USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 525 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 89 ASN : amide:sc= 0.504 K(o=0.97,f=0) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.467 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.09) USER MOD Single : A 29 TYR OH : rot 30:sc=-0.00636 USER MOD Single : A 32 THR OG1 : rot 171:sc= 0.0188 USER MOD Single : A 33 MET CE :methyl -161:sc= -1.29 (180deg=-2.04) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0.834 (180deg=0.716) USER MOD Single : A 35 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.032) USER MOD Single : A 40 CYS SG : rot -15:sc= -0.0867 USER MOD Single : A 41 SER OG : rot 39:sc= 0.926 USER MOD Single : A 43 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0.784 (180deg=0.768) USER MOD Single : A 52 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 100:sc= -0.836 USER MOD Single : A 57 THR OG1 : rot 157:sc= 1.26 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 27 5.864 15.608 4.922 1.00 0.00 N ATOM 26 CA LYS A 27 5.009 14.526 5.416 1.00 0.00 C ATOM 27 C LYS A 27 5.915 13.359 5.815 1.00 0.00 C ATOM 28 O LYS A 27 7.135 13.412 5.638 1.00 0.00 O ATOM 29 CB LYS A 27 3.968 14.113 4.347 1.00 0.00 C ATOM 30 CG LYS A 27 2.539 14.495 4.747 1.00 0.00 C ATOM 31 CD LYS A 27 2.053 13.765 6.010 1.00 0.00 C ATOM 32 CE LYS A 27 0.534 13.565 6.053 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.219 14.842 6.094 1.00 0.00 N ATOM 0 HA LYS A 27 4.439 14.855 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.217 14.589 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.022 13.036 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.490 15.571 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.864 14.270 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.542 12.792 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.362 14.331 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.224 12.995 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.276 12.970 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.173 14.671 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.279 15.519 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.293 15.233 5.133 1.00 0.00 H new ATOM 47 N ARG A 28 5.317 12.319 6.386 1.00 0.00 N ATOM 48 CA ARG A 28 5.924 11.004 6.677 1.00 0.00 C ATOM 49 C ARG A 28 4.855 9.958 7.010 1.00 0.00 C ATOM 50 O ARG A 28 5.026 9.134 7.906 1.00 0.00 O ATOM 51 CB ARG A 28 6.991 11.131 7.777 1.00 0.00 C ATOM 52 CG ARG A 28 6.461 11.888 9.011 1.00 0.00 C ATOM 53 CD ARG A 28 7.088 11.343 10.296 1.00 0.00 C ATOM 54 NE ARG A 28 6.600 9.983 10.625 1.00 0.00 N ATOM 55 CZ ARG A 28 5.348 9.609 10.862 1.00 0.00 C ATOM 56 NH1 ARG A 28 4.369 10.441 11.068 1.00 0.00 N ATOM 57 NH2 ARG A 28 5.001 8.358 10.881 1.00 0.00 N ATOM 0 H ARG A 28 4.341 12.363 6.679 1.00 0.00 H new ATOM 0 HA ARG A 28 6.430 10.650 5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.323 10.137 8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.862 11.651 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.684 12.950 8.915 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.376 11.794 9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.172 11.322 10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.863 12.017 11.122 1.00 0.00 H new ATOM 0 HE ARG A 28 7.307 9.250 10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.542 11.446 11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.428 10.088 11.245 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.698 7.633 10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.032 8.100 11.066 1.00 0.00 H new ATOM 71 N TYR A 29 3.706 10.087 6.351 1.00 0.00 N ATOM 72 CA TYR A 29 2.480 9.346 6.642 1.00 0.00 C ATOM 73 C TYR A 29 2.695 7.835 6.646 1.00 0.00 C ATOM 74 O TYR A 29 3.638 7.311 6.052 1.00 0.00 O ATOM 75 CB TYR A 29 1.415 9.720 5.600 1.00 0.00 C ATOM 76 CG TYR A 29 1.628 9.032 4.272 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.200 7.698 4.094 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.300 9.695 3.229 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.526 6.988 2.932 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.547 9.013 2.040 1.00 0.00 C ATOM 81 CZ TYR A 29 2.192 7.650 1.881 1.00 0.00 C ATOM 82 OH TYR A 29 2.418 6.978 0.727 1.00 0.00 O ATOM 0 H TYR A 29 3.599 10.735 5.570 1.00 0.00 H new ATOM 0 HA TYR A 29 2.152 9.621 7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.429 9.459 5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.423 10.800 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.614 7.219 4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.620 10.719 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.269 5.943 2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.020 9.534 1.221 1.00 0.00 H new ATOM 0 HH TYR A 29 1.709 6.315 0.590 1.00 0.00 H new ATOM 92 N ARG A 30 1.720 7.128 7.207 1.00 0.00 N ATOM 93 CA ARG A 30 1.614 5.679 7.135 1.00 0.00 C ATOM 94 C ARG A 30 0.172 5.303 6.763 1.00 0.00 C ATOM 95 O ARG A 30 -0.777 5.863 7.314 1.00 0.00 O ATOM 96 CB ARG A 30 2.138 5.143 8.479 1.00 0.00 C ATOM 97 CG ARG A 30 2.811 3.763 8.429 1.00 0.00 C ATOM 98 CD ARG A 30 1.853 2.580 8.293 1.00 0.00 C ATOM 99 NE ARG A 30 1.232 2.195 9.578 1.00 0.00 N ATOM 100 CZ ARG A 30 1.661 1.288 10.439 1.00 0.00 C ATOM 101 NH1 ARG A 30 2.803 0.670 10.309 1.00 0.00 N ATOM 102 NH2 ARG A 30 0.911 0.987 11.456 1.00 0.00 N ATOM 0 H ARG A 30 0.963 7.560 7.737 1.00 0.00 H new ATOM 0 HA ARG A 30 2.217 5.216 6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.853 5.861 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.305 5.095 9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.507 3.745 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.401 3.631 9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.070 2.833 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.394 1.726 7.886 1.00 0.00 H new ATOM 0 HE ARG A 30 0.374 2.686 9.829 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.409 0.880 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.090 -0.023 11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.009 1.448 11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.224 0.290 12.132 1.00 0.00 H new ATOM 116 N ILE A 31 0.004 4.395 5.799 1.00 0.00 N ATOM 117 CA ILE A 31 -1.290 3.791 5.413 1.00 0.00 C ATOM 118 C ILE A 31 -1.297 2.311 5.717 1.00 0.00 C ATOM 119 O ILE A 31 -0.234 1.714 5.772 1.00 0.00 O ATOM 120 CB ILE A 31 -1.656 3.959 3.917 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.631 3.321 2.976 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.877 5.419 3.566 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.049 3.309 1.497 1.00 0.00 C ATOM 0 H ILE A 31 0.784 4.044 5.243 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.031 4.332 6.002 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.592 3.421 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.313 3.857 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.449 2.296 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.132 5.505 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.692 5.819 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.966 5.983 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.266 2.840 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.976 2.747 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.202 4.332 1.154 1.00 0.00 H new ATOM 135 N THR A 32 -2.487 1.730 5.804 1.00 0.00 N ATOM 136 CA THR A 32 -2.757 0.295 5.959 1.00 0.00 C ATOM 137 C THR A 32 -3.481 -0.227 4.735 1.00 0.00 C ATOM 138 O THR A 32 -4.255 0.507 4.114 1.00 0.00 O ATOM 139 CB THR A 32 -3.651 0.072 7.184 1.00 0.00 C ATOM 140 OG1 THR A 32 -2.882 0.360 8.326 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.188 -1.360 7.341 1.00 0.00 C ATOM 0 H THR A 32 -3.347 2.277 5.766 1.00 0.00 H new ATOM 0 HA THR A 32 -1.810 -0.231 6.082 1.00 0.00 H new ATOM 0 HB THR A 32 -4.519 0.718 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.461 0.369 9.117 