USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 810 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.515 (180deg=0.237) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 35:sc= 0.385 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.331 USER MOD Single : A 15 ASN : amide:sc= -0.0016 X(o=-0.0016,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.4!) USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.563 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -50:sc= 0.231 USER MOD Single : A 34 ASN : amide:sc= -1.61 K(o=-1.6,f=-5.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00332 USER MOD Single : A 38 LYS NZ :NH3+ -107:sc=-0.00941 (180deg=-2.32!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.073 F(o=-0.84,f=-0.073) USER MOD Single : A 44 TYR OH : rot 166:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= -0.138 (180deg=-0.811) USER MOD Single : A 50 GLN : amide:sc= -0.0514 K(o=-0.051,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -118:sc= -0.372 USER MOD Single : A 60 SER OG : rot 94:sc= 0.173 USER MOD Single : A 62 MET CE :methyl 149:sc= -0.225 (180deg=-1.09) USER MOD Single : A 63 ASN : amide:sc= -1.79! C(o=-1.8!,f=-5.7!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -112:sc= 0.203 (180deg=-0.221) USER MOD Single : A 72 ASN : amide:sc= 0.0863 X(o=0.086,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -6.37! C(o=-6.4!,f=-8.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc=-0.00014 (180deg=-0.0779) USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= -0.133 (180deg=-0.676) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 90 SER OG : rot 180:sc=-0.00333 USER MOD Single : A 92 SER OG : rot -2:sc= 0.548 USER MOD Single : A 93 ASN : amide:sc= -0.829 K(o=-0.83,f=-3.6!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.819 -3.411 -0.046 1.00 33.13 N ATOM 2 CA MET A 1 27.324 -2.172 -0.627 1.00 64.33 C ATOM 3 C MET A 1 26.295 -1.054 -0.505 1.00 0.34 C ATOM 4 O MET A 1 25.130 -1.228 -0.859 1.00 33.42 O ATOM 5 CB MET A 1 27.691 -2.386 -2.098 1.00 13.54 C ATOM 6 CG MET A 1 29.048 -3.040 -2.297 1.00 10.30 C ATOM 7 SD MET A 1 28.988 -4.833 -2.118 1.00 35.32 S ATOM 8 CE MET A 1 28.684 -5.332 -3.810 1.00 73.24 C ATOM 0 H1 MET A 1 27.311 -4.221 -0.474 1.00 33.13 H new ATOM 0 H2 MET A 1 26.987 -3.407 0.980 1.00 33.13 H new ATOM 0 H3 MET A 1 25.798 -3.490 -0.229 1.00 33.13 H new ATOM 0 HA MET A 1 28.218 -1.880 -0.075 1.00 64.33 H new ATOM 0 HB2 MET A 1 26.926 -3.004 -2.568 1.00 13.54 H new ATOM 0 HB3 MET A 1 27.682 -1.424 -2.610 1.00 13.54 H new ATOM 0 HG2 MET A 1 29.425 -2.790 -3.289 1.00 10.30 H new ATOM 0 HG3 MET A 1 29.754 -2.630 -1.575 1.00 10.30 H new ATOM 0 HE1 MET A 1 28.621 -6.419 -3.863 1.00 73.24 H new ATOM 0 HE2 MET A 1 27.746 -4.897 -4.155 1.00 73.24 H new ATOM 0 HE3 MET A 1 29.500 -4.985 -4.444 1.00 73.24 H new ATOM 18 N GLY A 2 26.732 0.096 0.000 1.00 22.30 N ATOM 19 CA GLY A 2 25.835 1.225 0.160 1.00 20.30 C ATOM 20 C GLY A 2 25.528 1.519 1.615 1.00 1.53 C ATOM 21 O GLY A 2 25.337 0.603 2.416 1.00 75.45 O ATOM 0 H GLY A 2 27.692 0.265 0.301 1.00 22.30 H new ATOM 0 HA2 GLY A 2 26.281 2.107 -0.300 1.00 20.30 H new ATOM 0 HA3 GLY A 2 24.905 1.024 -0.371 1.00 20.30 H new ATOM 25 N LYS A 3 25.481 2.801 1.961 1.00 5.41 N ATOM 26 CA LYS A 3 25.196 3.215 3.329 1.00 10.25 C ATOM 27 C LYS A 3 23.724 3.583 3.490 1.00 3.43 C ATOM 28 O LYS A 3 23.349 4.750 3.368 1.00 30.32 O ATOM 29 CB LYS A 3 26.076 4.406 3.718 1.00 20.41 C ATOM 30 CG LYS A 3 27.497 4.016 4.088 1.00 1.34 C ATOM 31 CD LYS A 3 27.551 3.322 5.439 1.00 42.53 C ATOM 32 CE LYS A 3 28.982 3.185 5.937 1.00 61.44 C ATOM 33 NZ LYS A 3 29.038 2.629 7.318 1.00 55.11 N ATOM 0 H LYS A 3 25.637 3.572 1.312 1.00 5.41 H new ATOM 0 HA LYS A 3 25.418 2.377 3.989 1.00 10.25 H new ATOM 0 HB2 LYS A 3 26.106 5.112 2.888 1.00 20.41 H new ATOM 0 HB3 LYS A 3 25.619 4.925 4.561 1.00 20.41 H new ATOM 0 HG2 LYS A 3 27.905 3.356 3.322 1.00 1.34 H new ATOM 0 HG3 LYS A 3 28.126 4.906 4.110 1.00 1.34 H new ATOM 0 HD2 LYS A 3 26.965 3.887 6.164 1.00 42.53 H new ATOM 0 HD3 LYS A 3 27.095 2.335 5.361 1.00 42.53 H new ATOM 0 HE2 LYS A 3 29.541 2.537 5.262 1.00 61.44 H new ATOM 0 HE3 LYS A 3 29.468 4.160 5.918 1.00 61.44 H new ATOM 0 HZ1 LYS A 3 30.030 2.551 7.621 1.00 55.11 H new ATOM 0 HZ2 LYS A 3 28.526 3.260 7.967 1.00 55.11 H new ATOM 0 HZ3 LYS A 3 28.597 1.687 7.331 1.00 55.11 H new ATOM 47 N LEU A 4 22.896 2.583 3.768 1.00 50.13 N ATOM 48 CA LEU A 4 21.465 2.802 3.947 1.00 33.14 C ATOM 49 C LEU A 4 21.153 3.211 5.384 1.00 35.10 C ATOM 50 O LEU A 4 22.023 3.176 6.253 1.00 11.32 O ATOM 51 CB LEU A 4 20.686 1.536 3.586 1.00 54.24 C ATOM 52 CG LEU A 4 20.606 1.201 2.095 1.00 21.25 C ATOM 53 CD1 LEU A 4 20.305 -0.277 1.897 1.00 53.15 C ATOM 54 CD2 LEU A 4 19.552 2.058 1.411 1.00 41.20 C ATOM 0 H LEU A 4 23.191 1.612 3.874 1.00 50.13 H new ATOM 0 HA LEU A 4 21.160 3.611 3.283 1.00 33.14 H new ATOM 0 HB2 LEU A 4 21.142 0.692 4.104 1.00 54.24 H new ATOM 0 HB3 LEU A 4 19.671 1.635 3.971 1.00 54.24 H new ATOM 0 HG LEU A 4 21.572 1.419 1.640 1.00 21.25 H new ATOM 0 HD11 LEU A 4 20.252 -0.498 0.831 1.00 53.15 H new ATOM 0 HD12 LEU A 4 21.096 -0.873 2.352 1.00 53.15 H new ATOM 0 HD13 LEU A 4 19.352 -0.520 2.366 1.00 53.15 H new ATOM 0 HD21 LEU A 4 19.509 1.806 0.351 1.00 41.20 H new ATOM 0 HD22 LEU A 4 18.580 1.872 1.868 1.00 41.20 H new ATOM 0 HD23 LEU A 4 19.810 3.111 1.523 1.00 41.20 H new ATOM 66 N LYS A 5 19.905 3.596 5.626 1.00 14.21 N ATOM 67 CA LYS A 5 19.475 4.008 6.956 1.00 43.50 C ATOM 68 C LYS A 5 18.214 3.259 7.377 1.00 25.03 C ATOM 69 O LYS A 5 17.681 2.447 6.621 1.00 45.41 O ATOM 70 CB LYS A 5 19.219 5.517 6.988 1.00 54.35 C ATOM 71 CG LYS A 5 20.440 6.334 7.371 1.00 60.25 C ATOM 72 CD LYS A 5 20.541 6.514 8.876 1.00 74.10 C ATOM 73 CE LYS A 5 21.856 7.166 9.273 1.00 62.24 C ATOM 74 NZ LYS A 5 22.242 6.830 10.671 1.00 22.42 N ATOM 0 H LYS A 5 19.173 3.631 4.917 1.00 14.21 H new ATOM 0 HA LYS A 5 20.272 3.766 7.659 1.00 43.50 H new ATOM 0 HB2 LYS A 5 18.871 5.839 6.007 1.00 54.35 H new ATOM 0 HB3 LYS A 5 18.416 5.726 7.695 1.00 54.35 H new ATOM 0 HG2 LYS A 5 21.339 5.841 7.002 1.00 60.25 H new ATOM 0 HG3 LYS A 5 20.391 7.311 6.889 1.00 60.25 H new ATOM 0 HD2 LYS A 5 19.710 7.126 9.227 1.00 74.10 H new ATOM 0 HD3 LYS A 5 20.452 5.544 9.366 1.00 74.10 H new ATOM 0 HE2 LYS A 5 22.642 6.842 8.591 1.00 62.24 H new ATOM 0 HE3 LYS A 5 21.771 8.248 9.170 1.00 62.24 H new ATOM 0 HZ1 LYS A 5 23.144 7.294 10.903 1.00 22.42 H new ATOM 0 HZ2 LYS A 5 21.504 7.162 11.324 1.00 22.42 H new ATOM 0 HZ3 LYS A 5 22.349 5.800 10.764 1.00 22.42 H new ATOM 88 N TRP A 6 17.743 3.538 8.588 1.00 61.12 N ATOM 89 CA TRP A 6 16.545 2.891 9.108 1.00 31.43 C ATOM 90 C TRP A 6 16.666 1.373 9.027 1.00 10.21 C ATOM 91 O TRP A 6 15.666 0.666 8.900 1.00 10.50 O ATOM 92 CB TRP A 6 15.311 3.359 8.335 1.00 71.21 C ATOM 93 CG TRP A 6 15.247 4.846 8.161 1.00 25.31 C ATOM 94 CD1 TRP A 6 14.769 5.756 9.059 1.00 12.43 C ATOM 95 CD2 TRP A 6 15.674 5.594 7.018 1.00 70.22 C ATOM 96 NE1 TRP A 6 14.874 7.026 8.543 1.00 0.22 N ATOM 97 CE2 TRP A 6 15.426 6.954 7.292 1.00 23.45 C ATOM 98 CE3 TRP A 6 16.243 5.248 5.789 1.00 45.12 C ATOM 99 CZ2 TRP A 6 15.728 7.963 6.383 1.00 52.33 C ATOM 100 CZ3 TRP A 6 16.542 6.252 4.887 1.00 1.12 C ATOM 101 CH2 TRP A 6 16.285 7.597 5.187 1.00 23.43 C ATOM 0 H TRP A 6 18.173 4.207 9.227 1.00 61.12 H new ATOM 0 HA TRP A 6 16.437 3.172 10.156 1.00 31.43 H new ATOM 0 HB2 TRP A 6 15.305 2.885 7.353 1.00 71.21 H new ATOM 0 HB3 TRP A 6 14.415 3.023 8.857 1.00 71.21 H new ATOM 0 HD1 TRP A 6 14.367 5.514 10.032 1.00 12.43 H new ATOM 0 HE1 TRP A 6 14.587 7.883 9.016 1.00 0.22 H new ATOM 0 HE3 TRP A 6 16.445 4.215 5.548 1.00 45.12 H new ATOM 0 HZ2 TRP A 6 15.530 8.999 6.613 1.00 52.33 H new ATOM 0 HZ3 TRP A 6 16.981 5.996 3.934 1.00 1.12 H new ATOM 0 HH2 TRP A 6 16.531 8.358 4.462 1.00 23.43 H new ATOM 112 N PHE A 7 17.897 0.878 9.100 1.00 31.43 N ATOM 113 CA PHE A 7 18.149 -0.557 9.034 1.00 74.15 C ATOM 114 C PHE A 7 18.078 -1.186 10.422 1.00 65.44 C ATOM 115 O PHE A 7 17.513 -2.266 10.598 1.00 4.02 O ATOM 116 CB PHE A 7 19.518 -0.828 8.408 1.00 13.20 C ATOM 117 CG PHE A 7 19.635 -2.191 7.789 1.00 64.24 C ATOM 118 CD1 PHE A 7 19.111 -2.443 6.531 1.00 44.12 C ATOM 119 CD2 PHE A 7 20.270 -3.221 8.464 1.00 22.41 C ATOM 120 CE1 PHE A 7 19.217 -3.697 5.960 1.00 72.42 C ATOM 121 CE2 PHE A 7 20.379 -4.478 7.898 1.00 2.43 C ATOM 122 CZ PHE A 7 19.853 -4.715 6.644 1.00 70.24 C ATOM 0 H PHE A 7 18.736 1.449 9.205 1.00 31.43 H new ATOM 0 HA PHE A 7 17.377 -1.008 8.410 1.00 74.15 H new ATOM 0 HB2 PHE A 7 19.716 -0.074 7.646 1.00 13.20 H new ATOM 0 HB3 PHE A 7 20.287 -0.718 9.173 1.00 13.20 H new ATOM 0 HD1 PHE A 7 18.614 -1.651 5.991 1.00 44.12 H new ATOM 0 HD2 PHE A 7 20.685 -3.040 9.444 1.00 22.41 H new ATOM 0 HE1 PHE A 7 18.803 -3.881 4.980 1.00 72.42 H new ATOM 0 HE2 PHE A 7 20.875 -5.273 8.436 1.00 2.43 H new ATOM 0 HZ PHE A 7 19.939 -5.695 6.198 1.00 70.24 H new ATOM 132 N SER A 8 18.657 -0.503 11.405 1.00 23.03 N ATOM 133 CA SER A 8 18.665 -0.996 12.777 1.00 20.24 C ATOM 134 C SER A 8 17.255 -1.002 13.360 1.00 0.52 C ATOM 135 O SER A 8 16.617 0.043 13.482 1.00 23.44 O ATOM 136 CB SER A 8 19.585 -0.136 13.646 1.00 61.33 C ATOM 137 OG SER A 8 19.192 1.225 13.612 1.00 71.05 O ATOM 0 H SER A 8 19.127 0.393 11.276 1.00 23.03 H new ATOM 0 HA SER A 8 19.040 -2.019 12.767 1.00 20.24 H new ATOM 0 HB2 SER A 8 19.563 -0.499 14.674 1.00 61.33 H new ATOM 0 HB3 SER A 8 20.613 -0.230 13.296 1.00 61.33 H new ATOM 0 HG SER A 8 18.215 1.282 13.556 1.00 71.05 H new ATOM 143 N GLY A 9 16.774 -2.189 13.720 1.00 41.44 N ATOM 144 CA GLY A 9 15.444 -2.310 14.286 1.00 12.43 C ATOM 145 C GLY A 9 14.453 -2.916 13.313 1.00 34.31 C ATOM 146 O GLY A 9 13.537 -2.241 12.846 1.00 52.22 O ATOM 0 H GLY A 9 17.283 -3.069 13.629 1.00 41.44 H new ATOM 0 HA2 GLY A 9 15.489 -2.926 15.184 1.00 12.43 H new ATOM 0 HA3 GLY A 9 15.092 -1.325 14.592 1.00 12.43 H new ATOM 150 N GLY A 10 14.637 -4.197 13.004 1.00 2.51 N ATOM 151 CA GLY A 10 13.745 -4.873 12.080 1.00 13.11 C ATOM 152 C GLY A 10 13.907 -4.384 10.655 1.00 41.44 C ATOM 153 O GLY A 10 13.215 -3.460 10.225 1.00 62.11 O ATOM 0 H GLY A 10 15.388 -4.778 13.377 1.00 2.51 H new ATOM 0 HA2 GLY A 10 13.934 -5.946 12.116 1.00 13.11 H new ATOM 0 HA3 GLY A 10 12.714 -4.720 12.398 1.00 13.11 H new ATOM 157 N LYS A 11 14.824 -5.002 9.919 1.00 41.23 N ATOM 158 CA LYS A 11 15.076 -4.625 8.534 1.00 52.34 C ATOM 159 C LYS A 11 14.030 -5.232 7.605 1.00 75.00 C ATOM 160 O LYS A 11 13.621 -4.611 6.625 1.00 44.01 O ATOM 161 CB LYS A 11 16.475 -5.075 8.107 1.00 51.14 C ATOM 162 CG LYS A 11 16.641 -6.584 8.065 1.00 22.54 C ATOM 163 CD LYS A 11 18.106 -6.986 8.129 1.00 30.03 C ATOM 164 CE LYS A 11 18.271 -8.413 8.630 1.00 31.32 C ATOM 165 NZ LYS A 11 18.370 -8.471 10.115 1.00 41.10 N ATOM 0 H LYS A 11 15.406 -5.767 10.260 1.00 41.23 H new ATOM 0 HA LYS A 11 15.013 -3.539 8.463 1.00 52.34 H new ATOM 0 HB2 LYS A 11 16.694 -4.666 7.121 1.00 51.14 H new ATOM 0 HB3 LYS A 11 17.209 -4.656 8.796 1.00 51.14 H new ATOM 0 HG2 LYS A 11 16.103 -7.034 8.899 1.00 22.54 H new ATOM 0 HG3 LYS A 11 16.195 -6.975 7.150 1.00 22.54 H new ATOM 0 HD2 LYS A 11 18.554 -6.893 7.140 1.00 30.03 H new ATOM 0 HD3 LYS A 11 18.643 -6.304 8.788 1.00 30.03 H new ATOM 0 HE2 LYS A 11 17.425 -9.015 8.299 1.00 31.32 H new ATOM 0 