 -6.314 3.262 -6.341 1.00 0.00 C ATOM 857 CG LEU B 22 -5.499 2.248 -5.536 1.00 0.00 C ATOM 858 CD1 LEU B 22 -4.134 2.004 -6.183 1.00 0.00 C ATOM 859 CD2 LEU B 22 -5.371 2.684 -4.075 1.00 0.00 C ATOM 0 H LEU B 22 -7.797 4.678 -7.715 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.579 1.904 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -5.754 3.516 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.403 4.175 -5.753 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.033 1.298 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -3.575 1.279 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -4.274 1.617 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.580 2.941 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.787 1.946 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.871 3.651 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -6.363 2.766 -3.631 1.00 0.00 H new ATOM 871 N ILE B 23 -8.804 3.436 -4.696 1.00 0.00 N ATOM 872 CA ILE B 23 -9.600 3.225 -3.499 1.00 0.00 C ATOM 873 C ILE B 23 -10.943 2.603 -3.887 1.00 0.00 C ATOM 874 O ILE B 23 -11.457 1.736 -3.181 1.00 0.00 O ATOM 875 CB ILE B 23 -9.731 4.527 -2.707 1.00 0.00 C ATOM 876 CG1 ILE B 23 -8.384 4.949 -2.117 1.00 0.00 C ATOM 877 CG2 ILE B 23 -10.816 4.409 -1.634 1.00 0.00 C ATOM 878 CD1 ILE B 23 -7.943 3.984 -1.014 1.00 0.00 C ATOM 0 H ILE B 23 -8.412 4.373 -4.788 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.104 2.521 -2.831 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.041 5.315 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -7.631 4.976 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.460 5.959 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -10.889 5.348 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -11.773 4.190 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -10.560 3.605 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -6.983 4.306 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -8.687 3.977 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -7.845 2.980 -1.427 1.00 0.00 H new ATOM 890 N SER B 24 -11.473 3.070 -5.008 1.00 0.00 N ATOM 891 CA SER B 24 -12.785 2.633 -5.453 1.00 0.00 C ATOM 892 C SER B 24 -12.761 1.136 -5.765 1.00 0.00 C ATOM 893 O SER B 24 -13.708 0.417 -5.450 1.00 0.00 O ATOM 894 CB SER B 24 -13.241 3.424 -6.681 1.00 0.00 C ATOM 895 OG SER B 24 -13.871 4.651 -6.322 1.00 0.00 O ATOM 0 H SER B 24 -11.018 3.746 -5.621 1.00 0.00 H new ATOM 0 HA SER B 24 -13.498 2.818 -4.649 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.382 3.631 -7.319 1.00 0.00 H new ATOM 0 HB3 SER B 24 -13.933 2.818 -7.266 1.00 0.00 H new ATOM 0 HG SER B 24 -13.192 5.351 -6.223 1.00 0.00 H new ATOM 901 N ALA B 25 -11.668 0.710 -6.382 1.00 0.00 N ATOM 902 CA ALA B 25 -11.513 -0.687 -6.751 1.00 0.00 C ATOM 903 C ALA B 25 -11.645 -1.558 -5.501 1.00 0.00 C ATOM 904 O ALA B 25 -12.501 -2.439 -5.440 1.00 0.00 O ATOM 905 CB ALA B 25 -10.171 -0.882 -7.460 1.00 0.00 C ATOM 0 H ALA B 25 -10.881 1.308 -6.636 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.296 -0.989 -7.447 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.055 -1.930 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.140 -0.264 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.361 -0.591 -6.791 1.00 0.00 H new ATOM 911 N MET B 26 -10.783 -1.281 -4.533 1.00 0.00 N ATOM 912 CA MET B 26 -10.808 -2.012 -3.277 1.00 0.00 C ATOM 913 C MET B 26 -12.201 -1.968 -2.645 1.00 0.00 C ATOM 914 O MET B 26 -12.711 -2.989 -2.187 1.00 0.00 O ATOM 915 CB MET B 26 -9.789 -1.404 -2.312 1.00 0.00 C ATOM 916 CG MET B 26 -8.359 -1.724 -2.751 1.00 0.00 C ATOM 917 SD MET B 26 -7.198 -1.125 -1.535 1.00 0.00 S ATOM 918 CE MET B 26 -5.737 -0.974 -2.548 1.00 0.00 C ATOM 0 H MET B 26 -10.063 -0.561 -4.593 1.00 0.00 H new ATOM 0 HA MET B 26 -10.554 -3.053 -3.478 1.00 0.00 H new ATOM 0 HB2 MET B 26 -9.926 -0.324 -2.266 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.960 -1.790 -1.307 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.241 -2.800 -2.879 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.155 -1.264 -3.718 1.00 0.00 H new ATOM 0 HE1 MET B 26 -4.919 -0.575 -1.949 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.459 -1.955 -2.934 1.00 0.00 H new ATOM 0 HE3 MET B 26 -5.939 -0.300 -3.380 1.00 0.00 H new ATOM 928 N GLU B 27 -12.775 -0.774 -2.639 1.00 