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.809 -1.420 8.235 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.784 -1.623 6.467 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.352 -2.054 7.433 1.00 0.00 H new ATOM 149 N MET A 33 -3.237 -1.501 4.416 1.00 0.00 N ATOM 150 CA MET A 33 -3.753 -2.199 3.247 1.00 0.00 C ATOM 151 C MET A 33 -4.106 -3.659 3.563 1.00 0.00 C ATOM 152 O MET A 33 -3.229 -4.471 3.863 1.00 0.00 O ATOM 153 CB MET A 33 -2.735 -2.130 2.084 1.00 0.00 C ATOM 154 CG MET A 33 -2.099 -0.740 1.895 1.00 0.00 C ATOM 155 SD MET A 33 -1.497 -0.237 0.259 1.00 0.00 S ATOM 156 CE MET A 33 -0.827 -1.791 -0.345 1.00 0.00 C ATOM 0 H MET A 33 -2.646 -2.097 4.996 1.00 0.00 H new ATOM 0 HA MET A 33 -4.672 -1.697 2.945 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.945 -2.859 2.262 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.234 -2.420 1.159 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.834 -0.000 2.212 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.259 -0.671 2.586 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.135 -1.595 -1.164 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.299 -2.298 0.463 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.640 -2.424 -0.701 1.00 0.00 H new ATOM 166 N LYS A 34 -5.397 -3.995 3.488 1.00 0.00 N ATOM 167 CA LYS A 34 -5.951 -5.347 3.700 1.00 0.00 C ATOM 168 C LYS A 34 -7.298 -5.532 3.069 1.00 0.00 C ATOM 169 O LYS A 34 -7.980 -4.534 2.910 1.00 0.00 O ATOM 170 CB LYS A 34 -6.340 -5.629 5.165 1.00 0.00 C ATOM 171 CG LYS A 34 -6.409 -4.498 6.207 1.00 0.00 C ATOM 172 CD LYS A 34 -7.702 -3.700 5.939 1.00 0.00 C ATOM 173 CE LYS A 34 -7.930 -2.555 6.927 1.00 0.00 C ATOM 174 NZ LYS A 34 -9.092 -1.733 6.507 1.00 0.00 N ATOM 0 H LYS A 34 -6.119 -3.309 3.269 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.153 -5.974 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.321 -6.105 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.634 -6.368 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.413 -4.907 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.536 -3.851 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.666 -3.295 4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.553 -4.379 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.103 -2.957 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.037 -1.932 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.308 -1.034 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.866 -1.240 5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.918 -2.348 6.361 1.00 0.00 H new ATOM 188 N ASN A 35 -7.710 -6.788 2.896 1.00 0.00 N ATOM 189 CA ASN A 35 -9.136 -7.107 2.805 1.00 0.00 C ATOM 190 C ASN A 35 -9.460 -8.609 2.722 1.00 0.00 C ATOM 191 O ASN A 35 -10.130 -9.147 3.607 1.00 0.00 O ATOM 192 CB ASN A 35 -9.850 -6.315 1.694 1.00 0.00 C ATOM 193 CG ASN A 35 -11.282 -6.739 1.381 1.00 0.00 C ATOM 194 OD1 ASN A 35 -12.246 -6.169 1.873 1.00 0.00 O ATOM 195 ND2 ASN A 35 -11.462 -7.722 0.528 1.00 0.00 N ATOM 0 H ASN A 35 -7.087 -7.592 2.817 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.539 -6.779 3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.858 -5.262 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.260 -6.398 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.407 -8.011 0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.657 -8.196 0.119 1.00 0.00 H new ATOM 257 N CYS A 40 0.013 -11.712 2.060 1.00 0.00 N ATOM 258 CA CYS A 40 1.005 -11.182 1.119 1.00 0.00 C ATOM 259 C CYS A 40 2.469 -11.283 1.632 1.00 0.00 C ATOM 260 O CYS A 40 2.862 -12.278 2.241 1.00 0.00 O ATOM 261 CB CYS A 40 0.553 -9.780 0.630 1.00 0.00 C ATOM 262 SG CYS A 40 0.415 -8.589 1.999 1.00 0.00 S ATOM 0 HA CYS A 40 1.040 -11.822 0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.266 -9.406 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.410 -9.865 0.126 1.00 0.00 H new ATOM 0 HG CYS A 40 0.423 -9.227 3.132 1.00 0.00 H new ATOM 268 N SER A 41 3.286 -10.273 1.326 1.00 0.00 N ATOM 269 CA SER A 41 4.636 -9.977 1.833 1.00 0.00 C ATOM 270 C SER A 41 5.014 -8.576 1.349 1.00 0.00 C ATOM 271 O SER A 41 4.347 -8.045 0.454 1.00 0.00 O ATOM 272 CB SER A 41 5.692 -10.955 1.307 1.00 0.00 C ATOM 273 OG SER A 41 5.657 -12.179 2.011 1.00 0.00 O ATOM 0 H SER A 41 2.993 -9.569 0.649 1.00 0.00 H new ATOM 0 HA SER A 41 4.615 -10.060 2.920 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.523 -11.139 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.682 -10.508 1.400 1.00 0.00 H new ATOM 0 HG SER A 41 4.726 -12.425 2.193 1.00 0.00 H new ATOM 279 N TRP A 42 6.092 -7.967 1.872 1.00 0.00 N ATOM 280 CA TRP A 42 6.512 -6.681 1.301 1.00 0.00 C ATOM 281 C TRP A 42 6.845 -6.796 -0.176 1.00 0.00 C ATOM 282 O TRP A 42 6.349 -6.007 -0.966 1.00 0.00 O ATOM 283 CB TRP A 42 7.619 -5.971 2.081 1.00 0.00 C ATOM 284 CG TRP A 42 7.977 -4.602 1.546 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.211 -4.050 1.576 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.139 -3.631 0.821 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.206 -2.844 0.896 1.00 0.00 N ATOM 288 CE2 TRP A 42 7.968 -2.567 0.356 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.770 -3.552 0.475 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.483 -1.541 -0.474 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.284 -2.558 -0.376 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.131 -1.565 -0.866 1.00 0.00 C ATOM 0 H TRP A 42 6.658 -8.320 2.644 1.00 0.00 H new ATOM 0 HA TRP A 42 5.640 -6.035 1.399 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.309 -5.872 3.121 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.512 -6.596 2.073 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.073 -4.486 2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.019 -2.235 0.806 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.082 -4.280 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.137 -0.748 -0.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.241 -2.558 -0.658 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.751 -0.816 -1.545 1.00 0.00 H new ATOM 303 N GLN A 43 7.541 -7.857 -0.592 1.00 0.00 N ATOM 304 CA GLN A 43 7.798 -8.075 -2.016 1.00 0.00 C ATOM 305 C GLN A 43 6.556 -8.072 -2.907 1.00 0.00 C ATOM 306 O GLN A 43 6.602 -7.597 -4.041 1.00 0.00 O ATOM 307 CB GLN A 43 8.648 -9.339 -2.242 1.00 0.00 C ATOM 308 CG GLN A 43 8.021 -10.615 -1.647 1.00 0.00 C ATOM 309 CD GLN A 43 8.440 -11.879 -2.395 1.00 0.00 C ATOM 310 OE1 GLN A 43 9.580 -12.323 -2.339 1.00 0.00 O ATOM 311 NE2 GLN A 43 7.540 -12.505 -3.121 1.00 0.00 N ATOM 0 H GLN A 43 7.931 -8.568 0.027 1.00 0.00 H new ATOM 0 HA GLN A 43 8.367 -7.201 -2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.796 -9.481 -3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.634 -9.188 -1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.311 -10.704 -0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.935 -10.527 -1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.587 -12.144 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.794 -13.351 -3.630 1.00 0.00 H new ATOM 320 N ASP A 44 5.438 -8.521 -2.355 1.00 0.00 N ATOM 321 CA ASP A 44 4.210 -8.752 -3.079 1.00 0.00 C ATOM 322 C ASP A 44 3.385 -7.473 -3.161 1.00 0.00 C ATOM 323 O ASP A 44 2.868 -7.133 -4.227 1.00 0.00 O ATOM 324 CB ASP A 44 3.434 -9.822 -2.324 1.00 0.00 C ATOM 325 CG ASP A 44 3.990 -11.255 -2.429 1.00 0.00 C ATOM 326 OD1 ASP A 44 4.860 -11.532 -3.296 1.00 0.00 O ATOM 327 OD2 ASP A 44 3.548 -12.114 -1.635 1.00 0.00 O ATOM 0 H ASP A 44 5.365 -8.739 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 44 4.427 -9.072 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.398 -9.543 -1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.407 -9.824 -2.688 1.00 0.00 H new ATOM 332 N LEU A 45 3.302 -6.734 -2.060 1.00 0.00 N ATOM 333 CA LEU A 45 2.655 -5.434 -2.022 1.00 0.00 C ATOM 334 C LEU A 45 3.465 -4.337 -2.714 1.00 0.00 C ATOM 335 O LEU A 45 2.870 -3.380 -3.191 1.00 0.00 O ATOM 336 CB LEU A 45 2.426 -5.064 -0.565 