HE3 LYS A 11 19.166 -8.852 8.189 1.00 31.32 H new ATOM 0 HZ1 LYS A 11 18.482 -9.460 10.417 1.00 41.10 H new ATOM 0 HZ2 LYS A 11 19.192 -7.918 10.430 1.00 41.10 H new ATOM 0 HZ3 LYS A 11 17.505 -8.076 10.536 1.00 41.10 H new ATOM 179 N GLU A 12 13.599 -6.449 7.923 1.00 75.24 N ATOM 180 CA GLU A 12 12.599 -7.139 7.116 1.00 74.31 C ATOM 181 C GLU A 12 11.211 -6.549 7.348 1.00 54.24 C ATOM 182 O GLU A 12 10.245 -6.928 6.685 1.00 44.24 O ATOM 183 CB GLU A 12 12.591 -8.634 7.442 1.00 20.21 C ATOM 184 CG GLU A 12 13.717 -9.408 6.779 1.00 21.13 C ATOM 185 CD GLU A 12 14.107 -10.651 7.557 1.00 54.44 C ATOM 186 OE1 GLU A 12 14.537 -10.512 8.721 1.00 14.33 O ATOM 187 OE2 GLU A 12 13.983 -11.762 7.001 1.00 52.51 O ATOM 0 H GLU A 12 13.926 -6.977 8.732 1.00 75.24 H new ATOM 0 HA GLU A 12 12.861 -7.005 6.066 1.00 74.31 H new ATOM 0 HB2 GLU A 12 12.661 -8.762 8.522 1.00 20.21 H new ATOM 0 HB3 GLU A 12 11.637 -9.060 7.131 1.00 20.21 H new ATOM 0 HG2 GLU A 12 13.413 -9.694 5.772 1.00 21.13 H new ATOM 0 HG3 GLU A 12 14.587 -8.760 6.677 1.00 21.13 H new ATOM 194 N ARG A 13 11.120 -5.619 8.292 1.00 2.43 N ATOM 195 CA ARG A 13 9.851 -4.977 8.614 1.00 44.34 C ATOM 196 C ARG A 13 9.405 -4.058 7.481 1.00 63.11 C ATOM 197 O ARG A 13 8.210 -3.840 7.279 1.00 64.10 O ATOM 198 CB ARG A 13 9.973 -4.180 9.914 1.00 70.01 C ATOM 199 CG ARG A 13 10.105 -5.051 11.153 1.00 64.33 C ATOM 200 CD ARG A 13 8.750 -5.330 11.784 1.00 64.24 C ATOM 201 NE ARG A 13 8.144 -6.553 11.261 1.00 44.41 N ATOM 202 CZ ARG A 13 7.008 -7.064 11.721 1.00 23.22 C ATOM 203 NH1 ARG A 13 6.357 -6.463 12.708 1.00 65.02 N ATOM 204 NH2 ARG A 13 6.520 -8.180 11.194 1.00 34.23 N ATOM 0 H ARG A 13 11.910 -5.293 8.848 1.00 2.43 H new ATOM 0 HA ARG A 13 9.100 -5.757 8.744 1.00 44.34 H new ATOM 0 HB2 ARG A 13 10.841 -3.524 9.848 1.00 70.01 H new ATOM 0 HB3 ARG A 13 9.097 -3.540 10.022 1.00 70.01 H new ATOM 0 HG2 ARG A 13 10.585 -5.993 10.888 1.00 64.33 H new ATOM 0 HG3 ARG A 13 10.751 -4.557 11.879 1.00 64.33 H new ATOM 0 HD2 ARG A 13 8.864 -5.415 12.865 1.00 64.24 H new ATOM 0 HD3 ARG A 13 8.084 -4.487 11.599 1.00 64.24 H new ATOM 0 HE ARG A 13 8.620 -7.040 10.502 1.00 44.41 H new ATOM 0 HH11 ARG A 13 6.729 -5.605 13.116 1.00 65.02 H new ATOM 0 HH12 ARG A 13 5.485 -6.858 13.059 1.00 65.02 H new ATOM 0 HH21 ARG A 13 7.018 -8.646 10.435 1.00 34.23 H new ATOM 0 HH22 ARG A 13 5.647 -8.572 11.548 1.00 34.23 H new ATOM 218 N SER A 14 10.373 -3.521 6.746 1.00 53.13 N ATOM 219 CA SER A 14 10.080 -2.621 5.636 1.00 64.34 C ATOM 220 C SER A 14 9.518 -3.392 4.445 1.00 21.52 C ATOM 221 O SER A 14 8.729 -2.862 3.665 1.00 41.13 O ATOM 222 CB SER A 14 11.343 -1.865 5.217 1.00 73.41 C ATOM 223 OG SER A 14 12.479 -2.713 5.248 1.00 60.00 O ATOM 0 H SER A 14 11.367 -3.693 6.899 1.00 53.13 H new ATOM 0 HA SER A 14 9.330 -1.905 5.971 1.00 64.34 H new ATOM 0 HB2 SER A 14 11.213 -1.462 4.212 1.00 73.41 H new ATOM 0 HB3 SER A 14 11.500 -1.016 5.883 1.00 73.41 H new ATOM 0 HG SER A 14 13.273 -2.207 4.975 1.00 60.00 H new ATOM 229 N ASN A 15 9.931 -4.649 4.313 1.00 21.24 N ATOM 230 CA ASN A 15 9.469 -5.495 3.218 1.00 11.23 C ATOM 231 C ASN A 15 8.039 -5.967 3.462 1.00 51.52 C ATOM 232 O ASN A 15 7.336 -6.354 2.528 1.00 73.02 O ATOM 233 CB ASN A 15 10.395 -6.701 3.053 1.00 70.31 C ATOM 234 CG ASN A 15 11.163 -6.666 1.746 1.00 33.40 C ATOM 235 OD1 ASN A 15 11.099 -7.604 0.950 1.00 5.23 O ATOM 236 ND2 ASN A 15 11.895 -5.581 1.519 1.00 34.13 N ATOM 0 H ASN A 15 10.584 -5.104 4.951 1.00 21.24 H new ATOM 0 HA ASN A 15 9.486 -4.904 2.302 1.00 11.23 H new ATOM 0 HB2 ASN A 15 11.099 -6.731 3.884 1.00 70.31 H new ATOM 0 HB3 ASN A 15 9.806 -7.617 3.101 1.00 70.31 H new ATOM 0 HD21 ASN A 15 12.434 -5.501 0.657 1.00 34.13 H new ATOM 0 HD22 ASN A 15 11.918 -4.828 2.207 1.00 34.13 H new ATOM 243 N GLN A 16 7.615 -5.931 4.721 1.00 41.12 N ATOM 244 CA GLN A 16 6.269 -6.355 5.086 1.00 12.50 C ATOM 245 C GLN A 16 5.219 -5.526 4.352 1.00 65.14 C ATOM 246 O GLN A 16 4.320 -6.072 3.712 1.00 4.21 O ATOM 247 CB GLN A 16 6.066 -6.235 6.597 1.00 13.44 C ATOM 248 CG GLN A 16 4.699 -6.705 7.066 1.00 34.34 C ATOM 249 CD GLN A 16 4.753 -8.047 7.769 1.00 30.00 C ATOM 250 OE1 GLN A 16 5.273 -9.024 7.228 1.00 22.43 O ATOM 251 NE2 GLN A 16 4.217 -8.103 8.982 1.00 3.24 N ATOM 0 H GLN A 16 8.184 -5.613 5.505 1.00 41.12 H new ATOM 0 HA GLN A 16 6.152 -7.398 4.793 1.00 12.50 H new ATOM 0 HB2 GLN A 16 6.835 -6.816 7.106 1.00 13.44 H new ATOM 0 HB3 GLN A 16 6.205 -5.195 6.892 1.00 13.44 H new ATOM 0 HG2 GLN A 16 4.276 -5.962 7.742 1.00 34.34 H new ATOM 0 HG3 GLN A 16 4.029 -6.775 6.209 1.00 34.34 H new ATOM 0 HE21 GLN A 16 3.796 -7.269 9.393 1.00 3.24 H new ATOM 0 HE22 GLN A 16 4.226 -8.980 9.503 1.00 3.24 H new ATOM 260 N ALA A 17 5.340 -4.206 4.450 1.00 32.11 N ATOM 261 CA ALA A 17 4.403 -3.303 3.793 1.00 23.52 C ATOM 262 C ALA A 17 4.244 -3.653 2.318 1.00 42.02 C ATOM 263 O ALA A 17 3.127 -3.781 1.818 1.00 12.44 O ATOM 264 CB ALA A 17 4.863 -1.861 3.950 1.00 64.15 C ATOM 0 H ALA A 17 6.077 -3.739 4.978 1.00 32.11 H new ATOM 0 HA ALA A 17 3.430 -3.417 4.272 1.00 23.52 H new ATOM 0 HB1 ALA A 17 4.154 -1.197 3.455 1.00 64.15 H new ATOM 0 HB2 ALA A 17 4.917 -1.609 5.009 1.00 64.15 H new ATOM 0 HB3 ALA A 17 5.848 -1.742 3.499 1.00 64.15 H new ATOM 270 N GLU A 18 5.369 -3.807 1.627 1.00 72.00 N ATOM 271 CA GLU A 18 5.352 -4.141 0.207 1.00 25.55 C ATOM 272 C GLU A 18 4.528 -5.400 -0.046 1.00 62.13 C ATOM 273 O GLU A 18 3.764 -5.471 -1.007 1.00 34.05 O ATOM 274 CB GLU A 18 6.779 -4.340 -0.309 1.00 43.33 C ATOM 275 CG GLU A 18 6.850 -4.657 -1.794 1.00 24.24 C ATOM 276 CD GLU A 18 7.957 -5.638 -2.128 1.00 64.33 C ATOM 277 OE1 GLU A 18 9.142 -5.254 -2.022 1.00 32.05 O ATOM 278 OE2 GLU A 18 7.640 -6.788 -2.496 1.00 23.15 O ATOM 0 H GLU A 18 6.302 -3.706 2.026 1.00 72.00 H new ATOM 0 HA GLU A 18 4.891 -3.312 -0.330 1.00 25.55 H new ATOM 0 HB2 GLU A 18 7.357 -3.438 -0.110 1.00 43.33 H new ATOM 0 HB3 GLU A 18 7.249 -5.149 0.250 1.00 43.33 H new ATOM 0 HG2 GLU A 18 5.895 -5.068 -2.120 1.00 24.24 H new ATOM 0 HG3 GLU A 18 7.007 -3.734 -2.352 1.00 24.24 H new ATOM 285 N ASN A 19 4.691 -6.392 0.823 1.00 10.14 N ATOM 286 CA ASN A 19 3.964 -7.649 0.695 1.00 51.42 C ATOM 287 C ASN A 19 2.465 -7.432 0.883 1.00 24.21 C ATOM 288 O ASN A 19 1.650 -7.990 0.149 1.00 61.11 O ATOM 289 CB ASN A 19 4.476 -8.666 1.716 1.00 61.03 C ATOM 290 CG ASN A 19 5.749 -9.353 1.260 1.00 22.23 C ATOM 291 OD1 ASN A 19 5.959 -9.567 0.066 1.00 12.12 O ATOM 292 ND2 ASN A 19 6.606 -9.702 2.213 1.00 45.14 N ATOM 0 H ASN A 19 5.321 -6.349 1.624 1.00 10.14 H new ATOM 0 HA ASN A 19 4.134 -8.037 -0.309 1.00 51.42 H new ATOM 0 HB2 ASN A 19 4.658 -8.163 2.666 1.00 61.03 H new ATOM 0 HB3 ASN A 19 3.706 -9.416 1.895 1.00 61.03 H new ATOM 0 HD21 ASN A 19 7.480 -10.167 1.968 1.00 45.14 H new ATOM 0 HD22 ASN A 19 6.390 -9.505 3.190 1.00 45.14 H new ATOM 299 N ILE A 20 2.111 -6.618 1.872 1.00 41.04 N ATOM 300 CA ILE A 20 0.711 -6.327 2.155 1.00 3.34 C ATOM 301 C ILE A 20 0.025 -5.696 0.948 1.00 73.42 C ATOM 302 O ILE A 20 -0.999 -6.191 0.477 1.00 74.22 O ATOM 303 CB ILE A 20 0.567 -5.383 3.364 1.00 2.51 C ATOM 304 CG1 ILE A 20 1.195 -6.012 4.609 1.00 34.23 C ATOM 305 CG2 ILE A 20 -0.899 -5.057 3.609 1.00 4.33 C ATOM 306 CD1 ILE A 20 1.432 -5.025 5.731 1.00 74.43 C ATOM 0 H ILE A 20 2.773 -6.149 2.490 1.00 41.04 H new ATOM 0 HA ILE A 20 0.231 -7.278 2.386 1.00 3.34 H new ATOM 0 HB ILE A 20 1.094 -4.454 3.146 1.00 2.51 H new ATOM 0 HG12 ILE A 20 0.546 -6.810 4.969 1.00 34.23 H new ATOM 0 HG13 ILE A 20 2.144 -6.472 4.334 1.00 34.23 H new ATOM 0 HG21 ILE A 20 -0.985 -4.389 4.466 1.00 4.33 H new ATOM 0 HG22 ILE A 20 -1.316 -4.571 2.727 1.00 4.33 H new ATOM 0 HG23 ILE A 20 -1.448 -5.977 3.810 1.00 4.33 H new ATOM 0 HD11 ILE A 20 1.879 -5.541 6.581 1.00 74.43 H new ATOM 0 HD12 ILE A 20 2.105 -4.239 5.388 1.00 74.43 H new ATOM 0 HD13 ILE A 20 0.483 -4.583 6.033 1.00 74.43 H new ATOM 318 N ILE A 21 0.597 -4.605 0.452 1.00 63.35 N ATOM 319 CA ILE A 21 0.042 -3.910 -0.703 1.00 73.11 C ATOM 320 C ILE A 21 -0.234 -4.880 -1.847 1.00 44.25 C ATOM 321 O ILE A 21 -1.292 -4.831 -2.476 1.00 31.10 O ATOM 322 CB ILE A 21 0.988 -2.802 -1.201 1.00 51.11 C ATOM 323 CG1 ILE A 21 1.237 -1.777 -0.092 1.00 31.41 C ATOM 324 CG2 ILE A 21 0.408 -2.125 -2.434 1.00 34.11 C ATOM 325 CD1 ILE A 21 2.241 -0.710 -0.469 1.00 73.12 C ATOM 0 H ILE A 21 1.444 -4.183 0.831 1.00 63.35 H new ATOM 0 HA ILE A 21 -0.895 -3.457 -0.379 1.00 73.11 H new ATOM 0 HB ILE A 21 1.942 -3.254 -1.473 1.00 51.11 H new ATOM 0 HG12 ILE A 21 0.292 -1.300 0.169 1.00 31.41 H new ATOM 0 HG13 ILE A 21 1.589 -2.296 0.799 1.00 31.41 H new ATOM 0 HG21 ILE A 21 1.088 -1.344 -2.774 1.00 34.11 H new ATOM 0 HG22 ILE A 21 0.277 -2.862 -3.226 1.00 34.11 H new ATOM 0 HG23 ILE A 21 -0.557 -1.683 -2.186 1.00 34.11 H new ATOM 0 HD11 ILE A 21 2.367 -0.019 0.364 1.00 73.12 H new ATOM 0 HD12 ILE A 21 3.198 -1.177 -0.702 1.00 73.12 H new ATOM 0 HD13 ILE A 21 1.882 -0.165 -1.342 1.00 73.12 H new ATOM 337 N THR A 22 0.724 -5.762 -2.113 1.00 3.12 N ATOM 338 CA THR A 22 0.585 -6.743 -3.181 1.00 65.53 C ATOM 339 C THR A 22 -0.594 -7.675 -2.922 1.00 63.31 C ATOM 340 O THR A 22 -1.235 -8.156 -3.857 1.00 5.53 O ATOM 341 CB THR A 22 1.866 -7.585 -3.341 1.00 34.54 C ATOM 342 OG1 THR A 22 2.989 -6.729 -3.575 1.00 21.41 O ATOM 343 CG2 THR A 22 1.724 -8.571 -4.491 1.00 32.21 C ATOM 0 H THR A 22 1.605 -5.817 -1.603 1.00 3.12 H new ATOM 0 HA THR A 22 0.408 -6.186 -4.101 1.00 65.53 H new ATOM 0 HB THR A 22 2.024 -8.146 -2.420 1.00 34.54 H new ATOM 0 HG1 THR A 22 3.257 -6.303 -2.734 1.00 21.41 H new ATOM 0 HG21 THR A 22 2.640 -9.154 -4.585 1.00 32.21 H new ATOM 0 HG22 THR A 22 0.886 -9.240 -4.295 1.00 32.21 H new ATOM 0 HG23 THR A 22 1.544 -8.026 -5.418 1.00 32.21 H new ATOM 351 N ASP A 23 -0.874 -7.925 -1.648 1.00 34.24 N ATOM 352 CA ASP A 23 -1.977 -8.798 -1.265 1.00 33.13 C ATOM 353 C ASP A 23 -3.289 -8.316 -1.879 1.00 33.51 C ATOM 354 O ASP A 23 -3.881 -8.997 -2.717 1.00 53.03 O ATOM 355 CB ASP A 23 -2.104 -8.858 0.258 1.00 53.21 C ATOM 356 CG ASP A 23 -2.778 -10.130 0.733 1.00 64.23 C ATOM 357 OD1 ASP A 23 -2.208 -11.219 0.514 1.00 32.52 O ATOM 358 OD2 ASP A 23 -3.875 -10.037 1.322 1.00 0.24 O ATOM 0 H ASP A 23 -0.352 -7.535 -0.863 1.00 34.24 H new ATOM 0 HA ASP A 23 -1.765 -9.798 -1.643 1.00 33.13 H new ATOM 0 HB2 ASP A 23 -1.113 -8.787 0.705 1.00 53.21 H new ATOM 0 HB3 ASP A 23 -2.674 -7.996 0.606 1.00 53.21 H new ATOM 363 N LEU A 24 -3.739 -7.141 -1.455 1.00 4.21 N ATOM 364 CA LEU A 24 -4.981 -6.568 -1.962 1.00 25.44 C ATOM 365 C LEU A 24 -5.019 -6.612 -3.485 1.00 44.24 C ATOM 366 O LEU A 24 -6.065 -6.866 -4.084 1.00 63.31 O ATOM 367 CB LEU A 24 -5.135 -5.126 -1.477 1.00 0.35 C ATOM 368 CG LEU A 24 -5.559 -4.949 -0.018 1.00 65.04 C ATOM 369 CD1 LEU A 24 -5.712 -3.474 0.318 1.00 42.43 C ATOM 370 CD2 LEU A 24 -6.854 -5.697 0.256 1.00 21.01 C ATOM 0 H LEU A 24 -3.262 -6.566 -0.761 1.00 4.21 H new ATOM 0 HA LEU A 24 -5.810 -7.164 -1.580 1.00 25.44 H new ATOM 0 HB2 LEU A 24 -4.185 -4.611 -1.623 1.00 0.35 H new ATOM 0 HB3 LEU A 24 -5.869 -4.627 -2.110 1.00 0.35 H new ATOM 0 HG LEU A 24 -4.780 -5.367 0.620 1.00 65.04 H new ATOM 0 HD11 LEU A 24 -6.014 -3.368 1.360 1.00 42.43 H new ATOM 0 HD12 LEU A 24 -4.761 -2.965 0.162 1.00 42.43 H new ATOM 0 HD13 LEU A 24 -6.471 -3.031 -0.327 1.00 42.43 H new ATOM 0 HD21 LEU A 24 -7.140 -5.560 1.299 1.00 