0.00 N ATOM 929 CA GLU B 27 -14.087 -0.578 -2.046 1.00 0.00 C ATOM 930 C GLU B 27 -15.064 -1.640 -2.554 1.00 0.00 C ATOM 931 O GLU B 27 -15.762 -2.274 -1.765 1.00 0.00 O ATOM 932 CB GLU B 27 -14.612 0.831 -2.330 1.00 0.00 C ATOM 933 CG GLU B 27 -14.195 1.805 -1.227 1.00 0.00 C ATOM 934 CD GLU B 27 -15.032 3.084 -1.279 1.00 0.00 C ATOM 935 OE1 GLU B 27 -14.877 3.824 -2.275 1.00 0.00 O ATOM 936 OE2 GLU B 27 -15.808 3.294 -0.322 1.00 0.00 O ATOM 0 H GLU B 27 -12.356 0.067 -3.035 1.00 0.00 H new ATOM 0 HA GLU B 27 -13.995 -0.685 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.230 1.178 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -15.699 0.809 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.312 1.329 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.139 2.053 -1.336 1.00 0.00 H new ATOM 943 N GLU B 28 -15.081 -1.801 -3.869 1.00 0.00 N ATOM 944 CA GLU B 28 -15.995 -2.740 -4.496 1.00 0.00 C ATOM 945 C GLU B 28 -15.507 -4.175 -4.290 1.00 0.00 C ATOM 946 O GLU B 28 -16.268 -5.037 -3.852 1.00 0.00 O ATOM 947 CB GLU B 28 -16.167 -2.428 -5.984 1.00 0.00 C ATOM 948 CG GLU B 28 -17.409 -3.119 -6.550 1.00 0.00 C ATOM 949 CD GLU B 28 -17.024 -4.179 -7.584 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.263 -5.094 -7.203 1.00 0.00 O ATOM 951 OE2 GLU B 28 -17.499 -4.050 -8.733 1.00 0.00 O ATOM 0 H GLU B 28 -14.476 -1.297 -4.517 1.00 0.00 H new ATOM 0 HA GLU B 28 -16.971 -2.637 -4.022 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.250 -1.350 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.283 -2.755 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.972 -3.583 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.064 -2.379 -7.010 1.00 0.00 H new ATOM 958 N LYS B 29 -14.240 -4.388 -4.614 1.00 0.00 N ATOM 959 CA LYS B 29 -13.653 -5.713 -4.511 1.00 0.00 C ATOM 960 C LYS B 29 -13.940 -6.286 -3.121 1.00 0.00 C ATOM 961 O LYS B 29 -14.719 -7.228 -2.983 1.00 0.00 O ATOM 962 CB LYS B 29 -12.165 -5.669 -4.863 1.00 0.00 C ATOM 963 CG LYS B 29 -11.511 -7.036 -4.650 1.00 0.00 C ATOM 964 CD LYS B 29 -11.703 -7.933 -5.875 1.00 0.00 C ATOM 965 CE LYS B 29 -12.771 -8.996 -5.613 1.00 0.00 C ATOM 966 NZ LYS B 29 -12.261 -10.023 -4.676 1.00 0.00 N ATOM 0 H LYS B 29 -13.603 -3.665 -4.948 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.108 -6.389 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.042 -5.361 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.664 -4.922 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.447 -6.907 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.942 -7.517 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.992 -7.326 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.759 -8.415 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.664 -8.528 -5.198 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.064 -9.465 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.863 -10.870 -4.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.286 -10.275 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.276 -9.647 -3.707 1.00 0.00 H new ATOM 980 N PHE B 30 -13.295 -5.693 -2.127 1.00 0.00 N ATOM 981 CA PHE B 30 -13.425 -6.170 -0.761 1.00 0.00 C ATOM 982 C PHE B 30 -14.773 -5.762 -0.164 1.00 0.00 C ATOM 983 O PHE B 30 -15.079 -6.103 0.978 1.00 0.00 O ATOM 984 CB PHE B 30 -12.303 -5.518 0.049 1.00 0.00 C ATOM 985 CG PHE B 30 -10.897 -5.914 -0.404 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.338 -7.070 0.044 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.205 -5.110 -1.255 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.033 -7.438 -0.377 1.00 0.00 C ATOM 989 CE2 PHE B 30 -8.899 -5.478 -1.676 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.341 -6.634 -1.228 1.00 0.00 C ATOM 0 H PHE B 30 -12.681 -4.887 -2.241 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.363 -7.258 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.403 -4.435 -0.018 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.424 -5.785 1.099 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -10.887 -7.708 0.720 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.648 -4.192 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.590 -8.356 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.349 -4.840 -2.352 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.348 -6.914 -1.548 1.00 0.00 H new