1.00 0.00 C ATOM 337 CG LEU A 45 1.194 -5.727 0.037 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.152 -5.213 1.471 1.00 0.00 C ATOM 339 CD2 LEU A 45 -0.134 -5.344 -0.616 1.00 0.00 C ATOM 0 H LEU A 45 3.687 -7.026 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 45 1.715 -5.509 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.303 -5.347 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.324 -3.982 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 45 1.286 -6.806 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.291 -5.640 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.066 -5.504 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.069 -4.126 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.949 -5.868 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.286 -4.268 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.115 -5.623 -1.670 1.00 0.00 H new ATOM 351 N LYS A 46 4.793 -4.466 -2.787 1.00 0.00 N ATOM 352 CA LYS A 46 5.710 -3.670 -3.622 1.00 0.00 C ATOM 353 C LYS A 46 5.355 -3.973 -5.052 1.00 0.00 C ATOM 354 O LYS A 46 5.083 -3.047 -5.800 1.00 0.00 O ATOM 355 CB LYS A 46 7.140 -4.099 -3.247 1.00 0.00 C ATOM 356 CG LYS A 46 8.277 -3.307 -3.881 1.00 0.00 C ATOM 357 CD LYS A 46 8.615 -3.654 -5.344 1.00 0.00 C ATOM 358 CE LYS A 46 9.430 -4.948 -5.533 1.00 0.00 C ATOM 359 NZ LYS A 46 8.598 -6.175 -5.716 1.00 0.00 N ATOM 0 H LYS A 46 5.289 -5.167 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 46 5.635 -2.593 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.242 -4.035 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.263 -5.148 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.027 -2.247 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.174 -3.453 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.685 -3.743 -5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.172 -2.824 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.080 -4.831 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.076 -5.087 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.216 -6.986 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.058 -6.361 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.940 -6.033 -6.508 1.00 0.00 H new ATOM 373 N ASP A 47 5.267 -5.247 -5.410 1.00 0.00 N ATOM 374 CA ASP A 47 4.807 -5.596 -6.741 1.00 0.00 C ATOM 375 C ASP A 47 3.465 -4.962 -7.062 1.00 0.00 C ATOM 376 O ASP A 47 3.424 -4.184 -8.012 1.00 0.00 O ATOM 377 CB ASP A 47 4.829 -7.112 -6.968 1.00 0.00 C ATOM 378 CG ASP A 47 5.883 -7.500 -8.012 1.00 0.00 C ATOM 379 OD1 ASP A 47 7.052 -7.067 -7.866 1.00 0.00 O ATOM 380 OD2 ASP A 47 5.532 -8.226 -8.970 1.00 0.00 O ATOM 0 H ASP A 47 5.503 -6.038 -4.811 1.00 0.00 H new ATOM 0 HA ASP A 47 5.514 -5.173 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.040 -7.620 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.846 -7.448 -7.298 1.00 0.00 H new ATOM 385 N LEU A 48 2.432 -5.148 -6.234 1.00 0.00 N ATOM 386 CA LEU A 48 1.163 -4.460 -6.453 1.00 0.00 C ATOM 387 C LEU A 48 1.323 -2.946 -6.537 1.00 0.00 C ATOM 388 O LEU A 48 0.859 -2.337 -7.496 1.00 0.00 O ATOM 389 CB LEU A 48 0.056 -4.890 -5.490 1.00 0.00 C ATOM 390 CG LEU A 48 -1.267 -4.157 -5.814 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.479 -4.896 -5.285 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.304 -2.761 -5.236 1.00 0.00 C ATOM 0 H LEU A 48 2.451 -5.760 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 48 0.824 -4.786 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.094 -5.968 -5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.355 -4.674 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.303 -4.113 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.382 -4.341 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.525 -5.888 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.403 -4.991 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.252 -2.287 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.203 -2.813 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.483 -2.174 -5.649 1.00 0.00 H new ATOM 404 N ALA A 49 1.947 -2.303 -5.565 1.00 0.00 N ATOM 405 CA ALA A 49 2.130 -0.860 -5.560 1.00 0.00 C ATOM 406 C ALA A 49 2.751 -0.356 -6.872 1.00 0.00 C ATOM 407 O ALA A 49 2.277 0.610 -7.476 1.00 0.00 O ATOM 408 CB ALA A 49 2.973 -0.571 -4.322 1.00 0.00 C ATOM 0 H ALA A 49 2.344 -2.771 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 49 1.185 -0.320 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.155 0.501 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.442 -0.911 -3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.925 -1.096 -4.399 1.00 0.00 H new ATOM 414 N ARG A 50 3.732 -1.097 -7.377 1.00 0.00 N ATOM 415 CA ARG A 50 4.399 -0.835 -8.651 1.00 0.00 C ATOM 416 C ARG A 50 3.534 -1.212 -9.874 1.00 0.00 C ATOM 417 O ARG A 50 3.717 -0.625 -10.937 1.00 0.00 O ATOM 418 CB ARG A 50 5.804 -1.457 -8.569 1.00 0.00 C ATOM 419 CG ARG A 50 6.739 -0.642 -7.638 1.00 0.00 C ATOM 420 CD ARG A 50 6.685 -0.704 -6.110 1.00 0.00 C ATOM 421 NE ARG A 50 7.612 0.284 -5.520 1.00 0.00 N ATOM 422 CZ ARG A 50 7.569 0.838 -4.324 1.00 0.00 C ATOM 423 NH1 ARG A 50 6.584 0.658 -3.485 1.00 0.00 N ATOM 424 NH2 ARG A 50 8.533 1.630 -3.970 1.00 0.00 N ATOM 0 H ARG A 50 4.097 -1.921 -6.899 1.00 0.00 H new ATOM 0 HA ARG A 50 4.532 0.233 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.728 -2.481 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.238 -1.507 -9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.758 -0.910 -7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.599 0.405 -7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.669 -0.508 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.948 -1.706 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 50 8.387 0.576 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.796 0.064 -3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.603 1.112 -2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.304 1.814 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.520 2.069 -3.050 1.00 0.00 H new ATOM 438 N GLU A 51 2.532 -2.088 -9.717 1.00 0.00 N ATOM 439 CA GLU A 51 1.424 -2.300 -10.685 1.00 0.00 C ATOM 440 C GLU A 51 0.565 -1.039 -10.827 1.00 0.00 C ATOM 441 O GLU A 51 0.059 -0.689 -11.895 1.00 0.00 O ATOM 442 CB GLU A 51 0.417 -3.402 -10.281 1.00 0.00 C ATOM 443 CG GLU A 51 0.992 -4.807 -10.119 1.00 0.00 C ATOM 444 CD GLU A 51 1.077 -5.619 -11.414 1.00 0.00 C ATOM 445 OE1 GLU A 51 2.145 -5.618 -12.072 1.00 0.00 O ATOM 446 OE2 GLU A 51 0.142 -6.403 -11.699 1.00 0.00 O ATOM 0 H GLU A 51 2.459 -2.688 -8.896 1.00 0.00 H new ATOM 0 HA GLU A 51 1.945 -2.582 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.051 -3.112 -9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.372 -3.438 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.991 -4.728 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.380 -5.355 -9.403 1.00 0.00 H new ATOM 453 N ASN A 52 0.403 -0.391 -9.677 1.00 0.00 N ATOM 454 CA ASN A 52 -0.550 0.662 -9.382 1.00 0.00 C ATOM 455 C ASN A 52 0.028 2.089 -9.397 1.00 0.00 C ATOM 456 O ASN A 52 -0.718 3.058 -9.246 1.00 0.00 O ATOM 457 CB ASN A 52 -1.112 0.239 -8.021 1.00 0.00 C ATOM 458 CG ASN A 52 -2.370 -0.585 -8.190 1.00 0.00 C ATOM 459 OD1 ASN A 52 -3.464 -0.079 -8.380 1.00 0.00 O ATOM 460 ND2 ASN A 52 -2.239 -1.888 -8.169 1.00 0.00 N ATOM 0 H ASN A 52 0.983 -0.610 -8.867 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.313 0.748 -10.156 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.364 -0.339 -7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.329 1.123 -7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.054 -2.485 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.322 -2.306 -8.010 1.00 0.00 H new ATOM 467 N SER A 53 1.342 2.209 -9.611 1.00 0.00 N ATOM 468 CA SER A 53 2.125 3.439 -9.821 1.00 0.00 C ATOM 469 C SER A 53 2.567 4.117 -8.518 1.00 0.00 C ATOM 470 O SER A 53 3.112 5.224 -8.547 1.00 0.00 O ATOM 471 CB SER A 53 1.473 4.434 -10.798 1.00 0.00 C ATOM 