21.01 H new ATOM 0 HD22 LEU A 24 -7.642 -5.310 -0.390 1.00 21.01 H new ATOM 0 HD23 LEU A 24 -6.710 -6.759 0.056 1.00 21.01 H new ATOM 382 N LEU A 25 -3.872 -6.365 -4.107 1.00 62.15 N ATOM 383 CA LEU A 25 -3.772 -6.379 -5.563 1.00 1.24 C ATOM 384 C LEU A 25 -4.244 -7.715 -6.129 1.00 33.24 C ATOM 385 O LEU A 25 -4.961 -7.758 -7.129 1.00 41.15 O ATOM 386 CB LEU A 25 -2.331 -6.109 -5.998 1.00 5.51 C ATOM 387 CG LEU A 25 -2.043 -4.706 -6.533 1.00 10.22 C ATOM 388 CD1 LEU A 25 -2.798 -4.465 -7.831 1.00 45.53 C ATOM 389 CD2 LEU A 25 -2.412 -3.653 -5.497 1.00 23.32 C ATOM 0 H LEU A 25 -2.998 -6.153 -3.626 1.00 62.15 H new ATOM 0 HA LEU A 25 -4.417 -5.592 -5.954 1.00 1.24 H new ATOM 0 HB2 LEU A 25 -1.675 -6.293 -5.147 1.00 5.51 H new ATOM 0 HB3 LEU A 25 -2.064 -6.832 -6.769 1.00 5.51 H new ATOM 0 HG LEU A 25 -0.975 -4.628 -6.737 1.00 10.22 H new ATOM 0 HD11 LEU A 25 -2.581 -3.462 -8.197 1.00 45.53 H new ATOM 0 HD12 LEU A 25 -2.486 -5.198 -8.575 1.00 45.53 H new ATOM 0 HD13 LEU A 25 -3.869 -4.562 -7.653 1.00 45.53 H new ATOM 0 HD21 LEU A 25 -2.200 -2.661 -5.895 1.00 23.32 H new ATOM 0 HD22 LEU A 25 -3.473 -3.730 -5.262 1.00 23.32 H new ATOM 0 HD23 LEU A 25 -1.827 -3.813 -4.591 1.00 23.32 H new ATOM 401 N ASP A 26 -3.840 -8.802 -5.481 1.00 4.14 N ATOM 402 CA ASP A 26 -4.224 -10.139 -5.917 1.00 62.14 C ATOM 403 C ASP A 26 -5.737 -10.319 -5.850 1.00 51.24 C ATOM 404 O ASP A 26 -6.391 -10.544 -6.869 1.00 35.34 O ATOM 405 CB ASP A 26 -3.534 -11.198 -5.055 1.00 10.04 C ATOM 406 CG ASP A 26 -3.662 -12.592 -5.637 1.00 0.21 C ATOM 407 OD1 ASP A 26 -2.882 -12.926 -6.553 1.00 61.12 O ATOM 408 OD2 ASP A 26 -4.541 -13.348 -5.175 1.00 53.12 O ATOM 0 H ASP A 26 -3.246 -8.783 -4.652 1.00 4.14 H new ATOM 0 HA ASP A 26 -3.907 -10.261 -6.953 1.00 62.14 H new ATOM 0 HB2 ASP A 26 -2.479 -10.946 -4.951 1.00 10.04 H new ATOM 0 HB3 ASP A 26 -3.965 -11.184 -4.054 1.00 10.04 H new ATOM 413 N ASP A 27 -6.287 -10.218 -4.645 1.00 30.55 N ATOM 414 CA ASP A 27 -7.724 -10.369 -4.446 1.00 25.54 C ATOM 415 C ASP A 27 -8.498 -9.346 -5.269 1.00 43.11 C ATOM 416 O ASP A 27 -9.681 -9.530 -5.556 1.00 31.33 O ATOM 417 CB ASP A 27 -8.073 -10.220 -2.964 1.00 25.14 C ATOM 418 CG ASP A 27 -7.311 -9.089 -2.301 1.00 42.30 C ATOM 419 OD1 ASP A 27 -7.756 -7.927 -2.415 1.00 21.41 O ATOM 420 OD2 ASP A 27 -6.271 -9.365 -1.667 1.00 53.05 O ATOM 0 H ASP A 27 -5.760 -10.032 -3.792 1.00 30.55 H new ATOM 0 HA ASP A 27 -8.009 -11.367 -4.780 1.00 25.54 H new ATOM 0 HB2 ASP A 27 -9.144 -10.042 -2.862 1.00 25.14 H new ATOM 0 HB3 ASP A 27 -7.854 -11.154 -2.446 1.00 25.14 H new ATOM 425 N LEU A 28 -7.823 -8.264 -5.645 1.00 74.42 N ATOM 426 CA LEU A 28 -8.448 -7.209 -6.435 1.00 34.42 C ATOM 427 C LEU A 28 -8.739 -7.691 -7.853 1.00 32.01 C ATOM 428 O LEU A 28 -9.642 -7.184 -8.519 1.00 32.41 O ATOM 429 CB LEU A 28 -7.545 -5.975 -6.479 1.00 20.40 C ATOM 430 CG LEU A 28 -7.900 -4.850 -5.507 1.00 40.15 C ATOM 431 CD1 LEU A 28 -6.799 -3.801 -5.481 1.00 70.04 C ATOM 432 CD2 LEU A 28 -9.232 -4.219 -5.885 1.00 71.03 C ATOM 0 H LEU A 28 -6.844 -8.095 -5.415 1.00 74.42 H new ATOM 0 HA LEU A 28 -9.392 -6.944 -5.960 1.00 34.42 H new ATOM 0 HB2 LEU A 28 -6.521 -6.291 -6.279 1.00 20.40 H new ATOM 0 HB3 LEU A 28 -7.563 -5.572 -7.492 1.00 20.40 H new ATOM 0 HG LEU A 28 -7.993 -5.275 -4.507 1.00 40.15 H new ATOM 0 HD11 LEU A 28 -7.069 -3.008 -4.784 1.00 70.04 H new ATOM 0 HD12 LEU A 28 -5.864 -4.262 -5.162 1.00 70.04 H new ATOM 0 HD13 LEU A 28 -6.674 -3.380 -6.479 1.00 70.04 H new ATOM 0 HD21 LEU A 28 -9.469 -3.420 -5.182 1.00 71.03 H new ATOM 0 HD22 LEU A 28 -9.167 -3.808 -6.893 1.00 71.03 H new ATOM 0 HD23 LEU A 28 -10.016 -4.976 -5.851 1.00 71.03 H new ATOM 444 N LYS A 29 -7.970 -8.674 -8.308 1.00 34.43 N ATOM 445 CA LYS A 29 -8.147 -9.228 -9.645 1.00 21.51 C ATOM 446 C LYS A 29 -9.613 -9.555 -9.910 1.00 13.12 C ATOM 447 O LYS A 29 -10.091 -9.444 -11.039 1.00 32.52 O ATOM 448 CB LYS A 29 -7.295 -10.487 -9.815 1.00 23.41 C ATOM 449 CG LYS A 29 -7.849 -11.700 -9.088 1.00 32.21 C ATOM 450 CD LYS A 29 -6.811 -12.803 -8.970 1.00 32.14 C ATOM 451 CE LYS A 29 -6.731 -13.343 -7.550 1.00 63.24 C ATOM 452 NZ LYS A 29 -6.496 -14.814 -7.528 1.00 53.23 N ATOM 0 H LYS A 29 -7.217 -9.104 -7.770 1.00 34.43 H new ATOM 0 HA LYS A 29 -7.824 -8.477 -10.367 1.00 21.51 H new ATOM 0 HB2 LYS A 29 -7.211 -10.718 -10.877 1.00 23.41 H new ATOM 0 HB3 LYS A 29 -6.287 -10.285 -9.452 1.00 23.41 H new ATOM 0 HG2 LYS A 29 -8.184 -11.407 -8.093 1.00 32.21 H new ATOM 0 HG3 LYS A 29 -8.722 -12.077 -9.621 1.00 32.21 H new ATOM 0 HD2 LYS A 29 -7.060 -13.613 -9.655 1.00 32.14 H new ATOM 0 HD3 LYS A 29 -5.836 -12.420 -9.270 1.00 32.14 H new ATOM 0 HE2 LYS A 29 -5.927 -12.839 -7.015 1.00 63.24 H new ATOM 0 HE3 LYS A 29 -7.657 -13.115 -7.022 1.00 63.24 H new ATOM 0 HZ1 LYS A 29 -6.448 -15.143 -6.543 1.00 53.23 H new ATOM 0 HZ2 LYS A 29 -7.276 -15.298 -8.017 1.00 53.23 H new ATOM 0 HZ3 LYS A 29 -5.600 -15.030 -8.009 1.00 53.23 H new ATOM 466 N THR A 30 -10.324 -9.956 -8.860 1.00 52.33 N ATOM 467 CA THR A 30 -11.736 -10.297 -8.979 1.00 21.52 C ATOM 468 C THR A 30 -12.621 -9.094 -8.674 1.00 63.10 C ATOM 469 O THR A 30 -13.697 -8.940 -9.253 1.00 61.42 O ATOM 470 CB THR A 30 -12.116 -11.453 -8.033 1.00 72.13 C ATOM 471 OG1 THR A 30 -11.904 -11.061 -6.672 1.00 34.31 O ATOM 472 CG2 THR A 30 -11.296 -12.697 -8.341 1.00 41.42 C ATOM 0 H THR A 30 -9.945 -10.052 -7.918 1.00 52.33 H new ATOM 0 HA THR A 30 -11.899 -10.611 -10.010 1.00 21.52 H new ATOM 0 HB THR A 30 -13.170 -11.686 -8.184 1.00 72.13 H new ATOM 0 HG1 THR A 30 -11.005 -10.683 -6.577 1.00 34.31 H new ATOM 0 HG21 THR A 30 -11.582 -13.499 -7.660 1.00 41.42 H new ATOM 0 HG22 THR A 30 -11.481 -13.010 -9.369 1.00 41.42 H new ATOM 0 HG23 THR A 30 -10.236 -12.475 -8.215 1.00 41.42 H new ATOM 480 N ASP A 31 -12.161 -8.244 -7.763 1.00 32.34 N ATOM 481 CA ASP A 31 -12.911 -7.053 -7.382 1.00 52.11 C ATOM 482 C ASP A 31 -13.027 -6.086 -8.556 1.00 55.12 C ATOM 483 O ASP A 31 -12.021 -5.627 -9.098 1.00 41.41 O ATOM 484 CB ASP A 31 -12.238 -6.358 -6.197 1.00 45.00 C ATOM 485 CG ASP A 31 -13.217 -5.552 -5.366 1.00 23.11 C ATOM 486 OD1 ASP A 31 -14.416 -5.901 -5.359 1.00 63.50 O ATOM 487 OD2 ASP A 31 -12.785 -4.572 -4.725 1.00 4.03 O ATOM 0 H ASP A 31 -11.273 -8.357 -7.275 1.00 32.34 H new ATOM 0 HA ASP A 31 -13.914 -7.363 -7.089 1.00 52.11 H new ATOM 0 HB2 ASP A 31 -11.759 -7.106 -5.565 1.00 45.00 H new ATOM 0 HB3 ASP A 31 -11.451 -5.700 -6.565 1.00 45.00 H new ATOM 492 N LEU A 32 -14.260 -5.781 -8.946 1.00 21.44 N ATOM 493 CA LEU A 32 -14.509 -4.869 -10.056 1.00 70.41 C ATOM 494 C LEU A 32 -14.761 -3.452 -9.552 1.00 33.51 C ATOM 495 O LEU A 32 -15.286 -2.608 -10.279 1.00 21.51 O ATOM 496 CB LEU A 32 -15.705 -5.351 -10.879 1.00 14.43 C ATOM 497 CG LEU A 32 -15.740 -4.901 -12.340 1.00 42.45 C ATOM 498 CD1 LEU A 32 -14.778 -5.729 -13.177 1.00 72.54 C ATOM 499 CD2 LEU A 32 -17.153 -4.999 -12.895 1.00 12.50 C ATOM 0 H LEU A 32 -15.103 -6.153 -8.509 1.00 21.44 H new ATOM 0 HA LEU A 32 -13.622 -4.856 -10.689 1.00 70.41 H new ATOM 0 HB2 LEU A 32 -15.722 -6.441 -10.855 1.00 14.43 H new ATOM 0 HB3 LEU A 32 -16.618 -5.008 -10.392 1.00 14.43 H new ATOM 0 HG LEU A 32 -15.425 -3.859 -12.386 1.00 42.45 H new ATOM 0 HD11 LEU A 32 -14.817 -5.394 -14.214 1.00 72.54 H new ATOM 0 HD12 LEU A 32 -13.765 -5.607 -12.794 1.00 72.54 H new ATOM 0 HD13 LEU A 32 -15.062 -6.780 -13.124 1.00 72.54 H new ATOM 0 HD21 LEU A 32 -17.158 -4.675 -13.936 1.00 12.50 H new ATOM 0 HD22 LEU A 32 -17.497 -6.032 -12.835 1.00 12.50 H new ATOM 0 HD23 LEU A 32 -17.818 -4.361 -12.313 1.00 12.50 H new ATOM 511 N ASP A 33 -14.383 -3.198 -8.304 1.00 73.11 N ATOM 512 CA ASP A 33 -14.566 -1.882 -7.702 1.00 64.35 C ATOM 513 C ASP A 33 -13.360 -0.988 -7.976 1.00 31.30 C ATOM 514 O ASP A 33 -13.445 -0.033 -8.746 1.00 74.45 O ATOM 515 CB ASP A 33 -14.789 -2.013 -6.195 1.00 4.50 C ATOM 516 CG ASP A 33 -14.758 -0.673 -5.487 1.00 65.34 C ATOM 517 OD1 ASP A 33 -13.659 -0.247 -5.074 1.00 1.00 O ATOM 518 OD2 ASP A 33 -15.830 -0.051 -5.345 1.00 15.21 O ATOM 0 H ASP A 33 -13.948 -3.886 -7.689 1.00 73.11 H new ATOM 0 HA ASP A 33 -15.446 -1.422 -8.152 1.00 64.35 H new ATOM 0 HB2 ASP A 33 -15.750 -2.495 -6.013 1.00 4.50 H new ATOM 0 HB3 ASP A 33 -14.022 -2.662 -5.772 1.00 4.50 H new ATOM 523 N ASN A 34 -12.239 -1.305 -7.337 1.00 3.03 N ATOM 524 CA ASN A 34 -11.015 -0.530 -7.510 1.00 13.14 C ATOM 525 C ASN A 34 -10.221 -1.026 -8.713 1.00 74.15 C ATOM 526 O ASN A 34 -9.202 -1.699 -8.563 1.00 74.41 O ATOM 527 CB ASN A 34 -10.154 -0.611 -6.248 1.00 43.41 C ATOM 528 CG ASN A 34 -10.414 0.540 -5.295 1.00 20.54 C ATOM 529 OD1 ASN A 34 -10.900 1.596 -5.697 1.00 40.12 O ATOM 530 ND2 ASN A 34 -10.093 0.338 -4.022 1.00 4.11 N ATOM 0 H ASN A 34 -12.152 -2.093 -6.695 1.00 3.03 H new ATOM 0 HA ASN A 34 -11.295 0.509 -7.686 1.00 13.14 H new ATOM 0 HB2 ASN A 34 -10.351 -1.554 -5.737 1.00 43.41 H new ATOM 0 HB3 ASN A 34 -9.101 -0.615 -6.530 1.00 43.41 H new ATOM 0 HD21 ASN A 34 -10.248 1.075 -3.334 1.00 4.11 H new ATOM 0 HD22 ASN A 34 -9.692 -0.554 -3.733 1.00 4.11 H new ATOM 537 N GLU A 35 -10.696 -0.688 -9.908 1.00 72.14 N ATOM 538 CA GLU A 35 -10.031 -1.100 -11.138 1.00 71.15 C ATOM 539 C GLU A 35 -8.851 -0.185 -11.453 1.00 22.04 C ATOM 540 O GLU A 35 -7.726 -0.647 -11.644 1.00 53.32 O ATOM 541 CB GLU A 35 -11.020 -1.095 -12.307 1.00 44.40 C ATOM 542 CG GLU A 35 -11.494 -2.481 -12.710 1.00 3.23 C ATOM 543 CD GLU A 35 -11.983 -2.536 -14.144 1.00 14.52 C ATOM 544 OE1 GLU A 35 -12.743 -1.629 -14.547 1.00 24.53 O ATOM 545 OE2 GLU A 35 -11.608 -3.485 -14.862 1.00 53.23 O ATOM 0 H GLU A 35 -11.538 -0.130 -10.050 1.00 72.14 H new ATOM 0 HA GLU A 35 -9.655 -2.113 -10.994 1.00 71.15 H new ATOM 0 HB2 GLU A 35 -11.885 -0.489 -12.037 1.00 44.40 H new ATOM 0 HB3 GLU A 35 -10.551 -0.617 -13.167 1.00 44.40 H new ATOM 0 HG2 GLU A 35 -10.678 -3.192 -12.581 1.00 3.23 H new ATOM 0 HG3 GLU A 35 -12.298 -2.794 -12.044 1.00 3.23 H new ATOM 552 N SER A 36 -9.117 1.116 -11.503 1.00 0.21 N ATOM 553 CA SER A 36 -8.079 2.098 -11.797 1.00 65.13 C ATOM 554 C SER A 36 -7.351 2.518 -10.523 1.00 71.43 C ATOM 555 O SER A 36 -6.211 2.980 -10.570 1.00 0.12 O ATOM 556 CB SER A 36 -8.687 3.325 -12.480 1.00 25.22 C ATOM 557 OG SER A 36 -9.782 3.832 -11.736 1.00 71.11 O ATOM 0 H SER A 36 -10.042 1.515 -11.344 1.00 0.21 H new ATOM 0 HA SER A 36 -7.357 1.637 -12.471 1.00 65.13 H new ATOM 0 HB2 SER A 36 -7.927 4.099 -12.588 1.00 25.22 H new ATOM 0 HB3 SER A 36 -9.017 3.060 -13.484 1.00 25.22 H new ATOM 0 HG SER A 36 -10.152 4.617 -12.192 1.00 71.11 H new ATOM 563 N LEU A 37 -8.020 2.354 -9.387 1.00 3.41 N ATOM 564 CA LEU A 37 -7.438 2.716 -8.099 1.00 2.13 C ATOM 565 C LEU A 37 -6.133 1.964 -7.860 1.00 12.42 C ATOM 566 O LEU A 37 -5.221 2.472 -7.206 1.00 35.24 O ATOM 567 CB LEU A 37 -8.426 2.417 -6.970 1.00 20.21 C ATOM 568 CG LEU A 37 -7.974 2.808 -5.561 1.00 61.44 C ATOM 569 CD1 LEU A 37 -7.067 1.735 -4.976 1.00 3.42 C ATOM 570 CD2 LEU A 37 -7.266 4.154 -5.583 1.00 14.20 C ATOM 0 H LEU A 37 -8.965 1.973 -9.331 1.00 3.41 H new ATOM 0 HA LEU A 37 -7.222 3.784 -8.113 1.00 2.13 H new ATOM 0 HB2 LEU A 37 -9.361 2.933 -7.186 1.00 20.21 H new ATOM 0 HB3 LEU A 37 -8.643 1.349 -6.977 1.00 20.21 H new ATOM 0 HG LEU A 37 -8.856 2.895 -4.927 1.00 61.44 H new ATOM 0 HD11 LEU A 37 -6.755 2.029 -3.974 1.00 3.42 H new ATOM 0 HD12 LEU A 37 -7.608 0.790 -4.925 1.00 3.42 H new