472 OG SER A 53 1.176 3.820 -12.046 1.00 0.00 O ATOM 0 H SER A 53 1.938 1.382 -9.645 1.00 0.00 H new ATOM 0 HA SER A 53 3.036 3.093 -10.309 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.557 4.830 -10.359 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.141 5.280 -10.957 1.00 0.00 H new ATOM 0 HG SER A 53 0.762 4.477 -12.643 1.00 0.00 H new ATOM 478 N LEU A 54 2.357 3.462 -7.370 1.00 0.00 N ATOM 479 CA LEU A 54 2.993 3.856 -6.117 1.00 0.00 C ATOM 480 C LEU A 54 4.497 3.598 -6.247 1.00 0.00 C ATOM 481 O LEU A 54 4.969 2.644 -6.872 1.00 0.00 O ATOM 482 CB LEU A 54 2.508 2.982 -4.950 1.00 0.00 C ATOM 483 CG LEU A 54 1.073 3.087 -4.409 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.003 2.516 -2.978 1.00 0.00 C ATOM 485 CD2 LEU A 54 0.546 4.518 -4.421 1.00 0.00 C ATOM 0 H LEU A 54 1.745 2.650 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 54 2.754 4.902 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.659 1.944 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.177 3.174 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 54 0.438 2.502 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.018 2.595 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.305 1.469 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.672 3.080 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.471 4.535 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.185 5.146 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.547 4.898 -5.443 1.00 0.00 H new ATOM 497 N GLU A 55 5.227 4.423 -5.526 1.00 0.00 N ATOM 498 CA GLU A 55 6.637 4.282 -5.229 1.00 0.00 C ATOM 499 C GLU A 55 6.903 4.860 -3.844 1.00 0.00 C ATOM 500 O GLU A 55 7.563 5.876 -3.626 1.00 0.00 O ATOM 501 CB GLU A 55 7.515 4.881 -6.312 1.00 0.00 C ATOM 502 CG GLU A 55 8.962 4.559 -5.915 1.00 0.00 C ATOM 503 CD GLU A 55 9.651 3.569 -6.867 1.00 0.00 C ATOM 504 OE1 GLU A 55 10.209 3.989 -7.912 1.00 0.00 O ATOM 505 OE2 GLU A 55 9.636 2.354 -6.539 1.00 0.00 O ATOM 0 H GLU A 55 4.827 5.262 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 55 6.905 3.225 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.275 4.457 -7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.362 5.958 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.537 5.484 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.971 4.147 -4.906 1.00 0.00 H new ATOM 512 N THR A 56 6.300 4.172 -2.889 1.00 0.00 N ATOM 513 CA THR A 56 6.457 4.386 -1.457 1.00 0.00 C ATOM 514 C THR A 56 7.878 4.033 -0.996 1.00 0.00 C ATOM 515 O THR A 56 8.633 3.358 -1.701 1.00 0.00 O ATOM 516 CB THR A 56 5.463 3.491 -0.723 1.00 0.00 C ATOM 517 OG1 THR A 56 5.759 2.151 -1.075 1.00 0.00 O ATOM 518 CG2 THR A 56 3.997 3.768 -1.030 1.00 0.00 C ATOM 0 H THR A 56 5.655 3.411 -3.100 1.00 0.00 H new ATOM 0 HA THR A 56 6.275 5.438 -1.237 1.00 0.00 H new ATOM 0 HB THR A 56 5.580 3.694 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.282 1.733 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.370 3.082 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.755 4.794 -0.754 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.815 3.627 -2.095 1.00 0.00 H new ATOM 526 N THR A 57 8.244 4.432 0.217 1.00 0.00 N ATOM 527 CA THR A 57 9.548 4.124 0.828 1.00 0.00 C ATOM 528 C THR A 57 9.625 2.646 1.183 1.00 0.00 C ATOM 529 O THR A 57 10.615 1.971 0.890 1.00 0.00 O ATOM 530 CB THR A 57 9.740 4.896 2.145 1.00 0.00 C ATOM 531 OG1 THR A 57 9.415 6.258 1.996 1.00 0.00 O ATOM 532 CG2 THR A 57 11.174 4.837 2.674 1.00 0.00 C ATOM 0 H THR A 57 7.638 4.988 0.820 1.00 0.00 H new ATOM 0 HA THR A 57 10.312 4.404 0.103 1.00 0.00 H new ATOM 0 HB THR A 57 9.071 4.406 2.853 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.182 6.636 2.870 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.242 5.401 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.452 3.799 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.852 5.269 1.938 1.00 0.00 H new ATOM 540 N PHE A 58 8.571 2.161 1.846 1.00 0.00 N ATOM 541 CA PHE A 58 8.537 0.869 2.518 1.00 0.00 C ATOM 542 C PHE A 58 7.133 0.501 2.981 1.00 0.00 C ATOM 543 O PHE A 58 6.243 1.352 2.976 1.00 0.00 O ATOM 544 CB PHE A 58 9.479 0.958 3.734 1.00 0.00 C ATOM 545 CG PHE A 58 8.911 1.185 5.132 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.705 2.490 5.611 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.669 0.088 5.982 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.227 2.695 6.919 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.182 0.292 7.287 1.00 0.00 C ATOM 550 CZ PHE A 58 7.957 1.598 7.755 1.00 0.00 C ATOM 0 H PHE A 58 7.694 2.676 1.929 1.00 0.00 H new ATOM 0 HA PHE A 58 8.854 0.093 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.054 0.032 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.185 1.765 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.914 3.337 4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.858 -0.915 5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.067 3.700 7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.982 -0.554 7.928 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.578 1.758 8.754 1.00 0.00 H new ATOM 560 N SER A 59 6.968 -0.733 3.468 1.00 0.00 N ATOM 561 CA SER A 59 5.771 -1.182 4.173 1.00 0.00 C ATOM 562 C SER A 59 6.088 -2.175 5.294 1.00 0.00 C ATOM 563 O SER A 59 7.011 -2.990 5.204 1.00 0.00 O ATOM 564 CB SER A 59 4.825 -1.848 3.197 1.00 0.00 C ATOM 565 OG SER A 59 3.731 -2.480 3.833 1.00 0.00 O ATOM 0 H SER A 59 7.679 -1.459 3.380 1.00 0.00 H new ATOM 0 HA SER A 59 5.316 -0.298 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.450 -1.102 2.496 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.375 -2.586 2.613 1.00 0.00 H new ATOM 0 HG SER A 59 3.153 -2.891 3.157 1.00 0.00 H new ATOM 571 N SER A 60 5.280 -2.113 6.345 1.00 0.00 N ATOM 572 CA SER A 60 5.205 -3.104 7.418 1.00 0.00 C ATOM 573 C SER A 60 4.314 -4.266 6.956 1.00 0.00 C ATOM 574 O SER A 60 3.107 -4.078 6.793 1.00 0.00 O ATOM 575 CB SER A 60 4.584 -2.445 8.654 1.00 0.00 C ATOM 576 OG SER A 60 5.422 -1.418 9.168 1.00 0.00 O ATOM 0 H SER A 60 4.630 -1.339 6.481 1.00 0.00 H new ATOM 0 HA SER A 60 6.200 -3.478 7.661 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.611 -2.028 8.396 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.414 -3.198 9.424 1.00 0.00 H new ATOM 0 HG SER A 60 5.000 -1.014 9.955 1.00 0.00 H new ATOM 582 N VAL A 61 4.894 -5.452 6.719 1.00 0.00 N ATOM 583 CA VAL A 61 4.194 -6.684 6.273 1.00 0.00 C ATOM 584 C VAL A 61 4.720 -7.910 7.046 1.00 0.00 C ATOM 585 O VAL A 61 5.720 -7.821 7.762 1.00 0.00 O ATOM 586 CB VAL A 61 4.313 -6.912 4.742 1.00 0.00 C ATOM 587 CG1 VAL A 61 3.181 -7.801 4.194 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.245 -5.624 3.919 1.00 0.00 C ATOM 0 H VAL A 61 5.898 -5.593 6.834 1.00 0.00 H new ATOM 0 HA VAL A 61 3.135 -6.550 6.493 1.00 0.00 H new ATOM 0 HB VAL A 61 5.291 -7.382 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.308 -7.931 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.213 -8.774 4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.219 -7.328 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.335 -5.864 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.292 -5.127 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.060 -4.962 4.212 1.00 0.00 H new ATOM 701 N THR A 69 -1.684 -7.961 6.843 1.00 0.00 N ATOM 702 CA THR A 69 -1.937 -6.720 6.112 1.00 0.00 C ATOM 703 C THR A 69 -0.582 -6.125 5.716 1.00 0.00 C ATOM 704 O THR A 69 0.476 -6.600 6.142 1.00 0.00 O ATOM 705 CB THR A 69 -2.728 -5.709 6.969 1.00 0.00 C ATOM 706 OG1 THR A 69 -1.905 -5.032 7.899 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.862 -6.323 7.790 1.00 0.00 C ATOM 0 HA THR A 69 -2.540 -6.936 5.230 1.00 0.00 H new ATOM 0 HB THR A 69 -3.141 -5.032 6.221 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.447 -4.402 8.418 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.363 -5.541 8.361 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.579 -6.800 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.454 -7.067 8.474 1.00 0.00 H new ATOM 715 N GLY A 70 -0.601 -5.078 4.898 1.00 0.00 N ATOM 716 CA GLY A 70 0.562 -4.231 4.665 1.00 0.00 C ATOM 717 C GLY A 70 0.310 -2.861 5.267 1.00 0.00 C ATOM 718 O GLY A 70 -0.844 -2.449 5.395 1.00 0.00 O ATOM 0 H GLY A 70 -1.429 -4.792 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.449 -4.680 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.754 -4.142 3.596 1.00 0.00 H new ATOM 722 N ALA A 71 1.367 -2.126 5.596 1.00 0.00 N ATOM 723 CA ALA A 71 1.223 -0.742 6.011 1.00 0.00 C ATOM 724 C ALA A 71 2.386 0.136 5.519 1.00 0.00 C ATOM 725 O ALA A 71 3.479 0.126 6.085 1.00 0.00 O ATOM 726 CB ALA A 71 0.952 -0.703 7.524 1.00 0.00 C ATOM 0 H ALA A 71 2.328 -2.467 5.582 1.00 0.00 H new ATOM 0 HA ALA A 71 0.358 -0.287 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.842 0.332 7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.036 -1.251 7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.786 -1.162 8.055 1.00 0.00 H new ATOM 732 N LEU A 72 2.133 0.858 4.417 1.00 0.00 N ATOM 733 CA LEU A 72 3.102 1.595 3.601 1.00 0.00 C ATOM 734 C LEU A 72 3.451 2.957 4.232 1.00 0.00 C ATOM 735 O LEU A 72 2.677 3.488 5.023 1.00 0.00 O ATOM 736 CB LEU A 72 2.523 1.846 2.209 1.00 0.00 C ATOM 737 CG LEU A 72 2.418 0.687 1.214 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.774 0.343 0.610 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.722 -0.557 1.751 1.00 0.00 C ATOM 0 H LEU A 72 1.185 0.946 4.051 1.00 0.00 H new ATOM 0 HA LEU A 72 4.006 0.989 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.521 2.254 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.125 2.625 1.741 1.00 0.00 H new ATOM 0 HG LEU A 72 1.765 1.059 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.661 -0.484 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.170 1.212 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.463 0.054 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.696 -1.323 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.268 -0.935 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.704 -0.305 2.047 1.00 0.00 H new ATOM 751 N GLU A 73 4.543 3.576 3.779 1.00 0.00 N ATOM 752 CA GLU A 73 4.951 4.951 4.170 1.00 0.00 C ATOM 753 C GLU A 73 5.571 5.782 3.018 1.00 0.00 C ATOM 754 O GLU A 73 6.220 5.222 2.132 1.00 0.00 O ATOM 755 CB GLU A 73 5.988 4.823 5.306 1.00 0.00 C ATOM 756 CG GLU A 73 6.606 6.125 5.868 1.00 0.00 C ATOM 757 CD GLU A 73 8.076 6.336 5.442 1.00 0.00 C ATOM 758 OE1 GLU A 73 8.327 6.899 4.349 1.00 0.00 O ATOM 759 OE2 GLU A 73 8.992 5.970 6.219 1.00 0.00 O ATOM 0 H GLU A 73 5.187 3.140 3.119 1.00 0.00 H new ATOM 0 HA GLU A 73 4.050 5.484 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.516 4.292 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.802 4.193 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.012 6.975 5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.549 6.106 6.956 1.00 0.00 H new ATOM 766 N PHE A 74 5.415 7.117 3.054 1.00 0.00 N ATOM 767 CA PHE A 74 6.187 8.058 2.224 1.00 0.00 C ATOM 768 C PHE A 74 6.388 9.440 2.886 1.00 0.00 C ATOM 769 O PHE A 74 5.499 9.899 3.609 1.00 0.00 O ATOM 770 CB PHE A 74 5.519 8.319 0.853 1.00 0.00 C ATOM 771 CG PHE A 74 6.517 8.601 -0.250 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.525 7.672 -0.548 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.540 9.851 -0.899 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.545 7.974 -1.463 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.557 10.166 -1.813 1.00 0.00 C ATOM 776 CZ PHE A 74 8.562 9.226 -2.097 1.00 0.00 C ATOM 0 H PHE A 74 4.742 7.578 3.667 1.00 0.00 H new ATOM 0 HA PHE A 74 7.150 7.563 2.101 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.918 7.453 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.837 9.165 0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.516 6.706 -0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.766 10.575 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.313 7.246 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.567 11.131 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.345 9.466 -2.801 1.00 0.00 H new ATOM 786 N PRO A 75 7.469 10.185 2.564 1.00 0.00 N ATOM 787 CA PRO A 75 7.638 11.590 2.941 1.00 0.00 C ATOM 788 C PRO A 75 6.726 12.615 2.225 1.00 0.00 C ATOM 789 O PRO A 75 6.805 13.798 2.572 1.00 0.00 O ATOM 790 CB PRO A 75 9.124 11.908 2.734 1.00 0.00 C ATOM 791 CG PRO A 75 9.555 10.912 1.666 1.00 0.00 C ATOM 792 CD PRO A 75 8.735 9.683 2.039 1.00 0.00 C ATOM 0 HA PRO A 75 7.318 11.699 3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.272 12.937 2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.694 11.781 3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.327 11.266 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.626 10.715 1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.571 9.045 1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.254 9.080 2.784 1.00 0.00 H new ATOM 800 N SER A 76 5.834 12.217 1.301 1.00 0.00 N ATOM 801 CA SER A 76 4.807 13.114 0.739 1.00 0.00 C ATOM 802 C SER A 76 3.447 12.455 0.637 1.00 0.00 C ATOM 803 O SER A 76 3.308 11.426 -0.016 1.00 0.00 O ATOM 804 CB SER A 76 5.129 13.570 -0.684 1.00 0.00 C ATOM 805 OG SER A 76 6.337 14.311 -0.780 1.00 0.00 O ATOM 0 H SER A 76 5.804 11.270 0.924 1.00 0.00 H new ATOM 0 HA SER A 76 4.797 13.953 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.196 12.696 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.307 14.181 -1.057 1.00 0.00 H new ATOM 0 HG SER A 76 6.488 14.572 -1.713 1.00 0.00 H new ATOM 811 N GLU A 77 2.422 13.120 1.179 1.00 0.00 N ATOM 812 CA GLU A 77 1.018 12.706 1.051 1.00 0.00 C ATOM 813 C GLU A 77 0.525 12.514 -0.385 1.00 0.00 C ATOM 814 O GLU A 77 -0.514 11.901 -0.604 1.00 0.00 O ATOM 815 CB GLU A 77 0.071 13.632 1.826 1.00 0.00 C ATOM 816 CG GLU A 77 0.219 15.115 1.464 1.00 0.00 C ATOM 817 CD GLU A 77 -0.657 15.994 2.375 1.00 0.00 C ATOM 818 OE1 GLU A 77 -0.374 16.069 3.594 1.00 0.00 O ATOM 819 OE2 GLU A 77 -1.633 16.610 1.877 1.00 0.00 O ATOM 0 H GLU A 77 2.544 13.972 1.726 1.00 0.00 H new ATOM 0 HA GLU A 77 0.997 11.714 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.957 13.323 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.251 13.509 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.263 15.414 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.064 15.269 0.423 1.00 0.00 H new ATOM 826 N GLU A 78 1.280 12.970 -1.387 1.00 0.00 N ATOM 827 CA GLU A 78 1.066 12.642 -2.800 1.00 0.00 C ATOM 828 C GLU A 78 0.855 11.123 -2.987 1.00 0.00 C ATOM 829 O GLU A 78 -0.163 10.699 -3.534 1.00 0.00 O ATOM 830 CB GLU A 78 2.292 13.114 -3.605 1.00 0.00 C ATOM 831 CG GLU A 78 2.538 14.631 -3.554 1.00 0.00 C ATOM 832 CD GLU A 78 3.884 15.001 -4.214 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.978 14.991 -5.466 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.857 15.313 -3.488 1.00 0.00 O ATOM 0 H GLU A 78 2.075 13.591 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 78 0.168 13.147 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.178 12.602 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.167 12.813 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.726 15.151 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.533 14.968 -2.517 1.00 0.00 H new ATOM 841 N ILE A 79 1.773 10.302 -2.456 1.00 0.00 N ATOM 842 CA ILE A 79 1.781 8.829 -2.588 1.00 0.00 C ATOM 843 C ILE A 79 0.689 8.184 -1.702 1.00 0.00 C ATOM 844 O ILE A 79 0.089 7.172 -2.081 1.00 0.00 O ATOM 845 CB ILE A 79 3.216 8.287 -2.316 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.233 9.091 -3.169 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.363 6.762 -2.523 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.459 8.359 -3.725 1.00 0.00 C ATOM 0 H ILE A 79 2.557 10.651 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 79 1.525 8.547 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 79 3.427 8.436 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.692 9.520 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.590 9.923 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.390 6.464 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.688 6.236 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.114 6.509 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.071 9.056 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.046 7.954 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.134 7.545 -4.373 1.00 0.00 H new ATOM 860 N LEU A 80 0.345 8.828 -0.579 1.00 0.00 N ATOM 861 CA LEU A 80 -0.784 8.445 0.276 1.00 0.00 C ATOM 862 C LEU A 80 -2.109 8.572 -0.482 1.00 0.00 C ATOM 863 O LEU A 80 -2.889 7.626 -0.549 1.00 0.00 O ATOM 864 CB LEU A 80 -0.794 9.327 1.547 1.00 0.00 C ATOM 865 CG LEU A 80 -2.129 9.605 2.275 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.725 8.378 2.929 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.943 10.608 3.405 1.00 0.00 C ATOM 0 H LEU A 80 0.852 9.643 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.668 7.401 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.119 8.866 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.363 10.291 1.278 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.789 9.975 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.660 8.646 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.918 7.619 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.027 7.984 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.900 10.783 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.229 10.213 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.567 11.547 3.000 1.00 0.00 H new ATOM 879 N VAL A 81 -2.356 9.756 -1.049 1.00 0.00 N ATOM 880 CA VAL A 81 -3.630 10.135 -1.683 1.00 0.00 C ATOM 881 C VAL A 81 -3.828 9.340 -2.944 1.00 0.00 C ATOM 882 O VAL A 81 -4.941 8.879 -3.207 1.00 0.00 O ATOM 883 CB VAL A 81 -3.667 11.646 -1.991 1.00 0.00 C ATOM 884 CG1 VAL A 81 -4.872 12.077 -2.839 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.732 12.456 -0.693 1.00 0.00 C ATOM 0 H VAL A 81 -1.659 10.500 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.441 9.914 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.754 11.839 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.828 13.152 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.850 11.553 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.794 11.832 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.757 13.520 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.631 12.185 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.853 12.240 -0.085 1.00 0.00 H new ATOM 895 N GLU A 82 -2.733 9.112 -3.661 1.00 0.00 N ATOM 896 CA GLU A 82 -2.685 8.145 -4.701 1.00 0.00 C ATOM 897 C GLU A 82 -3.223 6.812 -4.165 1.00 0.00 C ATOM 898 O GLU A 82 -4.345 6.469 -4.504 1.00 0.00 O ATOM 899 CB GLU A 82 -1.216 8.032 -5.071 1.00 0.00 C ATOM 900 CG GLU A 82 -0.697 8.828 -6.257 1.00 0.00 C ATOM 901 CD GLU A 82 -1.640 8.939 -7.463 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.794 7.957 -8.223 1.00 0.00 O ATOM 903 OE2 GLU A 82 -2.248 10.016 -7.664 1.00 0.00 O ATOM 0 H GLU A 82 -1.854 9.610 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.288 8.417 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.632 8.323 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.003 6.980 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.458 9.835 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.236 8.375 -6.592 1.00 0.00 H new ATOM 910 N ALA A 83 -2.521 6.105 -3.275 1.00 0.00 N ATOM 911 CA ALA A 83 -2.961 4.780 -2.799 1.00 0.00 C ATOM 912 C ALA A 83 -4.429 4.743 -2.325 1.00 0.00 C ATOM 913 O ALA A 83 -5.177 3.844 -2.701 1.00 0.00 O ATOM 914 CB ALA A 83 -2.032 4.320 -1.677 1.00 0.00 C ATOM 0 H ALA A 83 -1.643 6.424 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.908 4.101 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.351 3.341 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.011 4.254 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.070 5.036 -0.856 1.00 0.00 H new ATOM 920 N LEU A 84 -4.871 5.764 -1.599 1.00 0.00 N ATOM 921 CA LEU A 84 -6.241 5.905 -1.078 1.00 0.00 C ATOM 922 C LEU A 84 -7.276 6.059 -2.185 1.00 0.00 C ATOM 923 O LEU A 84 -8.437 5.699 -1.994 1.00 0.00 O ATOM 924 CB LEU A 84 -6.363 7.114 -0.129 1.00 0.00 C ATOM 925 CG LEU A 84 -5.592 7.109 1.182 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.459 7.717 2.273 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.140 5.727 1.610 1.00 0.00 C ATOM 0 H LEU A 84 -4.270 6.548 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.442 4.982 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.058 8.000 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.419 7.237 0.112 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.689 7.698 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.912 7.716 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.717 8.741 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.371 7.130 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.597 5.797 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.010 5.084 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.488 5.305 0.846 1.00 0.00 H new ATOM 939 N GLU A 85 -6.864 6.552 -3.356 1.00 0.00 N ATOM 940 CA GLU A 85 -7.690 6.565 -4.551 1.00 0.00 C ATOM 941 C GLU A 85 -7.343 5.467 -5.585 1.00 0.00 C ATOM 942 O GLU A 85 -8.070 5.324 -6.574 1.00 0.00 O ATOM 943 CB GLU A 85 -7.563 7.932 -5.237 1.00 0.00 C ATOM 944 CG GLU A 85 -8.035 9.146 -4.430 1.00 0.00 C ATOM 945 CD GLU A 85 -7.775 10.476 -5.181 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.404 10.468 -6.392 1.00 0.00 O ATOM 947 OE2 GLU A 85 -7.987 11.555 -4.579 1.00 0.00 O ATOM 0 H GLU A 85 -5.938 6.956 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.706 6.365 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.517 8.085 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.128 7.900 -6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.100 9.050 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.521 9.165 -3.469 1.00 0.00 H new ATOM 954 N ARG A 86 -6.256 4.693 -5.416 1.00 0.00 N ATOM 955 CA ARG A 86 -5.672 3.799 -6.431 1.00 0.00 C ATOM 956 C ARG A 86 -5.801 2.334 -6.043 1.00 0.00 C ATOM 957 O ARG A 86 -5.912 1.489 -6.928 1.00 0.00 O ATOM 958 CB ARG A 86 -4.192 4.217 -6.651 1.00 0.00 C ATOM 959 CG ARG A 86 -3.930 5.162 -7.847 1.00 0.00 C ATOM 960 CD ARG A 86 -4.870 6.371 -7.717 1.00 0.00 C ATOM 961 NE ARG A 86 -4.560 7.580 -8.495 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.370 8.622 -8.365 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.665 8.501 -8.313 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.922 9.825 -8.200 1.00 0.00 N ATOM 0 H ARG A 86 -5.741 4.673 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.222 3.901 -7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.832 4.702 -5.743 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.596 3.315 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.890 5.488 -7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.107 4.642 -8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.872 6.045 -7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.906 6.653 -6.665 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.750 7.616 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.094 7.577 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.251 9.330 -8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.917 9.995 -8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.574 10.603 -8.103 1.00 0.00 H new ATOM 978 N LEU A 87 -5.834 2.046 -4.738 1.00 0.00 N ATOM 979 CA LEU A 87 -5.849 0.730 -4.133 1.00 0.00 C ATOM 980 C LEU A 87 -7.041 0.538 -3.180 1.00 0.00 C ATOM 981 O LEU A 87 -7.172 -0.521 -2.565 1.00 0.00 O ATOM 982 CB LEU A 87 -4.518 0.522 -3.389 1.00 0.00 C ATOM 983 CG LEU A 87 -3.272 0.255 -4.225 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.867 1.375 -5.145 1.00 0.00 C ATOM 985 CD2 LEU A 87 -2.087 -0.128 -3.348 1.00 0.00 