ATOM 0 HD13 LEU A 37 -6.188 1.616 -5.610 1.00 3.42 H new ATOM 0 HD21 LEU A 37 -6.952 4.416 -4.573 1.00 14.20 H new ATOM 0 HD22 LEU A 37 -6.392 4.095 -6.231 1.00 14.20 H new ATOM 0 HD23 LEU A 37 -7.947 4.917 -5.961 1.00 14.20 H new ATOM 582 N LYS A 38 -6.048 0.751 -8.396 1.00 51.12 N ATOM 583 CA LYS A 38 -4.853 -0.070 -8.246 1.00 24.21 C ATOM 584 C LYS A 38 -3.601 0.716 -8.620 1.00 1.33 C ATOM 585 O LYS A 38 -2.518 0.468 -8.089 1.00 52.33 O ATOM 586 CB LYS A 38 -4.959 -1.325 -9.115 1.00 73.31 C ATOM 587 CG LYS A 38 -6.290 -2.046 -8.985 1.00 44.11 C ATOM 588 CD LYS A 38 -6.103 -3.550 -8.891 1.00 65.14 C ATOM 589 CE LYS A 38 -5.696 -4.146 -10.230 1.00 70.33 C ATOM 590 NZ LYS A 38 -4.918 -5.404 -10.065 1.00 60.04 N ATOM 0 H LYS A 38 -6.793 0.315 -8.939 1.00 51.12 H new ATOM 0 HA LYS A 38 -4.775 -0.365 -7.200 1.00 24.21 H new ATOM 0 HB2 LYS A 38 -4.806 -1.048 -10.158 1.00 73.31 H new ATOM 0 HB3 LYS A 38 -4.156 -2.011 -8.846 1.00 73.31 H new ATOM 0 HG2 LYS A 38 -6.814 -1.688 -8.099 1.00 44.11 H new ATOM 0 HG3 LYS A 38 -6.918 -1.810 -9.844 1.00 44.11 H new ATOM 0 HD2 LYS A 38 -5.342 -3.777 -8.144 1.00 65.14 H new ATOM 0 HD3 LYS A 38 -7.030 -4.013 -8.552 1.00 65.14 H new ATOM 0 HE2 LYS A 38 -6.588 -4.346 -10.824 1.00 70.33 H new ATOM 0 HE3 LYS A 38 -5.100 -3.421 -10.784 1.00 70.33 H new ATOM 0 HZ1 LYS A 38 -3.918 -5.226 -10.290 1.00 60.04 H new ATOM 0 HZ2 LYS A 38 -4.998 -5.736 -9.083 1.00 60.04 H new ATOM 0 HZ3 LYS A 38 -5.293 -6.131 -10.707 1.00 60.04 H new ATOM 604 N LYS A 39 -3.756 1.667 -9.535 1.00 20.04 N ATOM 605 CA LYS A 39 -2.639 2.492 -9.978 1.00 14.53 C ATOM 606 C LYS A 39 -1.933 3.137 -8.789 1.00 71.10 C ATOM 607 O LYS A 39 -0.716 3.318 -8.801 1.00 1.51 O ATOM 608 CB LYS A 39 -3.129 3.575 -10.942 1.00 15.45 C ATOM 609 CG LYS A 39 -3.787 4.755 -10.247 1.00 30.44 C ATOM 610 CD LYS A 39 -4.245 5.805 -11.244 1.00 55.23 C ATOM 611 CE LYS A 39 -5.390 5.294 -12.106 1.00 64.23 C ATOM 612 NZ LYS A 39 -5.785 6.283 -13.146 1.00 53.55 N ATOM 0 H LYS A 39 -4.645 1.885 -9.984 1.00 20.04 H new ATOM 0 HA LYS A 39 -1.927 1.848 -10.495 1.00 14.53 H new ATOM 0 HB2 LYS A 39 -2.285 3.935 -11.530 1.00 15.45 H new ATOM 0 HB3 LYS A 39 -3.839 3.133 -11.641 1.00 15.45 H new ATOM 0 HG2 LYS A 39 -4.641 4.406 -9.666 1.00 30.44 H new ATOM 0 HG3 LYS A 39 -3.085 5.202 -9.544 1.00 30.44 H new ATOM 0 HD2 LYS A 39 -4.562 6.701 -10.710 1.00 55.23 H new ATOM 0 HD3 LYS A 39 -3.409 6.092 -11.881 1.00 55.23 H new ATOM 0 HE2 LYS A 39 -5.095 4.361 -12.586 1.00 64.23 H new ATOM 0 HE3 LYS A 39 -6.249 5.070 -11.473 1.00 64.23 H new ATOM 0 HZ1 LYS A 39 -6.568 5.898 -13.712 1.00 53.55 H new ATOM 0 HZ2 LYS A 39 -6.091 7.165 -12.688 1.00 53.55 H new ATOM 0 HZ3 LYS A 39 -4.973 6.478 -13.766 1.00 53.55 H new ATOM 626 N VAL A 40 -2.705 3.479 -7.762 1.00 50.23 N ATOM 627 CA VAL A 40 -2.153 4.100 -6.565 1.00 12.23 C ATOM 628 C VAL A 40 -1.268 3.124 -5.797 1.00 51.20 C ATOM 629 O VAL A 40 -0.070 3.357 -5.628 1.00 74.33 O ATOM 630 CB VAL A 40 -3.268 4.608 -5.632 1.00 2.13 C ATOM 631 CG1 VAL A 40 -2.738 4.794 -4.218 1.00 61.20 C ATOM 632 CG2 VAL A 40 -3.858 5.905 -6.163 1.00 4.13 C ATOM 0 H VAL A 40 -3.715 3.336 -7.736 1.00 50.23 H new ATOM 0 HA VAL A 40 -1.552 4.947 -6.896 1.00 12.23 H new ATOM 0 HB VAL A 40 -4.061 3.860 -5.602 1.00 2.13 H new ATOM 0 HG11 VAL A 40 -3.540 5.153 -3.573 1.00 61.20 H new ATOM 0 HG12 VAL A 40 -2.368 3.841 -3.840 1.00 61.20 H new ATOM 0 HG13 VAL A 40 -1.926 5.521 -4.227 1.00 61.20 H new ATOM 0 HG21 VAL A 40 -4.644 6.249 -5.491 1.00 4.13 H new ATOM 0 HG22 VAL A 40 -3.076 6.662 -6.224 1.00 4.13 H new ATOM 0 HG23 VAL A 40 -4.277 5.735 -7.155 1.00 4.13 H new ATOM 642 N LEU A 41 -1.865 2.031 -5.335 1.00 25.20 N ATOM 643 CA LEU A 41 -1.130 1.018 -4.586 1.00 13.22 C ATOM 644 C LEU A 41 0.140 0.608 -5.324 1.00 41.21 C ATOM 645 O LEU A 41 1.231 0.625 -4.756 1.00 62.53 O ATOM 646 CB LEU A 41 -2.014 -0.208 -4.348 1.00 23.43 C ATOM 647 CG LEU A 41 -3.218 0.000 -3.429 1.00 33.13 C ATOM 648 CD1 LEU A 41 -4.395 -0.844 -3.892 1.00 11.11 C ATOM 649 CD2 LEU A 41 -2.854 -0.333 -1.989 1.00 11.13 C ATOM 0 H LEU A 41 -2.855 1.824 -5.466 1.00 25.20 H new ATOM 0 HA LEU A 41 -0.846 1.447 -3.625 1.00 13.22 H new ATOM 0 HB2 LEU A 41 -2.376 -0.563 -5.313 1.00 23.43 H new ATOM 0 HB3 LEU A 41 -1.395 -1.001 -3.929 1.00 23.43 H new ATOM 0 HG LEU A 41 -3.509 1.049 -3.476 1.00 33.13 H new ATOM 0 HD11 LEU A 41 -5.243 -0.683 -3.226 1.00 11.11 H new ATOM 0 HD12 LEU A 41 -4.671 -0.557 -4.907 1.00 11.11 H new ATOM 0 HD13 LEU A 41 -4.116 -1.898 -3.876 1.00 11.11 H new ATOM 0 HD21 LEU A 41 -3.723 -0.179 -1.349 1.00 11.13 H new ATOM 0 HD22 LEU A 41 -2.536 -1.374 -1.925 1.00 11.13 H new ATOM 0 HD23 LEU A 41 -2.042 0.315 -1.660 1.00 11.13 H new ATOM 661 N GLU A 42 -0.011 0.243 -6.593 1.00 11.32 N ATOM 662 CA GLU A 42 1.125 -0.170 -7.409 1.00 52.42 C ATOM 663 C GLU A 42 2.191 0.922 -7.449 1.00 23.12 C ATOM 664 O GLU A 42 3.369 0.662 -7.208 1.00 52.14 O ATOM 665 CB GLU A 42 0.666 -0.502 -8.830 1.00 42.24 C ATOM 666 CG GLU A 42 -0.073 -1.824 -8.938 1.00 23.34 C ATOM 667 CD GLU A 42 0.236 -2.563 -10.226 1.00 0.22 C ATOM 668 OE1 GLU A 42 0.339 -1.901 -11.280 1.00 1.23 O ATOM 669 OE2 GLU A 42 0.374 -3.804 -10.179 1.00 52.32 O ATOM 0 H GLU A 42 -0.908 0.225 -7.078 1.00 11.32 H new ATOM 0 HA GLU A 42 1.559 -1.062 -6.958 1.00 52.42 H new ATOM 0 HB2 GLU A 42 0.018 0.297 -9.189 1.00 42.24 H new ATOM 0 HB3 GLU A 42 1.535 -0.527 -9.487 1.00 42.24 H new ATOM 0 HG2 GLU A 42 0.192 -2.454 -8.089 1.00 23.34 H new ATOM 0 HG3 GLU A 42 -1.146 -1.642 -8.877 1.00 23.34 H new ATOM 676 N ASN A 43 1.767 2.144 -7.754 1.00 42.22 N ATOM 677 CA ASN A 43 2.684 3.275 -7.827 1.00 2.23 C ATOM 678 C ASN A 43 3.451 3.439 -6.518 1.00 21.14 C ATOM 679 O ASN A 43 4.661 3.222 -6.463 1.00 64.13 O ATOM 680 CB ASN A 43 1.918 4.561 -8.146 1.00 65.51 C ATOM 681 CG ASN A 43 1.802 4.809 -9.637 1.00 42.41 C ATOM 682 OD1 ASN A 43 1.475 3.764 -10.388 1.00 11.14 O flip ATOM 683 ND2 ASN A 43 2.006 5.929 -10.109 1.00 2.12 N flip ATOM 0 H ASN A 43 0.794 2.376 -7.955 1.00 42.22 H new ATOM 0 HA ASN A 43 3.400 3.079 -8.625 1.00 2.23 H new ATOM 0 HB2 ASN A 43 0.920 4.504 -7.711 1.00 65.51 H new ATOM 0 HB3 ASN A 43 2.422 5.407 -7.678 1.00 65.51 H new ATOM 0 HD21 ASN A 43 2.255 6.704 -9.494 1.00 2.12 H new ATOM 0 HD22 ASN A 43 1.926 6.081 -11.114 1.00 2.12 H new ATOM 690 N TYR A 44 2.738 3.822 -5.464 1.00 40.32 N ATOM 691 CA TYR A 44 3.350 4.017 -4.156 1.00 43.11 C ATOM 692 C TYR A 44 4.193 2.808 -3.764 1.00 32.41 C ATOM 693 O TYR A 44 5.264 2.947 -3.172 1.00 65.41 O ATOM 694 CB TYR A 44 2.275 4.268 -3.098 1.00 11.45 C ATOM 695 CG TYR A 44 1.752 5.687 -3.091 1.00 53.14 C ATOM 696 CD1 TYR A 44 2.358 6.668 -2.315 1.00 72.41 C ATOM 697 CD2 TYR A 44 0.651 6.046 -3.859 1.00 13.24 C ATOM 698 CE1 TYR A 44 1.882 7.965 -2.305 1.00 45.33 C ATOM 699 CE2 TYR A 44 0.171 7.341 -3.856 1.00 33.54 C ATOM 700 CZ TYR A 44 0.789 8.296 -3.077 1.00 40.33 C ATOM 701 OH TYR A 44 0.312 9.587 -3.071 1.00 51.03 O ATOM 0 H TYR A 44 1.735 4.004 -5.491 1.00 40.32 H new ATOM 0 HA TYR A 44 4.002 4.889 -4.215 1.00 43.11 H new ATOM 0 HB2 TYR A 44 1.443 3.584 -3.268 1.00 11.45 H new ATOM 0 HB3 TYR A 44 2.684 4.035 -2.115 1.00 11.45 H new ATOM 0 HD1 TYR A 44 3.215 6.412 -1.710 1.00 72.41 H new ATOM 0 HD2 TYR A 44 0.163 5.300 -4.468 1.00 13.24 H new ATOM 0 HE1 TYR A 44 2.364 8.715 -1.696 1.00 45.33 H new ATOM 0 HE2 TYR A 44 -0.684 7.604 -4.461 1.00 33.54 H new ATOM 0 HH TYR A 44 -0.306 9.711 -3.821 1.00 51.03 H new ATOM 711 N LEU A 45 3.702 1.619 -4.099 1.00 5.03 N ATOM 712 CA LEU A 45 4.409 0.383 -3.783 1.00 61.33 C ATOM 713 C LEU A 45 5.808 0.386 -4.390 1.00 65.41 C ATOM 714 O LEU A 45 6.771 -0.047 -3.756 1.00 13.01 O ATOM 715 CB LEU A 45 3.621 -0.824 -4.296 1.00 54.11 C ATOM 716 CG LEU A 45 4.362 -2.161 -4.292 1.00 74.10 C ATOM 717 CD1 LEU A 45 4.632 -2.617 -2.866 1.00 50.15 C ATOM 718 CD2 LEU A 45 3.566 -3.214 -5.048 1.00 71.14 C ATOM 0 H LEU A 45 2.818 1.485 -4.589 1.00 5.03 H new ATOM 0 HA LEU A 45 4.503 0.314 -2.699 1.00 61.33 H new ATOM 0 HB2 LEU A 45 2.721 -0.929 -3.690 1.00 54.11 H new ATOM 0 HB3 LEU A 45 3.297 -0.614 -5.315 1.00 54.11 H new ATOM 0 HG LEU A 45 5.319 -2.026 -4.796 1.00 74.10 H new ATOM 0 HD11 LEU A 45 5.160 -3.570 -2.883 1.00 50.15 H new ATOM 0 HD12 LEU A 45 5.243 -1.873 -2.355 1.00 50.15 H new ATOM 0 HD13 LEU A 45 3.687 -2.735 -2.337 1.00 50.15 H new ATOM 0 HD21 LEU A 45 4.109 -4.159 -5.035 1.00 71.14 H new ATOM 0 HD22 LEU A 45 2.594 -3.347 -4.572 1.00 71.14 H new ATOM 0 HD23 LEU A 45 3.424 -2.892 -6.079 1.00 71.14 H new ATOM 730 N GLU A 46 5.913 0.878 -5.621 1.00 63.51 N ATOM 731 CA GLU A 46 7.196 0.937 -6.311 1.00 44.52 C ATOM 732 C GLU A 46 8.185 1.812 -5.547 1.00 63.34 C ATOM 733 O GLU A 46 9.399 1.661 -5.687 1.00 13.43 O ATOM 734 CB GLU A 46 7.011 1.477 -7.731 1.00 3.23 C ATOM 735 CG GLU A 46 7.197 2.982 -7.839 1.00 62.45 C ATOM 736 CD GLU A 46 6.401 3.588 -8.978 1.00 73.51 C ATOM 737 OE1 GLU A 46 6.397 2.997 -10.079 1.00 24.12 O ATOM 738 OE2 GLU A 46 5.781 4.651 -8.769 1.00 55.04 O ATOM 0 H GLU A 46 5.126 1.241 -6.160 1.00 63.51 H new ATOM 0 HA GLU A 46 7.599 -0.075 -6.364 1.00 44.52 H new ATOM 0 HB2 GLU A 46 7.721 0.983 -8.394 1.00 3.23 H new ATOM 0 HB3 GLU A 46 6.013 1.217 -8.083 1.00 3.23 H new ATOM 0 HG2 GLU A 46 6.896 3.450 -6.901 1.00 62.45 H new ATOM 0 HG3 GLU A 46 8.255 3.204 -7.981 1.00 62.45 H new ATOM 745 N GLU A 47 7.657 2.727 -4.741 1.00 13.34 N ATOM 746 CA GLU A 47 8.494 3.627 -3.956 1.00 53.41 C ATOM 747 C GLU A 47 9.323 2.850 -2.938 1.00 32.42 C ATOM 748 O GLU A 47 10.491 3.163 -2.703 1.00 64.24 O ATOM 749 CB GLU A 47 7.630 4.667 -3.239 1.00 14.41 C ATOM 750 CG GLU A 47 6.665 5.396 -4.160 1.00 23.25 C ATOM 751 CD GLU A 47 7.350 6.454 -5.002 1.00 35.22 C ATOM 752 OE1 GLU A 47 7.996 7.350 -4.420 1.00 53.13 O ATOM 753 OE2 GLU A 47 7.238 6.386 -6.244 1.00 40.33 O ATOM 0 H GLU A 47 6.654 2.865 -4.614 1.00 13.34 H new ATOM 0 HA GLU A 47 9.174 4.137 -4.638 1.00 53.41 H new ATOM 0 HB2 GLU A 47 7.063 4.174 -2.449 1.00 14.41 H new ATOM 0 HB3 GLU A 47 8.280 5.397 -2.757 1.00 14.41 H new ATOM 0 HG2 GLU A 47 6.179 4.674 -4.816 1.00 23.25 H new ATOM 0 HG3 GLU A 47 5.881 5.863 -3.563 1.00 23.25 H new ATOM 760 N LEU A 48 8.712 1.836 -2.336 1.00 51.32 N ATOM 761 CA LEU A 48 9.392 1.013 -1.343 1.00 1.04 C ATOM 762 C LEU A 48 10.690 0.442 -1.905 1.00 33.33 C ATOM 763 O LEU A 48 11.659 0.236 -1.174 1.00 14.43 O ATOM 764 CB LEU A 48 8.479 -0.124 -0.881 1.00 11.22 C ATOM 765 CG LEU A 48 7.360 0.264 0.086 1.00 52.11 C ATOM 766 CD1 LEU A 48 6.006 0.176 -0.602 1.00 63.23 C ATOM 767 CD2 LEU A 48 7.391 -0.622 1.322 1.00 60.24 C ATOM 0 H LEU A 48 7.746 1.564 -2.519 1.00 51.32 H new ATOM 0 HA LEU A 48 9.635 1.645 -0.489 1.00 1.04 H new ATOM 0 HB2 LEU A 48 8.028 -0.582 -1.762 1.00 11.22 H new ATOM 0 HB3 LEU A 48 9.095 -0.887 -0.405 1.00 11.22 H new ATOM 0 HG LEU A 48 7.519 1.296 0.400 1.00 52.11 H new ATOM 0 HD11 LEU A 48 5.222 0.456 0.101 1.00 63.23 H new ATOM 0 HD12 LEU A 48 5.987 0.854 -1.455 1.00 63.23 H new ATOM 0 HD13 LEU A 48 5.838 -0.845 -0.946 1.00 63.23 H new ATOM 0 HD21 LEU A 48 6.587 -0.331 1.999 1.00 60.24 H new ATOM 0 HD22 LEU A 48 7.258 -1.663 1.027 1.00 60.24 H new ATOM 0 HD23 LEU A 48 8.350 -0.508 1.827 1.00 60.24 H new ATOM 779 N LYS A 49 10.702 0.189 -3.210 1.00 4.42 N ATOM 780 CA LYS A 49 11.881 -0.355 -3.872 1.00 65.11 C ATOM 781 C LYS A 49 12.945 0.723 -4.064 1.00 14.13 