C ATOM 0 H LEU A 87 -5.852 2.785 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.964 -0.015 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.331 1.408 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.646 -0.314 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.559 -0.579 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.971 1.088 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.675 1.579 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.662 2.271 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.215 -0.312 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.870 0.684 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.327 -1.031 -2.786 1.00 0.00 H new ATOM 997 N ASN A 88 -7.925 1.527 -3.008 1.00 0.00 N ATOM 998 CA ASN A 88 -9.086 1.384 -2.121 1.00 0.00 C ATOM 999 C ASN A 88 -10.121 0.390 -2.686 1.00 0.00 C ATOM 1000 O ASN A 88 -10.968 0.736 -3.509 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.664 2.757 -1.762 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.849 2.638 -0.813 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -12.006 2.712 -1.203 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -10.603 2.411 0.452 1.00 0.00 N ATOM 0 H ASN A 88 -7.859 2.434 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.758 0.939 -1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.889 3.369 -1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.976 3.270 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.375 2.296 1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.640 2.349 0.781 1.00 0.00 H new ATOM 1011 N ASN A 89 -10.024 -0.851 -2.208 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.897 -1.986 -2.489 1.00 0.00 C ATOM 1013 C ASN A 89 -10.734 -2.454 -3.956 1.00 0.00 C ATOM 1014 O ASN A 89 -11.673 -2.467 -4.756 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.296 -1.718 -1.918 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.163 -2.964 -1.908 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -14.075 -3.143 -2.697 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.903 -3.862 -0.977 1.00 0.00 N ATOM 0 H ASN A 89 -9.274 -1.106 -1.565 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.607 -2.892 -1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.204 -1.334 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.785 -0.943 -2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.466 -4.710 -0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.139 -3.708 -0.319 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.484 -2.810 -4.277 1.00 0.00 N ATOM 1026 CA ILE A 90 -9.001 -3.266 -5.596 1.00 0.00 C ATOM 1027 C ILE A 90 -8.607 -4.724 -5.538 1.00 0.00 C ATOM 1028 O ILE A 90 -8.103 -5.207 -4.525 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.807 -2.420 -6.106 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.499 -2.614 -5.312 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.261 -0.959 -6.213 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.274 -2.360 -6.184 1.00 0.00 C ATOM 0 H ILE A 90 -8.735 -2.788 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.823 -3.138 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.527 -2.779 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.486 -1.936 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.460 -3.628 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.434 -0.346 -6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.094 -0.887 -6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.578 -0.604 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.370 -2.506 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.274 -3.055 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.301 -1.337 -6.560 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.794 -5.421 -6.651 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.300 -6.774 -6.805 1.00 0.00 C ATOM 1046 C GLU A 91 -6.810 -6.793 -7.173 1.00 0.00 C ATOM 1047 O GLU A 91 -6.329 -6.147 -8.111 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.230 -7.517 -7.745 1.00 0.00 C ATOM 1049 CG GLU A 91 -8.783 -8.920 -8.154 1.00 0.00 C ATOM 1050 CD GLU A 91 -8.169 -8.979 -9.567 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -8.918 -8.904 -10.569 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -6.928 -9.127 -9.665 1.00 0.00 O ATOM 0 H GLU A 91 -9.291 -5.062 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.321 -7.316 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.209 -7.592 -7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.357 -6.919 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.052 -9.285 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.639 -9.594 -8.109 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.098 -7.539 -6.342 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.653 -7.700 -6.246 1.00 0.00 C ATOM 1061 C PHE A 92 -4.201 -9.022 -6.880 1.00 0.00 C ATOM 1062 O PHE A 92 -4.012 -10.017 -6.174 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.292 -7.619 -4.756 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.863 -7.897 -4.284 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -1.783 -8.113 -5.171 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.613 -7.910 -2.894 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.480 -8.290 -4.684 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.305 -8.073 -2.408 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.237 -8.224 -3.301 1.00 0.00 C ATOM 0 H PHE A 92 -6.570 -8.110 -5.641 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.134 -6.916 -6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.553 -6.617 -4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.945 -8.314 -4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.964 -8.142 -6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.433 -7.794 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.334 -8.476 -5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.123 -8.082 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.774 -8.290 -2.927 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.033 -9.033 -8.208 1.00 0.00 N ATOM 1080 CA ARG A 93 -3.645 -10.203 -9.021 1.00 0.00 C ATOM 1081 C ARG A 93 -4.411 -11.512 -8.697 1.00 0.00 C ATOM 1082 O ARG A 93 -3.905 -12.609 -8.949 1.00 0.00 O ATOM 1083 CB ARG A 93 -2.114 -10.404 -8.972 1.00 0.00 C ATOM 1084 CG ARG A 93 -1.284 -9.247 -9.551 1.00 0.00 C ATOM 1085 CD ARG A 93 0.195 -9.642 -9.457 1.00 0.00 C ATOM 1086 NE ARG A 93 1.103 -8.656 -10.073 1.00 0.00 N ATOM 1087 CZ ARG A 93 2.414 -8.628 -9.899 1.00 0.00 C ATOM 1088 NH1 ARG A 93 3.034 -9.467 -9.117 1.00 0.00 N ATOM 1089 NH2 ARG A 93 3.182 -7.760 -10.483 1.00 0.00 N ATOM 0 H ARG A 93 -4.168 -8.195 -8.773 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.947 -9.968 -10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.817 -10.560 -7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.866 -11.316 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.564 -9.056 -10.587 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.470 -8.327 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.464 -9.768 -8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.337 -10.608 -9.941 1.00 0.00 H new ATOM 0 HE ARG A 93 0.690 -7.945 -10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.506 -10.179 -8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.047 -9.412 -9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.779 -7.061 -11.107 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.188 -7.777 -10.318 1.00 0.00 H new ATOM 1103 N GLY A 94 -5.601 -11.413 -8.097 1.00 0.00 N ATOM 1104 CA GLY A 94 -6.393 -12.538 -7.588 1.00 0.00 C ATOM 1105 C GLY A 94 -6.832 -12.440 -6.109 1.00 0.00 C ATOM 1106 O GLY A 94 -7.763 -13.158 -5.740 1.00 0.00 O ATOM 0 H GLY A 94 -6.057 -10.513 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.285 -12.638 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.813 -13.452 -7.715 1.00 0.00 H new ATOM 1110 N SER A 95 -6.238 -11.571 -5.273 1.00 0.00 N ATOM 1111 CA SER A 95 -6.732 -11.252 -3.934 1.00 0.00 C ATOM 1112 C SER A 95 -7.465 -9.909 -4.045 1.00 0.00 C ATOM 1113 O SER A 95 -7.742 -9.446 -5.147 1.00 0.00 O ATOM 1114 CB SER A 95 -5.546 -11.211 -2.954 1.00 0.00 C ATOM 1115 OG SER A 95 -5.020 -12.519 -2.804 1.00 0.00 O ATOM 0 H SER A 95 -5.387 -11.065 -5.519 1.00 0.00 H new ATOM 0 HA SER A 95 -7.423 -12.002 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.775 -10.536 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.870 -10.823 -1.988 1.00 0.00 H new ATOM 0 HG SER A 95 -4.263 -12.498 -2.182 1.00 0.00 H new ATOM 1121 N VAL A 96 -7.797 -9.233 -2.957 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.252 -7.824 -3.001 1.00 0.00 C ATOM 1123 C VAL A 96 -7.797 -7.150 -1.711 1.00 0.00 C ATOM 1124 O VAL A 96 -7.762 -7.788 -0.656 1.00 0.00 O ATOM 1125 CB VAL A 96 -9.764 -7.581 -3.324 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.632 -8.825 -3.305 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.470 -6.444 -2.561 1.00 0.00 C ATOM 0 H VAL A 96 -7.764 -9.629 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.783 -7.364 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.671 -7.239 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.661 -8.554 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.265 -9.536 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.594 -9.280 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.511 -6.384 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.429 -6.644 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.971 -5.499 -2.773 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.482 -5.862 -1.787 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.099 -5.009 -0.663 1.00 0.00 C ATOM 1139 C ILE A 97 -7.918 -3.722 -0.667 1.00 0.00 C ATOM 1140 O ILE A 97 -8.223 -3.162 -1.709 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.598 -4.657 -0.681 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.123 -4.228 -2.091 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.772 -5.820 -0.120 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.714 -3.638 -2.113 1.00 0.00 C ATOM 0 H ILE A 97 -7.486 -5.359 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.302 -5.576 0.246 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.443 -3.794 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.155 -5.093 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.821 -3.493 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.714 -5.557 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.078 -6.021 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.936 -6.709 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.451 -3.361 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.680 -2.753 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.004 -4.378 -1.744 1.00 0.00 H new ATOM 1156 N THR A 98 -8.204 -3.236 0.528 1.00 0.00 N ATOM 1157 CA THR A 98 -8.787 -1.938 0.862 1.00 0.00 C ATOM 1158 C THR A 98 -7.731 -1.174 1.637 1.00 0.00 C ATOM 1159 O THR A 98 -6.991 -1.767 2.430 1.00 0.00 O ATOM 1160 CB THR A 98 -10.022 -2.109 1.746 1.00 0.00 C ATOM 1161 OG1 THR A 98 -10.960 -2.976 1.133 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.754 -0.799 2.044 1.00 0.00 C ATOM 0 H THR A 98 -8.020 -3.785 1.368 1.00 0.00 H new ATOM 0 HA THR A 98 -9.090 -1.415 -0.045 1.00 0.00 H new ATOM 0 HB THR A 98 -9.641 -2.517 2.682 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.743 -3.074 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.619 -1.001 2.676 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.080 -0.115 2.559 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.086 -0.347 1.109 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.628 0.130 1.393 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.514 0.932 1.906 1.00 0.00 C ATOM 1172 C VAL A 99 -6.965 2.262 2.472 1.00 0.00 C ATOM 1173 O VAL A 99 -7.973 2.830 2.035 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.399 1.126 0.876 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.042 -0.181 0.171 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -5.809 2.119 -0.186 1.00 0.00 C ATOM 0 H VAL A 99 -8.304 0.658 0.841 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.097 0.352 2.729 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.535 1.493 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.247 0.001 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.704 -0.911 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.920 -0.567 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.999 2.238 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.699 1.756 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.026 3.081 0.279 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.184 2.753 3.421 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.530 3.944 4.208 1.00 0.00 C ATOM 1188 C GLU A 100 -5.365 4.481 5.033 1.00 0.00 C ATOM 1189 O GLU A 100 -4.471 3.747 5.460 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.671 3.572 5.184 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.358 2.391 6.121 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.396 1.263 6.013 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -8.387 0.507 5.014 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -9.189 1.060 6.966 1.00 0.00 O ATOM 0 H GLU A 100 -5.286 2.340 3.674 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.821 4.721 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.911 4.445 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.562 3.332 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.370 1.995 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.320 2.748 7.150 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.430 5.784 5.310 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.589 6.495 6.279 1.00 0.00 C ATOM 1203 C ARG A 101 -4.640 5.828 7.664 1.00 0.00 C ATOM 1204 O ARG A 101 -5.709 5.444 8.144 1.00 0.00 O ATOM 1205 CB ARG A 101 -5.029 7.967 6.292 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.479 8.170 6.760 1.00 0.00 C ATOM 1207 CD ARG A 101 -7.033 9.558 6.402 1.00 0.00 C ATOM 1208 NE ARG A 101 -7.094 10.427 7.585 1.00 0.00 N ATOM 1209 CZ ARG A 101 -7.926 11.421 7.832 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -8.858 11.777 6.985 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -7.828 12.081 8.941 1.00 0.00 N ATOM 0 H ARG A 101 -6.098 6.400 4.847 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.540 6.448 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.363 8.531 6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.918 8.380 5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.111 7.405 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.530 8.031 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.403 10.019 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -8.029 9.455 5.971 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.403 10.237 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.959 11.281 6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.483 12.551 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.109 11.832 9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.469 12.850 9.135 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.475 5.688 8.287 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.268 4.905 9.514 1.00 0.00 C ATOM 1227 C ASP A 102 -2.559 5.676 10.656 1.00 0.00 C ATOM 1228 O ASP A 102 -2.696 5.299 11.819 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.505 3.622 9.153 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.446 2.649 10.342 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -3.495 2.056 10.704 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -1.336 2.471 10.899 1.00 0.00 O ATOM 0 H ASP A 102 -2.619 6.127 7.947 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.253 4.669 9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.989 3.135 8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.493 3.876 8.838 1.00 0.00 H new