C ATOM 782 O LYS A 49 14.139 0.428 -4.100 1.00 1.53 O ATOM 783 CB LYS A 49 11.499 -0.955 -5.227 1.00 51.33 C ATOM 784 CG LYS A 49 10.647 -2.207 -5.119 1.00 24.42 C ATOM 785 CD LYS A 49 9.185 -1.869 -4.880 1.00 63.20 C ATOM 786 CE LYS A 49 8.264 -2.797 -5.656 1.00 22.21 C ATOM 787 NZ LYS A 49 8.474 -2.685 -7.127 1.00 21.35 N ATOM 0 H LYS A 49 9.908 0.352 -3.829 1.00 4.42 H new ATOM 0 HA LYS A 49 12.293 -1.139 -3.237 1.00 65.11 H new ATOM 0 HB2 LYS A 49 10.959 -0.207 -5.807 1.00 51.33 H new ATOM 0 HB3 LYS A 49 12.408 -1.191 -5.780 1.00 51.33 H new ATOM 0 HG2 LYS A 49 10.741 -2.792 -6.034 1.00 24.42 H new ATOM 0 HG3 LYS A 49 11.015 -2.829 -4.303 1.00 24.42 H new ATOM 0 HD2 LYS A 49 8.963 -1.942 -3.815 1.00 63.20 H new ATOM 0 HD3 LYS A 49 8.996 -0.837 -5.175 1.00 63.20 H new ATOM 0 HE2 LYS A 49 8.437 -3.826 -5.342 1.00 22.21 H new ATOM 0 HE3 LYS A 49 7.227 -2.561 -5.418 1.00 22.21 H new ATOM 0 HZ1 LYS A 49 7.586 -2.906 -7.622 1.00 21.35 H new ATOM 0 HZ2 LYS A 49 8.770 -1.716 -7.363 1.00 21.35 H new ATOM 0 HZ3 LYS A 49 9.212 -3.355 -7.424 1.00 21.35 H new ATOM 801 N GLN A 50 12.501 1.970 -4.185 1.00 20.54 N ATOM 802 CA GLN A 50 13.415 3.090 -4.371 1.00 1.10 C ATOM 803 C GLN A 50 14.121 3.440 -3.065 1.00 11.25 C ATOM 804 O GLN A 50 13.602 3.187 -1.978 1.00 54.24 O ATOM 805 CB GLN A 50 12.658 4.311 -4.898 1.00 12.34 C ATOM 806 CG GLN A 50 11.783 4.010 -6.103 1.00 54.24 C ATOM 807 CD GLN A 50 11.658 5.193 -7.043 1.00 53.23 C ATOM 808 OE1 GLN A 50 11.986 6.324 -6.684 1.00 30.34 O ATOM 809 NE2 GLN A 50 11.182 4.938 -8.256 1.00 42.25 N ATOM 0 H GLN A 50 11.515 2.230 -4.158 1.00 20.54 H new ATOM 0 HA GLN A 50 14.168 2.794 -5.102 1.00 1.10 H new ATOM 0 HB2 GLN A 50 12.036 4.715 -4.099 1.00 12.34 H new ATOM 0 HB3 GLN A 50 13.376 5.086 -5.165 1.00 12.34 H new ATOM 0 HG2 GLN A 50 12.199 3.161 -6.646 1.00 54.24 H new ATOM 0 HG3 GLN A 50 10.791 3.715 -5.762 1.00 54.24 H new ATOM 0 HE21 GLN A 50 10.922 3.985 -8.512 1.00 42.25 H new ATOM 0 HE22 GLN A 50 11.076 5.695 -8.932 1.00 42.25 H new ATOM 818 N LYS A 51 15.310 4.024 -3.179 1.00 74.32 N ATOM 819 CA LYS A 51 16.088 4.409 -2.008 1.00 52.33 C ATOM 820 C LYS A 51 15.893 5.888 -1.688 1.00 43.11 C ATOM 821 O LYS A 51 16.597 6.449 -0.847 1.00 72.21 O ATOM 822 CB LYS A 51 17.573 4.117 -2.239 1.00 1.13 C ATOM 823 CG LYS A 51 18.186 4.937 -3.361 1.00 23.01 C ATOM 824 CD LYS A 51 19.424 4.263 -3.931 1.00 11.14 C ATOM 825 CE LYS A 51 20.630 4.453 -3.024 1.00 1.23 C ATOM 826 NZ LYS A 51 21.868 3.877 -3.619 1.00 52.13 N ATOM 0 H LYS A 51 15.755 4.241 -4.071 1.00 74.32 H new ATOM 0 HA LYS A 51 15.736 3.822 -1.159 1.00 52.33 H new ATOM 0 HB2 LYS A 51 18.121 4.311 -1.317 1.00 1.13 H new ATOM 0 HB3 LYS A 51 17.696 3.058 -2.465 1.00 1.13 H new ATOM 0 HG2 LYS A 51 17.451 5.079 -4.153 1.00 23.01 H new ATOM 0 HG3 LYS A 51 18.448 5.927 -2.988 1.00 23.01 H new ATOM 0 HD2 LYS A 51 19.231 3.198 -4.064 1.00 11.14 H new ATOM 0 HD3 LYS A 51 19.641 4.673 -4.917 1.00 11.14 H new ATOM 0 HE2 LYS A 51 20.779 5.516 -2.835 1.00 1.23 H new ATOM 0 HE3 LYS A 51 20.437 3.982 -2.060 1.00 1.23 H new ATOM 0 HZ1 LYS A 51 22.667 4.027 -2.970 1.00 52.13 H new ATOM 0 HZ2 LYS A 51 21.736 2.857 -3.776 1.00 52.13 H new ATOM 0 HZ3 LYS A 51 22.067 4.344 -4.527 1.00 52.13 H new ATOM 840 N SER A 52 14.934 6.514 -2.363 1.00 63.12 N ATOM 841 CA SER A 52 14.649 7.928 -2.153 1.00 22.21 C ATOM 842 C SER A 52 13.700 8.121 -0.975 1.00 13.04 C ATOM 843 O SER A 52 14.111 8.539 0.108 1.00 51.45 O ATOM 844 CB SER A 52 14.044 8.541 -3.417 1.00 14.35 C ATOM 845 OG SER A 52 15.015 8.658 -4.442 1.00 13.23 O ATOM 0 H SER A 52 14.341 6.064 -3.060 1.00 63.12 H new ATOM 0 HA SER A 52 15.588 8.433 -1.927 1.00 22.21 H new ATOM 0 HB2 SER A 52 13.216 7.923 -3.765 1.00 14.35 H new ATOM 0 HB3 SER A 52 13.633 9.524 -3.187 1.00 14.35 H new ATOM 0 HG SER A 52 14.603 9.051 -5.240 1.00 13.23 H new ATOM 851 N ALA A 53 12.426 7.812 -1.193 1.00 13.30 N ATOM 852 CA ALA A 53 11.417 7.950 -0.151 1.00 33.41 C ATOM 853 C ALA A 53 11.554 6.849 0.896 1.00 45.13 C ATOM 854 O ALA A 53 11.822 5.694 0.564 1.00 61.44 O ATOM 855 CB ALA A 53 10.022 7.929 -0.759 1.00 43.30 C ATOM 0 H ALA A 53 12.068 7.464 -2.083 1.00 13.30 H new ATOM 0 HA ALA A 53 11.572 8.909 0.344 1.00 33.41 H new ATOM 0 HB1 ALA A 53 9.279 8.033 0.032 1.00 43.30 H new ATOM 0 HB2 ALA A 53 9.920 8.754 -1.464 1.00 43.30 H new ATOM 0 HB3 ALA A 53 9.867 6.985 -1.281 1.00 43.30 H new ATOM 861 N SER A 54 11.374 7.214 2.160 1.00 13.24 N ATOM 862 CA SER A 54 11.483 6.258 3.256 1.00 53.13 C ATOM 863 C SER A 54 10.247 5.366 3.324 1.00 54.43 C ATOM 864 O SER A 54 9.174 5.736 2.848 1.00 74.33 O ATOM 865 CB SER A 54 11.669 6.992 4.585 1.00 24.14 C ATOM 866 OG SER A 54 12.766 7.889 4.523 1.00 33.21 O ATOM 0 H SER A 54 11.152 8.166 2.452 1.00 13.24 H new ATOM 0 HA SER A 54 12.354 5.629 3.071 1.00 53.13 H new ATOM 0 HB2 SER A 54 10.760 7.541 4.831 1.00 24.14 H new ATOM 0 HB3 SER A 54 11.831 6.269 5.384 1.00 24.14 H new ATOM 0 HG SER A 54 13.446 7.620 5.175 1.00 33.21 H new ATOM 872 N VAL A 55 10.407 4.188 3.920 1.00 14.55 N ATOM 873 CA VAL A 55 9.305 3.243 4.053 1.00 51.22 C ATOM 874 C VAL A 55 8.074 3.914 4.652 1.00 73.43 C ATOM 875 O VAL A 55 6.992 3.920 4.063 1.00 5.12 O ATOM 876 CB VAL A 55 9.700 2.040 4.930 1.00 14.44 C ATOM 877 CG1 VAL A 55 8.485 1.496 5.668 1.00 4.44 C ATOM 878 CG2 VAL A 55 10.352 0.955 4.086 1.00 14.54 C ATOM 0 H VAL A 55 11.289 3.866 4.318 1.00 14.55 H new ATOM 0 HA VAL A 55 9.069 2.889 3.050 1.00 51.22 H new ATOM 0 HB VAL A 55 10.426 2.376 5.671 1.00 14.44 H new ATOM 0 HG11 VAL A 55 8.783 0.647 6.283 1.00 4.44 H new ATOM 0 HG12 VAL A 55 8.067 2.276 6.305 1.00 4.44 H new ATOM 0 HG13 VAL A 55 7.734 1.176 4.946 1.00 4.44 H new ATOM 0 HG21 VAL A 55 10.624 0.113 4.723 1.00 14.54 H new ATOM 0 HG22 VAL A 55 9.652 0.620 3.321 1.00 14.54 H new ATOM 0 HG23 VAL A 55 11.247 1.354 3.609 1.00 14.54 H new ATOM 888 N PRO A 56 8.240 4.492 5.850 1.00 55.23 N ATOM 889 CA PRO A 56 7.152 5.178 6.555 1.00 3.41 C ATOM 890 C PRO A 56 6.750 6.481 5.873 1.00 63.52 C ATOM 891 O PRO A 56 5.727 7.080 6.209 1.00 61.34 O ATOM 892 CB PRO A 56 7.749 5.460 7.936 1.00 12.34 C ATOM 893 CG PRO A 56 9.220 5.505 7.712 1.00 3.20 C ATOM 894 CD PRO A 56 9.501 4.522 6.609 1.00 42.41 C ATOM 0 HA PRO A 56 6.242 4.579 6.582 1.00 3.41 H new ATOM 0 HB2 PRO A 56 7.381 6.403 8.341 1.00 12.34 H new ATOM 0 HB3 PRO A 56 7.481 4.681 8.649 1.00 12.34 H new ATOM 0 HG2 PRO A 56 9.542 6.508 7.432 1.00 3.20 H new ATOM 0 HG3 PRO A 56 9.761 5.238 8.620 1.00 3.20 H new ATOM 0 HD2 PRO A 56 10.337 4.843 5.987 1.00 42.41 H new ATOM 0 HD3 PRO A 56 9.757 3.538 7.003 1.00 42.41 H new ATOM 902 N LEU A 57 7.559 6.915 4.913 1.00 64.22 N ATOM 903 CA LEU A 57 7.287 8.147 4.181 1.00 13.12 C ATOM 904 C LEU A 57 6.285 7.904 3.057 1.00 31.31 C ATOM 905 O LEU A 57 5.409 8.731 2.804 1.00 72.03 O ATOM 906 CB LEU A 57 8.584 8.722 3.609 1.00 74.24 C ATOM 907 CG LEU A 57 9.236 9.844 4.418 1.00 30.33 C ATOM 908 CD1 LEU A 57 10.537 10.285 3.765 1.00 31.32 C ATOM 909 CD2 LEU A 57 8.283 11.021 4.562 1.00 32.40 C ATOM 0 H LEU A 57 8.409 6.432 4.623 1.00 64.22 H new ATOM 0 HA LEU A 57 6.855 8.866 4.878 1.00 13.12 H new ATOM 0 HB2 LEU A 57 9.304 7.910 3.507 1.00 74.24 H new ATOM 0 HB3 LEU A 57 8.381 9.096 2.606 1.00 74.24 H new ATOM 0 HG LEU A 57 9.464 9.464 5.414 1.00 30.33 H new ATOM 0 HD11 LEU A 57 10.987 11.084 4.354 1.00 31.32 H new ATOM 0 HD12 LEU A 57 11.224 9.440 3.715 1.00 31.32 H new ATOM 0 HD13 LEU A 57 10.334 10.648 2.757 1.00 31.32 H new ATOM 0 HD21 LEU A 57 8.764 11.810 5.140 1.00 32.40 H new ATOM 0 HD22 LEU A 57 8.024 11.402 3.574 1.00 32.40 H new ATOM 0 HD23 LEU A 57 7.378 10.696 5.075 1.00 32.40 H new ATOM 921 N ILE A 58 6.420 6.763 2.389 1.00 73.01 N ATOM 922 CA ILE A 58 5.524 6.410 1.295 1.00 72.25 C ATOM 923 C ILE A 58 4.226 5.807 1.820 1.00 61.53 C ATOM 924 O ILE A 58 3.149 6.056 1.277 1.00 54.22 O ATOM 925 CB ILE A 58 6.186 5.411 0.327 1.00 43.44 C ATOM 926 CG1 ILE A 58 7.531 5.954 -0.161 1.00 21.42 C ATOM 927 CG2 ILE A 58 5.266 5.127 -0.852 1.00 11.15 C ATOM 928 CD1 ILE A 58 8.623 4.908 -0.211 1.00 12.04 C ATOM 0 H ILE A 58 7.140 6.068 2.586 1.00 73.01 H new ATOM 0 HA ILE A 58 5.302 7.332 0.758 1.00 72.25 H new ATOM 0 HB ILE A 58 6.364 4.476 0.859 1.00 43.44 H new ATOM 0 HG12 ILE A 58 7.402 6.381 -1.156 1.00 21.42 H new ATOM 0 HG13 ILE A 58 7.846 6.765 0.495 1.00 21.42 H new ATOM 0 HG21 ILE A 58 5.748 4.420 -1.527 1.00 11.15 H new ATOM 0 HG22 ILE A 58 4.330 4.703 -0.489 1.00 11.15 H new ATOM 0 HG23 ILE A 58 5.061 6.055 -1.385 1.00 11.15 H new ATOM 0 HD11 ILE A 58 9.547 5.364 -0.566 1.00 12.04 H new ATOM 0 HD12 ILE A 58 8.780 4.498 0.787 1.00 12.04 H new ATOM 0 HD13 ILE A 58 8.329 4.108 -0.890 1.00 12.04 H new ATOM 940 N LEU A 59 4.334 5.014 2.880 1.00 71.03 N ATOM 941 CA LEU A 59 3.168 4.377 3.480 1.00 63.51 C ATOM 942 C LEU A 59 2.145 5.418 3.924 1.00 61.44 C ATOM 943 O LEU A 59 0.956 5.297 3.633 1.00 54.53 O ATOM 944 CB LEU A 59 3.589 3.519 4.675 1.00 43.04 C ATOM 945 CG LEU A 59 4.327 2.220 4.343 1.00 54.35 C ATOM 946 CD1 LEU A 59 4.784 1.525 5.615 1.00 64.14 C ATOM 947 CD2 LEU A 59 3.438 1.299 3.519 1.00 2.32 C ATOM 0 H LEU A 59 5.217 4.797 3.342 1.00 71.03 H new ATOM 0 HA LEU A 59 2.706 3.739 2.726 1.00 63.51 H new ATOM 0 HB2 LEU A 59 4.227 4.121 5.322 1.00 43.04 H new ATOM 0 HB3 LEU A 59 2.697 3.270 5.250 1.00 43.04 H new ATOM 0 HG LEU A 59 5.209 2.466 3.752 1.00 54.35 H new ATOM 0 HD11 LEU A 59 5.307 0.603 5.358 1.00 64.14 H new ATOM 0 HD12 LEU A 59 5.456 2.182 6.167 1.00 64.14 H new ATOM 0 HD13 LEU A 59 3.917 1.291 6.233 1.00 64.14 H new ATOM 0 HD21 LEU A 59 3.978 0.380 3.291 1.00 2.32 H new ATOM 0 HD22 LEU A 59 2.538 1.060 4.085 1.00 2.32 H new ATOM 0 HD23 LEU A 59 3.161 1.797 2.590 1.00 2.32 H new ATOM 959 N SER A 60 2.619 6.441 4.628 1.00 73.13 N ATOM 960 CA SER A 60 1.745 7.504 5.112 1.00 4.14 C ATOM 961 C SER A 60 1.157 8.297 3.949 1.00 3.01 C ATOM 962 O SER A 60 -0.018 8.664 3.966 1.00 60.33 O ATOM 963 CB SER A 60 2.516 8.440 6.045 1.00 1.51 C ATOM 964 OG SER A 60 2.888 7.777 7.241 1.00 33.02 O ATOM 0 H SER A 60 3.602 6.556 4.876 1.00 73.13 H new ATOM 0 HA SER A 60 0.926 7.044 5.665 1.00 4.14 H new ATOM 0 HB2 SER A 60 3.407 8.810 5.538 1.00 1.51 H new ATOM 0 HB3 SER A 60 1.901 9.308 6.283 1.00 1.51 H new ATOM 0 HG SER A 60 3.794 7.415 7.146 1.00 33.02 H new ATOM 970 N ARG A 61 1.984 8.558 2.942 1.00 30.24 N ATOM 971 CA ARG A 61 1.547 9.308 1.771 1.00 50.41 C ATOM 972 C ARG A 61 0.474 8.543 1.003 1.00 34.11 C ATOM 973 O ARG A 61 -0.587 9.084 0.694 1.00 53.11 O ATOM 974 CB ARG A 61 2.736 9.599 0.853 1.00 52.33 C ATOM 975 CG ARG A 61 2.534 10.814 -0.039 1.00 24.22 C ATOM 976 CD ARG A 61 3.366 11.995 0.435 1.00 44.42 C ATOM 977 NE ARG A 61 3.250 13.142 -0.463 1.00 30.44 N ATOM 978 CZ ARG A 61 3.910 14.281 -0.290 1.00 44.20 C ATOM 979 NH1 ARG A 61 4.731 14.425 0.741 1.00 23.32 N ATOM 980 NH2 ARG A 61 3.751 15.278 -1.150 1.00 2.41 N ATOM 0 H ARG A 61 2.960 8.261 2.914 1.00 30.24 H new ATOM 0 HA ARG A 61 1.121 10.251 2.114 1.00 50.41 H new ATOM 0 HB2 ARG A 61 3.627 9.751 1.463 1.00 52.33 H new ATOM 0 HB3 ARG A 61 2.923 8.726 0.227 1.00 52.33 H new ATOM 0 HG2 ARG A 61 2.806 10.564 -1.064 1.00 24.22 H new ATOM 0 HG3 ARG A 61 1.480 11.090 -0.047 1.00 24.22 H new ATOM 0 HD2 ARG A 61 3.047 12.285 1.436 1.00 44.42 H new ATOM 0 HD3 ARG A 61 4.412 11.696 0.508 1.00 44.42 H new ATOM 0 HE ARG A 61 2.628 13.063 -1.267 1.00 30.44 H new ATOM 0 HH11 ARG A 61 4.857 13.660 1.404 1.00 23.32 H new ATOM 0 HH12 ARG A 61 5.237 15.301 0.872 1.00 23.32 H new ATOM 0 HH21 ARG A 61 3.121 15.170 -1.945 1.00 2.41 H new ATOM 0 HH22 ARG A 61 4.258 16.153 -1.016 1.00 2.41 H new ATOM 994 N MET A 62 0.757 7.281 0.700 1.00 60.35 N ATOM 995 CA MET A 62 -0.185 6.440 -0.031 1.00 22.42 C ATOM 996 C MET A 62 -1.560 6.466 0.628 1.00 20.32 C ATOM 997 O MET A 62 -2.583 6.549 -0.052 1.00 60.01 O ATOM 998 CB MET A 62 0.332 5.002 -0.103 1.00 73.33 C ATOM 999 CG MET A 62 -0.471 4.114 -1.041 1.00 44.22 C ATOM 1000 SD MET A 62 0.106 2.406 -1.043 1.00 54.05 S ATOM 1001 CE MET A 62 -0.048 1.994 0.693 1.00 2.24 C ATOM 0 H MET A 62 1.631 6.817 0.949 1.00 60.35 H new ATOM 0 HA MET A 62 -0.278 6.836 -1.042 1.00 22.42 H new ATOM 0 HB2 MET A 62 1.372 5.014 -0.429 1.00 73.33 H new ATOM 0 HB3 MET A 62 0.316 4.568 0.897 1.00 73.33 H new ATOM 0 HG2 MET A 62 -1.521 4.139 -0.749 1.00 44.22 H new ATOM 0 HG3 MET A 62 -0.413 4.514 -2.053 1.00 44.22 H new ATOM 0 HE1 MET A 62 -0.273 0.932 0.796 1.00 2.24 H new ATOM 0 HE2 MET A 62 0.888 2.218 1.205 1.00 2.24 H new ATOM 0 HE3 MET A 62 -0.853 2.580 1.136 1.00 2.24 H new ATOM 1011 N ASN A 63 -1.578 6.395 1.955 1.00 32.23 N ATOM 1012 CA ASN A 63 -2.829 6.409 2.705 1.00 51.22 C ATOM 1013 C ASN A 63 -3.688 7.606 2.307 1.00 65.12 C ATOM 1014 O ASN A 63 -4.889 7.471 2.072 1.00 42.13 O ATOM 1015 CB ASN A 63 -2.546 6.447 4.208 1.00 44.34 C ATOM 1016 CG ASN A 63 -3.573 5.672 5.010 1.00 70.43 C ATOM 1017 OD1 ASN A 63 -4.573 5.201 4.467 1.00 40.12 O ATOM 1018 ND2 ASN A 63 -3.331 5.535 6.308 1.00 43.32 N ATOM 0 H ASN A 63 -0.741 6.327 2.533 1.00 32.23 H new ATOM 0 HA ASN A 63 -3.376 5.497 2.468 1.00 51.22 H new ATOM 0 HB2 ASN A 63 -1.555 6.036 4.399 1.00 44.34 H new ATOM 0 HB3 ASN A 63 -2.532 7.483 4.546 1.00 44.34 H new ATOM 0 HD21 ASN A 63 -3.987 5.023 6.898 1.00 43.32 H new ATOM 0 HD22 ASN A 63 -2.489 5.942 6.716 1.00 43.32 H new ATOM 1025 N LEU A 64 -3.064 8.776 2.233 1.00 4.21 N ATOM 1026 CA LEU A 64 -3.770 9.999 1.864 1.00 62.44 C ATOM 1027 C LEU A 64 -4.306 9.907 0.439 1.00 50.01 C ATOM 1028 O LEU A 64 -5.251 10.608 0.075 1.00 65.24 O ATOM 1029 CB LEU A 64 -2.841 11.207 1.994 1.00 24.31 C ATOM 1030 CG LEU A 64 -2.712 11.807 3.395 1.00 34.32 C ATOM 1031 CD1 LEU A 64 -1.945 10.865 4.310 1.00 24.41 C ATOM 1032 CD2 LEU A 64 -2.030 13.166 3.333 1.00 71.31 C ATOM 0 H LEU A 64 -2.070 8.904 2.424 1.00 4.21 H new ATOM 0 HA LEU A 64 -4.613 10.123 2.544 1.00 62.44 H new ATOM 0 HB2 LEU A 64 -1.848 10.915 1.653 1.00 24.31 H new ATOM 0 HB3 LEU A 64 -3.194 11.986 1.318 1.00 24.31 H new ATOM 0 HG LEU A 64 -3.713 11.944 3.804 1.00 34.32 H new ATOM 0 HD11 LEU A 64 -1.863 11.308 5.302 1.00 24.41 H new ATOM 0 HD12 LEU A 64 -2.474 9.915 4.380 1.00 24.41 H new ATOM 0 HD13 LEU A 64 -0.947 10.696 3.905 1.00 24.41 H new ATOM 0 HD21 LEU A 64 -1.947 13.578 4.339 1.00 71.31 H new ATOM 0 HD22 LEU A 64 -1.035 13.054 2.903 1.00 71.31 H new ATOM 0 HD23 LEU A 64 -2.619 13.841 2.712 1.00 71.31 H new ATOM 1044 N ASP A 65 -3.700 9.037 -0.362 1.00 4.43 N ATOM 1045 CA ASP A 65 -4.119 8.851 -1.746 1.00 42.11 C ATOM 1046 C ASP A 65 -5.259 7.841 -1.837 1.00 14.02 C ATOM 1047 O ASP A 65 -6.313 8.131 -2.403 1.00 34.12 O ATOM 1048 CB ASP A 65 -2.940 8.385 -2.600 1.00 63.40 C ATOM 1049 CG ASP A 65 -2.964 8.980 -3.994 1.00 42.24 C ATOM 1050 OD1 ASP A 65 -3.975 8.795 -4.701 1.00 34.10 O ATOM 1051 OD2 ASP A 65 -1.970 9.633 -4.378 1.00 31.24 O ATOM 0 H ASP A 65 -2.917 8.449 -0.076 1.00 4.43 H new ATOM 0 HA ASP A 65 -4.475 9.809 -2.124 1.00 42.11 H new ATOM 0 HB2 ASP A 65 -2.007 8.659 -2.107 1.00 63.40 H new ATOM 0 HB3 ASP A 65 -2.955 7.297 -2.672 1.00 63.40 H new ATOM 1056 N ILE A 66 -5.039 6.656 -1.278 1.00 61.10 N ATOM 1057 CA ILE A 66 -6.048 5.604 -1.297 1.00 25.02 C ATOM 1058 C ILE A 66 -7.330 6.059 -0.607 1.00 52.32 C ATOM 1059 O ILE A 66 -8.419 5.962 -1.172 1.00 62.23 O ATOM 1060 CB ILE A 66 -5.538 4.323 -0.613 1.00 25.35 C ATOM 1061 CG1 ILE A 66 -4.207 3.885 -1.228 1.00 34.22 C ATOM 1062 CG2 ILE A 66 -6.572 3.212 -0.728 1.00 5.12 C ATOM 1063 CD1 ILE A 66 -3.633 2.634 -0.599 1.00 63.00 C ATOM 0 H ILE A 66 -4.171 6.400 -0.806 1.00 61.10 H new ATOM 0 HA ILE A 66 -6.259 5.388 -2.344 1.00 25.02 H new ATOM 0 HB ILE A 66 -5.376 4.534 0.444 1.00 25.35 H new ATOM 0 HG12 ILE A 66 -4.348 3.713 -2.295 1.00 34.22 H new ATOM 0 HG13 ILE A 66 -3.486 4.696 -1.128 1.00 34.22 H new ATOM 0 HG21 ILE A 66 -6.196 2.313 -0.239 1.00 5.12 H new ATOM 0 HG22 ILE A 66 -7.498 3.526 -0.247 1.00 5.12 H new ATOM 0 HG23 ILE A 66 -6.763 3.000 -1.780 1.00 5.12 H new ATOM 0 HD11 ILE A 66 -2.690 2.383 -1.084 1.00 63.00 H new ATOM 0 HD12 ILE A 66 -3.460 2.807 0.463 1.00 63.00 H new ATOM 0 HD13 ILE A 66 -4.335 1.810 -0.722 1.00 63.00 H new ATOM 1075 N SER A 67 -7.191 6.558 0.616 1.00 13.24 N ATOM 1076 CA SER A 67 -8.339 7.027 1.385 1.00 1.32 C ATOM 1077 C SER A 67 -9.128 8.072 0.600 1.00 21.42 C ATOM 1078 O SER A 67 -10.350 8.162 0.719 1.00 52.23 O ATOM 1079 CB SER A 67 -7.879 7.616 2.720 1.00 61.12 C ATOM 1080 OG SER A 67 -7.556 6.592 3.644 1.00 14.34 O ATOM 0 H SER A 67 -6.296 6.648 1.096 1.00 13.24 H new ATOM 0 HA SER A 67 -8.990 6.174 1.577 1.00 1.32 H new ATOM 0 HB2 SER A 67 -7.009 8.253 2.560 1.00 61.12 H new ATOM 0 HB3 SER A 67 -8.665 8.248 3.133 1.00 61.12 H new ATOM 0 HG SER A 67 -7.263 6.994 4.489 1.00 14.34 H new ATOM 1086 N LYS A 68 -8.419 8.860 -0.201 1.00 12.13 N ATOM 1087 CA LYS A 68 -9.050 9.898 -1.008 1.00 22.45 C ATOM 1088 C LYS A 68 -9.877 9.285 -2.133 1.00 44.03 C ATOM 1089 O LYS A 68 -10.999 9.715 -2.397 1.00 54.20 O ATOM 1090 CB LYS A 68 -7.990 10.835 -1.591 1.00 61.41 C ATOM 1091 CG LYS A 68 -7.918 12.182 -0.892 1.00 21.10 C ATOM 1092 CD LYS A 68 -6.798 13.042 -1.454 1.00 2.22 C ATOM 1093 CE LYS A 68 -6.437 14.175 -0.506 1.00 1.13 C ATOM 1094 NZ LYS A 68 -5.747 13.678 0.716 1.00 23.43 N ATOM 0 H LYS A 68 -7.407 8.800 -0.309 1.00 12.13 H new ATOM 0 HA LYS A 68 -9.716 10.471 -0.362 1.00 22.45 H new ATOM 0 HB2 LYS A 68 -7.016 10.351 -1.529 1.00 61.41 H new ATOM 0 HB3 LYS A 68 -8.200 10.995 -2.649 1.00 61.41 H new ATOM 0 HG2 LYS A 68 -8.869 12.703 -1.004 1.00 21.10 H new ATOM 0 HG3 LYS A 68 -7.761 12.031 0.176 1.00 21.10 H new ATOM 0 HD2 LYS A 68 -5.919 12.424 -1.635 1.00 2.22 H new ATOM 0 HD3 LYS A 68 -7.102 13.454 -2.416 1.00 2.22 H new ATOM 0 HE2 LYS A 68 -5.794 14.888 -1.021 1.00 1.13 H new ATOM 0 HE3 LYS A 68 -7.342 14.711 -0.219 1.00 1.13 H new ATOM 0 HZ1 LYS A 68 -6.364 13.814 1.542 1.00 23.43 H new ATOM 0 HZ2 LYS A 68 -5.533 12.666 0.607 1.00 23.43 H new ATOM 0 HZ3 LYS A 68 -4.862 14.206 0.854 1.00 23.43 H new ATOM 1108 N ALA A 69 -9.315 8.278 -2.793 1.00 45.15 N ATOM 1109 CA ALA A 69 -10.002 7.604 -3.888 1.00 43.32 C ATOM 1110 C ALA A 69 -11.341 7.036 -3.429 1.00 60.31 C ATOM 1111 O ALA A 69 -12.224 6.770 -4.244 1.00 71.41 O ATOM 1112 CB ALA A 69 -9.126 6.500 -4.461 1.00 11.02 C ATOM 0 H ALA A 69 -8.386 7.911 -2.589 1.00 45.15 H new ATOM 0 HA ALA A 69 -10.198 8.339 -4.669 1.00 43.32 H new ATOM 0 HB1 ALA A 69 -9.652 6.005 -5.278 1.00 11.02 H new ATOM 0 HB2 ALA A 69 -8.197 6.930 -4.835 1.00 11.02 H new ATOM 0 HB3 ALA A 69 -8.901 5.773 -3.681 1.00 11.02 H new ATOM 1118 N ILE A 70 -11.483 6.851 -2.121 1.00 43.43 N ATOM 1119 CA ILE A 70 -12.714 6.316 -1.555 1.00 30.53 C ATOM 1120 C ILE A 70 -13.859 7.315 -1.681 1.00 41.44 C ATOM 1121 O ILE A 70 -14.799 7.103 -2.447 1.00 45.04 O ATOM 1122 CB ILE A 70 -12.536 5.942 -0.072 1.00 60.42 C ATOM 1123 CG1 ILE A 70 -11.208 5.209 0.136 1.00 40.13 C ATOM 1124 CG2 ILE A 70 -13.700 5.084 0.402 1.00 5.05 C ATOM 1125 CD1 ILE A 70 -11.048 4.630 1.524 1.00 12.22 C ATOM 0 H ILE A 70 -10.760 7.064 -1.433 1.00 43.43 H new ATOM 0 HA ILE A 70 -12.956 5.417 -2.122 1.00 30.53 H new ATOM 0 HB ILE A 70 -12.521 6.858 0.519 1.00 60.42 H new ATOM 0 HG12 ILE A 70 -11.128 4.405 -0.596 1.00 40.13 H new ATOM 0 HG13 ILE A 70 -10.387 5.899 -0.058 1.00 40.13 H new ATOM 0 HG21 ILE A 70 -13.559 4.828 1.452 1.00 5.05 H new ATOM 0 HG22 ILE A 70 -14.632 5.638 0.285 1.00 5.05 H new ATOM 0 HG23 ILE A 70 -13.744 4.171 -0.191 1.00 5.05 H new ATOM 0 HD11 ILE A 70 -10.085 4.126 1.599 1.00 12.22 H new ATOM 0 HD12 ILE A 70 -11.096 5.432 2.261 1.00 12.22 H new ATOM 0 HD13 ILE A 70 -11.848 3.914 1.714 1.00 12.22 H new ATOM 1137 N ARG A 71 -13.771 8.405 -0.926 1.00 52.14 N ATOM 1138 CA ARG A 71 -14.799 9.438 -0.955 1.00 44.41 C ATOM 1139 C ARG A 71 -14.956 10.011 -2.361 1.00 22.22 C ATOM 1140 O ARG A 71 -16.070 10.147 -2.865 1.00 71.53 O ATOM 1141 CB ARG A 71 -14.454 10.559 0.028 1.00 64.01 C ATOM 1142 CG ARG A 71 -13.066 11.145 -0.180 1.00 33.22 C ATOM 1143 CD ARG A 71 -12.574 11.868 1.064 1.00 14.21 C ATOM 1144 NE ARG A 71 -11.548 11.106 1.770 1.00 0.52 N ATOM 1145 CZ ARG A 71 -11.106 11.418 2.983 1.00 22.42 C ATOM 1146 NH1 ARG A 71 -11.598 12.470 3.622 1.00 34.51 N ATOM 1147 NH2 ARG A 71 -10.169 10.676 3.560 1.00 43.10 N ATOM 0 H ARG A 71 -12.999 8.595 -0.287 1.00 52.14 H new ATOM 0 HA ARG A 71 -15.744 8.982 -0.659 1.00 44.41 H new ATOM 0 HB2 ARG A 71 -15.193 11.354 -0.067 1.00 64.01 H new ATOM 0 HB3 ARG A 71 -14.528 10.175 1.045 1.00 64.01 H new ATOM 0 HG2 ARG A 71 -12.369 10.348 -0.439 1.00 33.22 H new ATOM 0 HG3 ARG A 71 -13.085 11.838 -1.021 1.00 33.22 H new ATOM 0 HD2 ARG A 71 -12.173 12.842 0.783 1.00 14.21 H new ATOM 0 HD3 ARG A 71 -13.415 12.051 1.733 1.00 14.21 H new ATOM 0 HE ARG A 71 -11.149 10.290 1.306 1.00 0.52 H new ATOM 0 HH11 ARG A 71 -12.318 13.043 3.182 1.00 34.51 H new ATOM 0 HH12 ARG A 71 -11.256 12.707 4.553 1.00 34.51 H new ATOM 0 HH21 ARG A 71 -9.788 9.866 3.072 1.00 43.10 H new ATOM 0 HH22 ARG A 71 -9.830 10.916 4.492 1.00 43.10 H new ATOM 1161 N ASN A 72 -13.832 10.346 -2.986 1.00 73.53 N ATOM 1162 CA ASN A 72 -13.845 10.904 -4.333 1.00 43.31 C ATOM 1163 C ASN A 72 -14.605 9.994 -5.293 1.00 60.14 C ATOM 1164 O ASN A 72 -15.736 10.287 -5.679 1.00 33.22 O ATOM 1165 CB ASN A 72 -12.415 11.113 -4.835 1.00 43.24 C ATOM 1166 CG ASN A 72 -11.850 12.461 -4.428 1.00 0.34 C ATOM 1167 OD1 ASN A 72 -11.726 13.369 -5.250 1.00 31.31 O ATOM 1168 ND2 ASN A 72 -11.505 12.596 -3.153 1.00 30.31 N ATOM 0 H ASN A 72 -12.902 10.241 -2.582 1.00 73.53 H new ATOM 0 HA ASN A 72 -14.354 11.867 -4.295 1.00 43.31 H new ATOM 0 HB2 ASN A 72 -11.776 10.321 -4.444 1.00 43.24 H new ATOM 0 HB3 ASN A 72 -12.398 11.028 -5.922 1.00 43.24 H new ATOM 0 HD21 ASN A 72 -11.120 13.480 -2.820 1.00 30.31 H new ATOM 0 HD22 ASN A 72 -11.625 11.816 -2.507 1.00 30.31 H new ATOM 1175 N ASP A 73 -13.974 8.889 -5.675 1.00 32.35 N ATOM 1176 CA ASP A 73 -14.590 7.933 -6.588 1.00 52.14 C ATOM 1177 C ASP A 73 -15.979 7.532 -6.100 1.00 24.22 C ATOM 1178 O ASP A 73 -16.966 7.672 -6.820 1.00 12.43 O ATOM 1179 CB ASP A 73 -13.708 6.691 -6.733 1.00 12.14 C ATOM 1180 CG ASP A 73 -13.941 5.966 -8.043 1.00 50.43 C ATOM 1181 OD1 ASP A 73 -13.350 6.380 -9.063 1.00 23.30 O ATOM 1182 OD2 ASP A 73 -14.714 4.986 -8.051 1.00 21.41 O ATOM 0 H ASP A 73 -13.036 8.633 -5.367 1.00 32.35 H new ATOM 0 HA ASP A 73 -14.691 8.412 -7.562 1.00 52.14 H new ATOM 0 HB2 ASP A 73 -12.660 6.983 -6.664 1.00 12.14 H new ATOM 0 HB3 ASP A 73 -13.905 6.011 -5.904 1.00 12.14 H new ATOM 1187 N GLY A 74 -16.047 7.030 -4.870 1.00 3.35 N ATOM 1188 CA GLY A 74 -17.318 6.616 -4.306 1.00 40.35 C ATOM 1189 C GLY A 74 -17.349 5.138 -3.970 1.00 60.22 C ATOM 1190 O GLY A 74 -18.420 4.552 -3.812 1.00 45.23 O ATOM 0 H GLY A 74 -15.244 6.903 -4.254 1.00 3.35 H new ATOM 0 HA2 GLY A 74 -17.518 7.195 -3.404 1.00 40.35 H new ATOM 0 HA3 GLY A 74 -18.116 6.842 -5.013 1.00 40.35 H new ATOM 1194 N VAL A 75 -16.170 4.533 -3.862 1.00 1.34 N ATOM 1195 CA VAL A 75 -16.066 3.114 -3.542 1.00 1.31 C ATOM 1196 C VAL A 75 -16.055 2.889 -2.035 1.00 5.43 C ATOM 1197 O VAL A 75 -16.216 3.828 -1.253 1.00 54.23 O ATOM 1198 CB VAL A 75 -14.795 2.494 -4.152 1.00 61.24 C ATOM 1199 CG1 VAL A 75 -14.796 2.652 -5.665 1.00 61.32 C ATOM 1200 CG2 VAL A 75 -13.550 3.123 -3.543 1.00 54.23 C ATOM 0 H VAL A 75 -15.274 5.003 -3.991 1.00 1.34 H new ATOM 0 HA VAL A 75 -16.942 2.628 -3.972 1.00 1.31 H new ATOM 0 HB VAL A 75 -14.786 1.429 -3.922 1.00 61.24 H new ATOM 0 HG11 VAL A 75 -13.890 2.208 -6.078 1.00 61.32 H new ATOM 0 HG12 VAL A 75 -15.669 2.150 -6.083 1.00 61.32 H new ATOM 0 HG13 VAL A 75 -14.830 3.711 -5.920 1.00 61.32 H new ATOM 0 HG21 VAL A 75 -12.661 2.673 -3.986 1.00 54.23 H new ATOM 0 HG22 VAL A 75 -13.550 4.195 -3.740 1.00 54.23 H new ATOM 0 HG23 VAL A 75 -13.545 2.952 -2.466 1.00 54.23 H new ATOM 1210 N THR A 76 -15.863 1.638 -1.629 1.00 10.10 N ATOM 1211 CA THR A 76 -15.832 1.289 -0.214 1.00 52.24 C ATOM 1212 C THR A 76 -14.848 0.155 0.050 1.00 75.31 C ATOM 1213 O THR A 76 -14.813 -0.834 -0.684 1.00 44.13 O ATOM 1214 CB THR A 76 -17.226 0.873 0.292 1.00 4.41 C ATOM 1215 OG1 THR A 76 -18.241 1.550 -0.456 1.00 73.12 O ATOM 1216 CG2 THR A 76 -17.381 1.193 1.771 1.00 43.52 C ATOM 0 H THR A 76 -15.727 0.849 -2.261 1.00 10.10 H new ATOM 0 HA THR A 76 -15.509 2.180 0.325 1.00 52.24 H new ATOM 0 HB THR A 76 -17.332 -0.203 0.155 1.00 4.41 H new ATOM 0 HG1 THR A 76 -19.124 1.279 -0.129 1.00 73.12 H new ATOM 0 HG21 THR A 76 -18.373 0.891 2.107 1.00 43.52 H new ATOM 0 HG22 THR A 76 -16.625 0.653 2.341 1.00 43.52 H new ATOM 0 HG23 THR A 76 -17.256 2.265 1.926 1.00 43.52 H new ATOM 1224 N LEU A 77 -14.052 0.302 1.102 1.00 23.04 N ATOM 1225 CA LEU A 77 -13.067 -0.711 1.465 1.00 33.10 C ATOM 1226 C LEU A 77 -13.732 -1.890 2.170 1.00 45.30 C ATOM 1227 O LEU A 77 -14.534 -1.705 3.086 1.00 45.34 O ATOM 1228 CB LEU A 77 -11.990 -0.105 2.366 1.00 31.20 C ATOM 1229 CG LEU A 77 -11.470 1.274 1.957 1.00 14.21 C ATOM 1230 CD1 LEU A 77 -10.589 1.858 3.049 1.00 24.02 C ATOM 1231 CD2 LEU A 77 -10.709 1.189 0.642 1.00 51.11 C ATOM 0 H LEU A 77 -14.069 1.114 1.720 1.00 23.04 H new ATOM 0 HA LEU A 77 -12.602 -1.074 0.548 1.00 33.10 H new ATOM 0 HB2 LEU A 77 -12.388 -0.035 3.378 1.00 31.20 H new ATOM 0 HB3 LEU A 77 -11.146 -0.793 2.402 1.00 31.20 H new ATOM 0 HG LEU A 77 -12.324 1.936 1.816 1.00 14.21 H new ATOM 0 HD11 LEU A 77 -10.229 2.839 2.740 1.00 24.02 H new ATOM 0 HD12 LEU A 77 -11.166 1.957 3.968 1.00 24.02 H new ATOM 0 HD13 LEU A 77 -9.739 1.198 3.223 1.00 24.02 H new ATOM 0 HD21 LEU A 77 -10.346 2.179 0.367 1.00 51.11 H new ATOM 0 HD22 LEU A 77 -9.863 0.511 0.754 1.00 51.11 H new ATOM 0 HD23 LEU A 77 -11.372 0.815 -0.138 1.00 51.11 H new ATOM 1243 N SER A 78 -13.392 -3.100 1.738 1.00 11.33 N ATOM 1244 CA SER A 78 -13.957 -4.308 2.328 1.00 42.43 C ATOM 1245 C SER A 78 -13.340 -4.586 3.695 1.00 13.22 C ATOM 1246 O SER A 78 -12.431 -3.880 4.133 1.00 2.13 O ATOM 1247 CB SER A 78 -13.733 -5.505 1.402 1.00 63.14 C ATOM 1248 OG SER A 78 -14.747 -5.583 0.415 1.00 61.22 O ATOM 0 H SER A 78 -12.729 -3.270 0.982 1.00 11.33 H new ATOM 0 HA SER A 78 -15.028 -4.152 2.458 1.00 42.43 H new ATOM 0 HB2 SER A 78 -12.759 -5.419 0.921 1.00 63.14 H new ATOM 0 HB3 SER A 78 -13.720 -6.424 1.988 1.00 63.14 H new ATOM 0 HG SER A 78 -14.580 -6.355 -0.165 1.00 61.22 H new ATOM 1254 N ASP A 79 -13.841 -5.618 4.364 1.00 72.50 N ATOM 1255 CA ASP A 79 -13.340 -5.992 5.682 1.00 42.30 C ATOM 1256 C ASP A 79 -11.822 -6.145 5.662 1.00 4.13 C ATOM 1257 O ASP A 79 -11.100 -5.356 6.272 1.00 1.03 O ATOM 1258 CB ASP A 79 -13.990 -7.295 6.148 1.00 10.02 C ATOM 1259 CG ASP A 79 -13.860 -7.504 7.644 1.00 50.40 C ATOM 1260 OD1 ASP A 79 -14.499 -6.748 8.406 1.00 21.31 O ATOM 1261 OD2 ASP A 79 -13.119 -8.421 8.053 1.00 64.12 O ATOM 0 H ASP A 79 -14.594 -6.211 4.016 1.00 72.50 H new ATOM 0 HA ASP A 79 -13.599 -5.197 6.381 1.00 42.30 H new ATOM 0 HB2 ASP A 79 -15.045 -7.289 5.875 1.00 10.02 H new ATOM 0 HB3 ASP A 79 -13.530 -8.134 5.626 1.00 10.02 H new ATOM 1266 N TYR A 80 -11.345 -7.166 4.959 1.00 52.40 N ATOM 1267 CA TYR A 80 -9.913 -7.424 4.863 1.00 73.42 C ATOM 1268 C TYR A 80 -9.161 -6.170 4.430 1.00 63.31 C ATOM 1269 O TYR A 80 -8.041 -5.921 4.877 1.00 54.05 O ATOM 1270 CB TYR A 80 -9.645 -8.561 3.873 1.00 3.43 C ATOM 1271 CG TYR A 80 -10.087 -8.252 2.462 1.00 44.44 C ATOM 1272 CD1 TYR A 80 -11.417 -8.383 2.085 1.00 54.03 C ATOM 1273 CD2 TYR A 80 -9.174 -7.829 1.503 1.00 12.50 C ATOM 1274 CE1 TYR A 80 -11.826 -8.101 0.796 1.00 72.45 C ATOM 1275 CE2 TYR A 80 -9.573 -7.544 0.212 1.00 10.34 C ATOM 1276 CZ TYR A 80 -10.901 -7.682 -0.137 1.00 25.11 C ATOM 1277 OH TYR A 80 -11.303 -7.402 -1.423 1.00 41.32 O ATOM 0 H TYR A 80 -11.928 -7.828 4.448 1.00 52.40 H new ATOM 0 HA TYR A 80 -9.555 -7.717 5.850 1.00 73.42 H new ATOM 0 HB2 TYR A 80 -8.578 -8.785 3.870 1.00 3.43 H new ATOM 0 HB3 TYR A 80 -10.158 -9.459 4.217 1.00 3.43 H new ATOM 0 HD1 TYR A 80 -12.145 -8.711 2.812 1.00 54.03 H new ATOM 0 HD2 TYR A 80 -8.134 -7.721 1.772 1.00 12.50 H new ATOM 0 HE1 TYR A 80 -12.865 -8.208 0.520 1.00 72.45 H new ATOM 0 HE2 TYR A 80 -8.850 -7.215 -0.520 1.00 10.34 H new ATOM 0 HH TYR A 80 -10.529 -7.119 -1.953 1.00 41.32 H new ATOM 1287 N GLN A 81 -9.785 -5.385 3.559 1.00 43.24 N ATOM 1288 CA GLN A 81 -9.174 -4.156 3.066 1.00 61.12 C ATOM 1289 C GLN A 81 -8.899 -3.186 4.210 1.00 31.31 C ATOM 1290 O GLN A 81 -7.747 -2.915 4.544 1.00 44.52 O ATOM 1291 CB GLN A 81 -10.080 -3.493 2.026 1.00 4.14 C ATOM 1292 CG GLN A 81 -9.824 -3.967 0.605 1.00 23.41 C ATOM 1293 CD GLN A 81 -8.799 -3.117 -0.119 1.00 74.05 C ATOM 1294 OE1 GLN A 81 -8.289 -2.139 0.428 1.00 4.24 O ATOM 1295 NE2 GLN A 81 -8.492 -3.485 -1.358 1.00 24.13 N ATOM 0 H GLN A 81 -10.712 -5.577 3.180 1.00 43.24 H new ATOM 0 HA GLN A 81 -8.224 -4.415 2.599 1.00 61.12 H new ATOM 0 HB2 GLN A 81 -11.120 -3.691 2.284 1.00 4.14 H new ATOM 0 HB3 GLN A 81 -9.940 -2.413 2.070 1.00 4.14 H new ATOM 0 HG2 GLN A 81 -9.481 -5.002 0.628 1.00 23.41 H new ATOM 0 HG3 GLN A 81 -10.761 -3.953 0.047 1.00 23.41 H new ATOM 0 HE21 GLN A 81 -8.939 -4.303 -1.773 1.00 24.13 H new ATOM 0 HE22 GLN A 81 -7.809 -2.950 -1.895 1.00 24.13 H new ATOM 1304 N SER A 82 -9.967 -2.668 4.809 1.00 61.42 N ATOM 1305 CA SER A 82 -9.841 -1.726 5.915 1.00 41.22 C ATOM 1306 C SER A 82 -8.911 -2.274 6.992 1.00 3.15 C ATOM 1307 O SER A 82 -8.170 -1.525 7.629 1.00 24.33 O ATOM 1308 CB SER A 82 -11.216 -1.425 6.515 1.00 1.13 C ATOM 1309 OG SER A 82 -11.116 -0.484 7.571 1.00 73.51 O ATOM 0 H SER A 82 -10.929 -2.885 4.547 1.00 61.42 H new ATOM 0 HA SER A 82 -9.412 -0.802 5.527 1.00 41.22 H new ATOM 0 HB2 SER A 82 -11.878 -1.038 5.740 1.00 1.13 H new ATOM 0 HB3 SER A 82 -11.664 -2.347 6.886 1.00 1.13 H new ATOM 0 HG SER A 82 -12.008 -0.307 7.937 1.00 73.51 H new ATOM 1315 N LYS A 83 -8.957 -3.586 7.193 1.00 60.53 N ATOM 1316 CA LYS A 83 -8.118 -4.238 8.192 1.00 53.01 C ATOM 1317 C LYS A 83 -6.644 -4.134 7.816 1.00 21.25 C ATOM 1318 O LYS A 83 -5.818 -3.693 8.617 1.00 12.22 O ATOM 1319 CB LYS A 83 -8.516 -5.709 8.340 1.00 4.45 C ATOM 1320 CG LYS A 83 -9.634 -5.938 9.341 1.00 15.11 C ATOM 1321 CD LYS A 83 -9.874 -7.420 9.579 1.00 32.15 C ATOM 1322 CE LYS A 83 -10.749 -7.654 10.801 1.00 1.45 C ATOM 1323 NZ LYS A 83 -10.009 -7.399 12.069 1.00 30.05 N ATOM 0 H LYS A 83 -9.567 -4.220 6.677 1.00 60.53 H new ATOM 0 HA LYS A 83 -8.268 -3.730 9.145 1.00 53.01 H new ATOM 0 HB2 LYS A 83 -8.826 -6.093 7.368 1.00 4.45 H new ATOM 0 HB3 LYS A 83 -7.642 -6.284 8.646 1.00 4.45 H new ATOM 0 HG2 LYS A 83 -9.384 -5.453 10.284 1.00 15.11 H new ATOM 0 HG3 LYS A 83 -10.551 -5.474 8.977 1.00 15.11 H new ATOM 0 HD2 LYS A 83 -10.349 -7.858 8.701 1.00 32.15 H new ATOM 0 HD3 LYS A 83 -8.919 -7.928 9.712 1.00 32.15 H new ATOM 0 HE2 LYS A 83 -11.622 -7.003 10.753 1.00 1.45 H new ATOM 0 HE3 LYS A 83 -11.116 -8.680 10.794 1.00 1.45 H new ATOM 0 HZ1 LYS A 83 -10.555 -7.774 12.871 1.00 30.05 H new ATOM 0 HZ2 LYS A 83 -9.082 -7.869 12.031 1.00 30.05 H new ATOM 0 HZ3 LYS A 83 -9.873 -6.375 12.192 1.00 30.05 H new ATOM 1337 N LYS A 84 -6.319 -4.541 6.594 1.00 32.51 N ATOM 1338 CA LYS A 84 -4.944 -4.492 6.111 1.00 71.24 C ATOM 1339 C LYS A 84 -4.413 -3.063 6.128 1.00 4.14 C ATOM 1340 O LYS A 84 -3.201 -2.840 6.111 1.00 62.14 O ATOM 1341 CB LYS A 84 -4.860 -5.062 4.693 1.00 71.02 C ATOM 1342 CG LYS A 84 -4.996 -4.010 3.605 1.00 5.04 C ATOM 1343 CD LYS A 84 -3.638 -3.502 3.149 1.00 20.24 C ATOM 1344 CE LYS A 84 -3.728 -2.085 2.605 1.00 4.14 C ATOM 1345 NZ LYS A 84 -2.791 -1.866 1.468 1.00 60.12 N ATOM 0 H LYS A 84 -6.990 -4.909 5.919 1.00 32.51 H new ATOM 0 HA LYS A 84 -4.329 -5.098 6.777 1.00 71.24 H new ATOM 0 HB2 LYS A 84 -3.906 -5.576 4.573 1.00 71.02 H new ATOM 0 HB3 LYS A 84 -5.643 -5.809 4.564 1.00 71.02 H new ATOM 0 HG2 LYS A 84 -5.532 -4.432 2.755 1.00 5.04 H new ATOM 0 HG3 LYS A 84 -5.592 -3.176 3.976 1.00 5.04 H new ATOM 0 HD2 LYS A 84 -2.939 -3.528 3.985 1.00 20.24 H new ATOM 0 HD3 LYS A 84 -3.240 -4.164 2.380 1.00 20.24 H new ATOM 0 HE2 LYS A 84 -4.749 -1.886 2.278 1.00 4.14 H new ATOM 0 HE3 LYS A 84 -3.504 -1.375 3.402 1.00 4.14 H new ATOM 0 HZ1 LYS A 84 -3.130 -1.073 0.886 1.00 60.12 H new ATOM 0 HZ2 LYS A 84 -1.844 -1.645 1.836 1.00 60.12 H new ATOM 0 HZ3 LYS A 84 -2.744 -2.727 0.886 1.00 60.12 H new ATOM 1359 N LEU A 85 -5.324 -2.097 6.165 1.00 60.42 N ATOM 1360 CA LEU A 85 -4.947 -0.688 6.186 1.00 24.55 C ATOM 1361 C LEU A 85 -4.254 -0.330 7.497 1.00 70.53 C ATOM 1362 O LEU A 85 -3.321 0.472 7.520 1.00 51.12 O ATOM 1363 CB LEU A 85 -6.181 0.194 5.991 1.00 32.42 C ATOM 1364 CG LEU A 85 -5.957 1.504 5.237 1.00 70.44 C ATOM 1365 CD1 LEU A 85 -4.916 2.357 5.945 1.00 51.12 C ATOM 1366 CD2 LEU A 85 -5.536 1.226 3.801 1.00 4.31 C ATOM 0 H LEU A 85 -6.330 -2.264 6.181 1.00 60.42 H new ATOM 0 HA LEU A 85 -4.250 -0.512 5.367 1.00 24.55 H new ATOM 0 HB2 LEU A 85 -6.936 -0.384 5.458 1.00 32.42 H new ATOM 0 HB3 LEU A 85 -6.594 0.429 6.972 1.00 32.42 H new ATOM 0 HG LEU A 85 -6.896 2.056 5.219 1.00 70.44 H new ATOM 0 HD11 LEU A 85 -4.770 3.286 5.393 1.00 51.12 H new ATOM 0 HD12 LEU A 85 -5.258 2.585 6.955 1.00 51.12 H new ATOM 0 HD13 LEU A 85 -3.973 1.813 5.995 1.00 51.12 H new ATOM 0 HD21 LEU A 85 -5.381 2.170 3.278 1.00 4.31 H new ATOM 0 HD22 LEU A 85 -4.609 0.653 3.798 1.00 4.31 H new ATOM 0 HD23 LEU A 85 -6.317 0.656 3.297 1.00 4.31 H new ATOM 1378 N LYS A 86 -4.714 -0.933 8.588 1.00 31.14 N ATOM 1379 CA LYS A 86 -4.137 -0.682 9.903 1.00 14.22 C ATOM 1380 C LYS A 86 -2.751 -1.307 10.018 1.00 4.40 C ATOM 1381 O LYS A 86 -2.036 -1.078 10.993 1.00 42.21 O ATOM 1382 CB LYS A 86 -5.051 -1.238 10.998 1.00 24.34 C ATOM 1383 CG LYS A 86 -4.932 -2.741 11.184 1.00 25.11 C ATOM 1384 CD LYS A 86 -4.191 -3.087 12.465 1.00 41.51 C ATOM 1385 CE LYS A 86 -4.754 -4.342 13.113 1.00 74.43 C ATOM 1386 NZ LYS A 86 -4.179 -4.573 14.467 1.00 11.23 N ATOM 0 H LYS A 86 -5.486 -1.600 8.587 1.00 31.14 H new ATOM 0 HA LYS A 86 -4.041 0.396 10.030 1.00 14.22 H new ATOM 0 HB2 LYS A 86 -4.817 -0.744 11.941 1.00 24.34 H new ATOM 0 HB3 LYS A 86 -6.085 -0.991 10.757 1.00 24.34 H new ATOM 0 HG2 LYS A 86 -5.927 -3.186 11.207 1.00 25.11 H new ATOM 0 HG3 LYS A 86 -4.409 -3.174 10.331 1.00 25.11 H new ATOM 0 HD2 LYS A 86 -3.133 -3.232 12.247 1.00 41.51 H new ATOM 0 HD3 LYS A 86 -4.261 -2.253 13.163 1.00 41.51 H new ATOM 0 HE2 LYS A 86 -5.838 -4.257 13.189 1.00 74.43 H new ATOM 0 HE3 LYS A 86 -4.546 -5.203 12.478 1.00 74.43 H new ATOM 0 HZ1 LYS A 86 -4.588 -5.438 14.875 1.00 11.23 H new ATOM 0 HZ2 LYS A 86 -3.147 -4.680 14.392 1.00 11.23 H new ATOM 0 HZ3 LYS A 86 -4.400 -3.763 15.081 1.00 11.23 H new ATOM 1400 N GLU A 87 -2.378 -2.096 9.015 1.00 43.52 N ATOM 1401 CA GLU A 87 -1.075 -2.751 9.004 1.00 32.22 C ATOM 1402 C GLU A 87 0.051 -1.726 9.078 1.00 43.44 C ATOM 1403 O GLU A 87 0.644 -1.512 10.137 1.00 72.03 O ATOM 1404 CB GLU A 87 -0.921 -3.606 7.744 1.00 63.04 C ATOM 1405 CG GLU A 87 -1.850 -4.806 7.705 1.00 23.50 C ATOM 1406 CD GLU A 87 -1.310 -5.988 8.486 1.00 24.53 C ATOM 1407 OE1 GLU A 87 -0.117 -6.318 8.313 1.00 33.34 O ATOM 1408 OE2 GLU A 87 -2.078 -6.584 9.271 1.00 52.45 O ATOM 0 H GLU A 87 -2.959 -2.297 8.201 1.00 43.52 H new ATOM 0 HA GLU A 87 -1.013 -3.395 9.881 1.00 32.22 H new ATOM 0 HB2 GLU A 87 -1.108 -2.984 6.868 1.00 63.04 H new ATOM 0 HB3 GLU A 87 0.110 -3.953 7.675 1.00 63.04 H new ATOM 0 HG2 GLU A 87 -2.822 -4.522 8.109 1.00 23.50 H new ATOM 0 HG3 GLU A 87 -2.010 -5.103 6.669 1.00 23.50 H new ATOM 1415 N LEU A 88 0.343 -1.093 7.947 1.00 63.42 N ATOM 1416 CA LEU A 88 1.399 -0.089 7.881 1.00 63.40 C ATOM 1417 C LEU A 88 1.055 1.122 8.742 1.00 20.33 C ATOM 1418 O LEU A 88 1.885 2.006 8.951 1.00 41.52 O ATOM 1419 CB LEU A 88 1.626 0.348 6.433 1.00 54.22 C ATOM 1420 CG LEU A 88 0.367 0.546 5.587 1.00 73.20 C ATOM 1421 CD1 LEU A 88 -0.090 -0.778 4.995 1.00 72.13 C ATOM 1422 CD2 LEU A 88 -0.742 1.171 6.420 1.00 12.53 C ATOM 0 H LEU A 88 -0.137 -1.258 7.062 1.00 63.42 H new ATOM 0 HA LEU A 88 2.315 -0.537 8.266 1.00 63.40 H new ATOM 0 HB2 LEU A 88 2.186 1.283 6.440 1.00 54.22 H new ATOM 0 HB3 LEU A 88 2.255 -0.396 5.944 1.00 54.22 H new ATOM 0 HG LEU A 88 0.605 1.225 4.768 1.00 73.20 H new ATOM 0 HD11 LEU A 88 -0.987 -0.619 4.396 1.00 72.13 H new ATOM 0 HD12 LEU A 88 0.700 -1.186 4.364 1.00 72.13 H new ATOM 0 HD13 LEU A 88 -0.311 -1.479 5.800 1.00 72.13 H new ATOM 0 HD21 LEU A 88 -1.630 1.305 5.802 1.00 12.53 H new ATOM 0 HD22 LEU A 88 -0.979 0.517 7.259 1.00 12.53 H new ATOM 0 HD23 LEU A 88 -0.413 2.140 6.796 1.00 12.53 H new ATOM 1434 N THR A 89 -0.177 1.153 9.243 1.00 22.34 N ATOM 1435 CA THR A 89 -0.632 2.253 10.083 1.00 11.32 C ATOM 1436 C THR A 89 0.119 2.280 11.409 1.00 0.54 C ATOM 1437 O THR A 89 0.532 3.340 11.879 1.00 13.41 O ATOM 1438 CB THR A 89 -2.143 2.158 10.364 1.00 10.43 C ATOM 1439 OG1 THR A 89 -2.881 2.386 9.159 1.00 50.54 O ATOM 1440 CG2 THR A 89 -2.562 3.170 11.420 1.00 13.21 C ATOM 0 H THR A 89 -0.877 0.429 9.081 1.00 22.34 H new ATOM 0 HA THR A 89 -0.429 3.173 9.535 1.00 11.32 H new ATOM 0 HB THR A 89 -2.358 1.157 10.737 1.00 10.43 H new ATOM 0 HG1 THR A 89 -2.803 1.603 8.575 1.00 50.54 H new ATOM 0 HG21 THR A 89 -3.633 3.084 11.602 1.00 13.21 H new ATOM 0 HG22 THR A 89 -2.020 2.975 12.346 1.00 13.21 H new ATOM 0 HG23 THR A 89 -2.333 4.177 11.070 1.00 13.21 H new ATOM 1448 N SER A 90 0.293 1.107 12.009 1.00 64.51 N ATOM 1449 CA SER A 90 0.993 0.997 13.284 1.00 61.42 C ATOM 1450 C SER A 90 2.500 1.132 13.090 1.00 62.51 C ATOM 1451 O SER A 90 3.198 1.689 13.938 1.00 20.30 O ATOM 1452 CB SER A 90 0.672 -0.342 13.952 1.00 53.30 C ATOM 1453 OG SER A 90 1.518 -1.370 13.468 1.00 21.44 O ATOM 0 H SER A 90 -0.041 0.220 11.633 1.00 64.51 H new ATOM 0 HA SER A 90 0.653 1.808 13.928 1.00 61.42 H new ATOM 0 HB2 SER A 90 0.788 -0.250 15.032 1.00 53.30 H new ATOM 0 HB3 SER A 90 -0.369 -0.605 13.764 1.00 53.30 H new ATOM 0 HG SER A 90 1.294 -2.214 13.912 1.00 21.44 H new ATOM 1459 N ILE A 91 2.995 0.617 11.969 1.00 14.22 N ATOM 1460 CA ILE A 91 4.418 0.681 11.664 1.00 51.22 C ATOM 1461 C ILE A 91 4.842 2.104 11.314 1.00 24.01 C ATOM 1462 O ILE A 91 5.968 2.515 11.598 1.00 30.51 O ATOM 1463 CB ILE A 91 4.785 -0.253 10.495 1.00 61.04 C ATOM 1464 CG1 ILE A 91 4.200 -1.647 10.725 1.00 54.02 C ATOM 1465 CG2 ILE A 91 6.296 -0.327 10.331 1.00 72.31 C ATOM 1466 CD1 ILE A 91 4.452 -2.605 9.582 1.00 71.14 C ATOM 0 H ILE A 91 2.431 0.151 11.258 1.00 14.22 H new ATOM 0 HA ILE A 91 4.948 0.356 12.559 1.00 51.22 H new ATOM 0 HB ILE A 91 4.359 0.152 9.577 1.00 61.04 H new ATOM 0 HG12 ILE A 91 4.625 -2.064 11.638 1.00 54.02 H new ATOM 0 HG13 ILE A 91 3.125 -1.559 10.884 1.00 54.02 H new ATOM 0 HG21 ILE A 91 6.540 -0.991 9.501 1.00 72.31 H new ATOM 0 HG22 ILE A 91 6.689 0.669 10.127 1.00 72.31 H new ATOM 0 HG23 ILE A 91 6.743 -0.712 11.247 1.00 72.31 H new ATOM 0 HD11 ILE A 91 4.009 -3.573 9.815 1.00 71.14 H new ATOM 0 HD12 ILE A 91 4.003 -2.210 8.671 1.00 71.14 H new ATOM 0 HD13 ILE A 91 5.526 -2.723 9.436 1.00 71.14 H new ATOM 1478 N SER A 92 3.933 2.853 10.700 1.00 71.21 N ATOM 1479 CA SER A 92 4.213 4.230 10.311 1.00 54.14 C ATOM 1480 C SER A 92 4.282 5.137 11.535 1.00 1.51 C ATOM 1481 O SER A 92 3.442 5.057 12.429 1.00 33.22 O ATOM 1482 CB SER A 92 3.140 4.737 9.345 1.00 1.35 C ATOM 1483 OG SER A 92 1.845 4.596 9.903 1.00 75.22 O ATOM 0 H SER A 92 2.996 2.530 10.461 1.00 71.21 H new ATOM 0 HA SER A 92 5.181 4.251 9.811 1.00 54.14 H new ATOM 0 HB2 SER A 92 3.325 5.785 9.108 1.00 1.35 H new ATOM 0 HB3 SER A 92 3.198 4.183 8.408 1.00 1.35 H new ATOM 0 HG SER A 92 1.913 4.173 10.784 1.00 75.22 H new ATOM 1489 N ASN A 93 5.291 6.001 11.567 1.00 23.11 N ATOM 1490 CA ASN A 93 5.473 6.924 12.681 1.00 13.24 C ATOM 1491 C ASN A 93 4.531 8.119 12.556 1.00 23.15 C ATOM 1492 O ASN A 93 4.942 9.205 12.148 1.00 13.54 O ATOM 1493 CB ASN A 93 6.923 7.408 12.740 1.00 43.13 C ATOM 1494 CG ASN A 93 7.431 7.877 11.389 1.00 1.03 C ATOM 1495 OD1 ASN A 93 6.647 8.147 10.479 1.00 5.12 O ATOM 1496 ND2 ASN A 93 8.748 7.974 11.255 1.00 40.13 N ATOM 0 H ASN A 93 5.996 6.081 10.834 1.00 23.11 H new ATOM 0 HA ASN A 93 5.238 6.392 13.603 1.00 13.24 H new ATOM 0 HB2 ASN A 93 7.002 8.224 13.458 1.00 43.13 H new ATOM 0 HB3 ASN A 93 7.558 6.601 13.104 1.00 43.13 H new ATOM 0 HD21 ASN A 93 9.149 8.283 10.370 1.00 40.13 H new ATOM 0 HD22 ASN A 93 9.359 7.739 12.037 1.00 40.13 H new ATOM 1503 N ILE A 94 3.268 7.909 12.912 1.00 24.41 N ATOM 1504 CA ILE A 94 2.269 8.968 12.842 1.00 43.11 C ATOM 1505 C ILE A 94 2.403 9.929 14.018 1.00 32.41 C ATOM 1506 O ILE A 94 1.522 10.003 14.875 1.00 13.52 O ATOM 1507 CB ILE A 94 0.840 8.394 12.823 1.00 73.42 C ATOM 1508 CG1 ILE A 94 0.730 7.277 11.782 1.00 14.40 C ATOM 1509 CG2 ILE A 94 -0.169 9.495 12.536 1.00 15.21 C ATOM 1510 CD1 ILE A 94 -0.643 6.644 11.718 1.00 24.42 C ATOM 0 H ILE A 94 2.913 7.015 13.252 1.00 24.41 H new ATOM 0 HA ILE A 94 2.447 9.508 11.912 1.00 43.11 H new ATOM 0 HB ILE A 94 0.619 7.974 13.804 1.00 73.42 H new ATOM 0 HG12 ILE A 94 0.982 7.680 10.801 1.00 14.40 H new ATOM 0 HG13 ILE A 94 1.466 6.506 12.009 1.00 14.40 H new ATOM 0 HG21 ILE A 94 -1.174 9.074 12.526 1.00 15.21 H new ATOM 0 HG22 ILE A 94 -0.104 10.259 13.310 1.00 15.21 H new ATOM 0 HG23 ILE A 94 0.047 9.942 11.566 1.00 15.21 H new ATOM 0 HD11 ILE A 94 -0.648 5.861 10.959 1.00 24.42 H new ATOM 0 HD12 ILE A 94 -0.890 6.211 12.688 1.00 24.42 H new ATOM 0 HD13 ILE A 94 -1.382 7.403 11.461 1.00 24.42 H new ATOM 1522 N ARG A 95 3.510 10.663 14.053 1.00 23.40 N ATOM 1523 CA ARG A 95 3.759 11.619 15.124 1.00 4.22 C ATOM 1524 C ARG A 95 3.607 13.052 14.620 1.00 73.12 C ATOM 1525 O ARG A 95 3.021 13.898 15.295 1.00 41.53 O ATOM 1526 CB ARG A 95 5.162 11.417 15.701 1.00 12.45 C ATOM 1527 CG ARG A 95 5.403 10.017 16.240 1.00 71.12 C ATOM 1528 CD ARG A 95 4.723 9.814 17.586 1.00 63.45 C ATOM 1529 NE ARG A 95 4.407 8.409 17.832 1.00 74.13 N ATOM 1530 CZ ARG A 95 3.810 7.973 18.935 1.00 33.33 C ATOM 1531 NH1 ARG A 95 3.465 8.827 19.889 1.00 61.14 N ATOM 1532 NH2 ARG A 95 3.554 6.679 19.086 1.00 44.23 N ATOM 0 H ARG A 95 4.249 10.614 13.352 1.00 23.40 H new ATOM 0 HA ARG A 95 3.022 11.447 15.909 1.00 4.22 H new ATOM 0 HB2 ARG A 95 5.898 11.631 14.926 1.00 12.45 H new ATOM 0 HB3 ARG A 95 5.324 12.138 16.502 1.00 12.45 H new ATOM 0 HG2 ARG A 95 5.029 9.282 15.527 1.00 71.12 H new ATOM 0 HG3 ARG A 95 6.474 9.845 16.343 1.00 71.12 H new ATOM 0 HD2 ARG A 95 5.372 10.184 18.380 1.00 63.45 H new ATOM 0 HD3 ARG A 95 3.807 10.404 17.622 1.00 63.45 H new ATOM 0 HE ARG A 95 4.659 7.726 17.118 1.00 74.13 H new ATOM 0 HH11 ARG A 95 3.658 9.822 19.777 1.00 61.14 H new ATOM 0 HH12 ARG A 95 3.007 8.489 20.735 1.00 61.14 H new ATOM 0 HH21 ARG A 95 3.816 6.019 18.354 1.00 44.23 H new ATOM 0 HH22 ARG A 95 3.095 6.345 19.934 1.00 44.23 H new ATOM 1546 N TYR A 96 4.138 13.314 13.431 1.00 53.04 N ATOM 1547 CA TYR A 96 4.064 14.644 12.837 1.00 2.54 C ATOM 1548 C TYR A 96 2.618 15.027 12.536 1.00 32.52 C ATOM 1549 O TYR A 96 1.739 14.168 12.463 1.00 50.03 O ATOM 1550 CB TYR A 96 4.896 14.701 11.555 1.00 14.01 C ATOM 1551 CG TYR A 96 6.380 14.850 11.803 1.00 53.32 C ATOM 1552 CD1 TYR A 96 7.173 13.743 12.078 1.00 74.34 C ATOM 1553 CD2 TYR A 96 6.989 16.098 11.763 1.00 54.34 C ATOM 1554 CE1 TYR A 96 8.529 13.874 12.305 1.00 4.24 C ATOM 1555 CE2 TYR A 96 8.345 16.239 11.987 1.00 0.44 C ATOM 1556 CZ TYR A 96 9.111 15.125 12.259 1.00 73.01 C ATOM 1557 OH TYR A 96 10.461 15.261 12.484 1.00 4.24 O ATOM 0 H TYR A 96 4.624 12.623 12.859 1.00 53.04 H new ATOM 0 HA TYR A 96 4.468 15.357 13.556 1.00 2.54 H new ATOM 0 HB2 TYR A 96 4.722 13.793 10.978 1.00 14.01 H new ATOM 0 HB3 TYR A 96 4.552 15.537 10.945 1.00 14.01 H new ATOM 0 HD1 TYR A 96 6.721 12.763 12.115 1.00 74.34 H new ATOM 0 HD2 TYR A 96 6.392 16.973 11.553 1.00 54.34 H new ATOM 0 HE1 TYR A 96 9.131 13.003 12.517 1.00 4.24 H new ATOM 0 HE2 TYR A 96 8.803 17.216 11.949 1.00 0.44 H new ATOM 0 HH TYR A 96 10.711 16.206 12.414 1.00 4.24 H new ATOM 1567 N GLY A 97 2.379 16.323 12.361 1.00 22.15 N ATOM 1568 CA GLY A 97 1.040 16.797 12.069 1.00 13.35 C ATOM 1569 C GLY A 97 0.495 16.234 10.772 1.00 35.20 C ATOM 1570 O GLY A 97 -0.717 16.216 10.556 1.00 70.24 O ATOM 0 H GLY A 97 3.089 17.053 12.416 1.00 22.15 H new ATOM 0 HA2 GLY A 97 0.375 16.524 12.888 1.00 13.35 H new ATOM 0 HA3 GLY A 97 1.047 17.886 12.014 1.00 13.35 H new ATOM 1574 N TYR A 98 1.391 15.774 9.906 1.00 1.11 N ATOM 1575 CA TYR A 98 0.994 15.211 8.621 1.00 1.52 C ATOM 1576 C TYR A 98 0.011 14.060 8.811 1.00 24.42 C ATOM 1577 O TYR A 98 0.249 12.946 8.348 1.00 74.23 O ATOM 1578 CB TYR A 98 2.223 14.726 7.852 1.00 41.54 C ATOM 1579 CG TYR A 98 3.195 15.831 7.506 1.00 44.41 C ATOM 1580 CD1 TYR A 98 2.791 16.931 6.760 1.00 2.33 C ATOM 1581 CD2 TYR A 98 4.520 15.774 7.923 1.00 31.13 C ATOM 1582 CE1 TYR A 98 3.677 17.943 6.442 1.00 15.34 C ATOM 1583 CE2 TYR A 98 5.411 16.781 7.611 1.00 40.23 C ATOM 1584 CZ TYR A 98 4.985 17.863 6.870 1.00 44.52 C ATOM 1585 OH TYR A 98 5.871 18.868 6.554 1.00 1.45 O ATOM 0 H TYR A 98 2.398 15.780 10.071 1.00 1.11 H new ATOM 0 HA TYR A 98 0.500 15.995 8.046 1.00 1.52 H new ATOM 0 HB2 TYR A 98 2.739 13.972 8.447 1.00 41.54 H new ATOM 0 HB3 TYR A 98 1.897 14.239 6.933 1.00 41.54 H new ATOM 0 HD1 TYR A 98 1.767 16.997 6.423 1.00 2.33 H new ATOM 0 HD2 TYR A 98 4.858 14.927 8.501 1.00 31.13 H new ATOM 0 HE1 TYR A 98 3.346 18.792 5.862 1.00 15.34 H new ATOM 0 HE2 TYR A 98 6.436 16.722 7.945 1.00 40.23 H new ATOM 0 HH TYR A 98 6.751 18.659 6.932 1.00 1.45 H new TER 1595 TYR A 98