USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 488 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 38 GLN : amide:sc= -6.18! C(o=-6.3!,f=-4.7!) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.11 K(o=-6.3,f=-6.8) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -177:sc= -3.81 (180deg=-3.96) USER MOD Single : A 6 THR OG1 : rot 70:sc= 0.268 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -10.3! C(o=-10!,f=-9.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 151:sc= 1.53 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= -0.288 (180deg=-1.43!) USER MOD Single : A 33 HIS : no HE2:sc= -0.108 K(o=-0.11,f=-0.61) USER MOD Single : A 35 SER OG : rot 149:sc= -0.73 USER MOD Single : A 39 ASN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -4.25! K(o=-4.3!,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ 144:sc= -0.0459 (180deg=-1.55!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.916 USER MOD Single : A 54 THR OG1 : rot -71:sc= 1.01 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= -0.224 (180deg=-1.14) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 3 -11.881 0.101 11.652 1.00 0.00 N ATOM 13 CA GLY A 3 -11.912 -0.576 10.368 1.00 0.00 C ATOM 14 C GLY A 3 -10.507 -0.575 9.760 1.00 0.00 C ATOM 15 O GLY A 3 -9.539 -0.395 10.515 1.00 0.00 O ATOM 0 HA2 GLY A 3 -12.266 -1.599 10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.611 -0.076 9.697 1.00 0.00 H new ATOM 19 N LYS A 4 -10.424 -0.770 8.432 1.00 0.00 N ATOM 20 CA LYS A 4 -9.149 -0.790 7.736 1.00 0.00 C ATOM 21 C LYS A 4 -8.794 0.630 7.290 1.00 0.00 C ATOM 22 O LYS A 4 -9.693 1.481 7.258 1.00 0.00 O ATOM 23 CB LYS A 4 -9.181 -1.804 6.590 1.00 0.00 C ATOM 24 CG LYS A 4 -8.679 -3.172 7.055 1.00 0.00 C ATOM 25 CD LYS A 4 -9.776 -4.231 6.925 1.00 0.00 C ATOM 26 CE LYS A 4 -10.447 -4.494 8.275 1.00 0.00 C ATOM 27 NZ LYS A 4 -11.494 -5.520 8.138 1.00 0.00 N ATOM 0 H LYS A 4 -11.233 -0.915 7.828 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.355 -1.123 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.198 -1.896 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.563 -1.447 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.812 -3.466 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.350 -3.109 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.522 -3.900 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.349 -5.157 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.702 -4.820 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.882 -3.571 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.940 -5.687 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.213 -5.194 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.070 -6.405 7.793 1.00 0.00 H new ATOM 41 N MET A 5 -7.509 0.853 6.962 1.00 0.00 N ATOM 42 CA MET A 5 -7.042 2.159 6.524 1.00 0.00 C ATOM 43 C MET A 5 -6.639 2.083 5.050 1.00 0.00 C ATOM 44 O MET A 5 -5.984 1.104 4.666 1.00 0.00 O ATOM 45 CB MET A 5 -5.838 2.601 7.359 1.00 0.00 C ATOM 46 CG MET A 5 -4.838 1.457 7.530 1.00 0.00 C ATOM 47 SD MET A 5 -4.693 1.014 9.286 1.00 0.00 S ATOM 48 CE MET A 5 -6.435 0.660 9.666 1.00 0.00 C ATOM 0 H MET A 5 -6.783 0.138 6.996 1.00 0.00 H new ATOM 0 HA MET A 5 -7.845 2.885 6.653 1.00 0.00 H new ATOM 0 HB2 MET A 5 -5.348 3.447 6.877 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.176 2.943 8.337 1.00 0.00 H new ATOM 0 HG2 MET A 5 -5.162 0.591 6.954 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.864 1.753 7.140 1.00 0.00 H new ATOM 0 HE1 MET A 5 -6.535 0.422 10.725 1.00 0.00 H new ATOM 0 HE2 MET A 5 -7.043 1.533 9.431 1.00 0.00 H new ATOM 0 HE3 MET A 5 -6.772 -0.188 9.070 1.00 0.00 H new ATOM 58 N THR A 6 -7.034 3.101 4.265 1.00 0.00 N ATOM 59 CA THR A 6 -6.717 3.150 2.848 1.00 0.00 C ATOM 60 C THR A 6 -5.279 3.639 2.668 1.00 0.00 C ATOM 61 O THR A 6 -4.737 4.237 3.609 1.00 0.00 O ATOM 62 CB THR A 6 -7.751 4.032 2.146 1.00 0.00 C ATOM 63 OG1 THR A 6 -7.462 5.346 2.615 1.00 0.00 O ATOM 64 CG2 THR A 6 -9.176 3.767 2.635 1.00 0.00 C ATOM 0 H THR A 6 -7.575 3.898 4.600 1.00 0.00 H new ATOM 0 HA THR A 6 -6.770 2.162 2.391 1.00 0.00 H new ATOM 0 HB THR A 6 -7.700 3.865 1.070 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.611 5.649 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.870 4.419 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.438 2.726 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.237 3.966 3.705 1.00 0.00 H new ATOM 72 N GLY A 7 -4.699 3.378 1.482 1.00 0.00 N ATOM 73 CA GLY A 7 -3.337 3.790 1.186 1.00 0.00 C ATOM 74 C GLY A 7 -2.926 3.229 -0.178 1.00 0.00 C ATOM 75 O GLY A 7 -3.067 2.016 -0.384 1.00 0.00 O ATOM 0 H GLY A 7 -5.162 2.883 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.266 4.878 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.659 3.430 1.960 1.00 0.00 H new ATOM 79 N ILE A 8 -2.434 4.112 -1.067 1.00 0.00 N ATOM 80 CA ILE A 8 -2.007 3.708 -2.396 1.00 0.00 C ATOM 81 C ILE A 8 -0.516 3.364 -2.367 1.00 0.00 C ATOM 82 O ILE A 8 0.226 4.024 -1.625 1.00 0.00 O ATOM 83 CB ILE A 8 -2.371 4.781 -3.424 1.00 0.00 C ATOM 84 CG1 ILE A 8 -1.160 5.656 -3.755 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.566 5.610 -2.952 1.00 0.00 C ATOM 86 CD1 ILE A 8 -1.498 6.668 -4.851 1.00 0.00 C ATOM 0 H ILE A 8 -2.327 5.108 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.535 2.807 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.670 4.283 -4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.831 6.182 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.330 5.028 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.804 6.365 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.427 4.958 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.320 6.099 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.620 7.277 -5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.803 6.139 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.312 7.311 -4.515 1.00 0.00 H new ATOM 98 N VAL A 9 -0.116 2.354 -3.159 1.00 0.00 N ATOM 99 CA VAL A 9 1.273 1.929 -3.224 1.00 0.00 C ATOM 100 C VAL A 9 1.898 2.440 -4.522 1.00 0.00 C ATOM 101 O VAL A 9 1.145 2.768 -5.451 1.00 0.00 O ATOM 102 CB VAL A 9 1.363 0.409 -3.073 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.158 -0.277 -3.719 1.00 0.00 C ATOM 104 CG2 VAL A 9 2.673 -0.122 -3.655 1.00 0.00 C ATOM 0 H VAL A 9 -0.745 1.822 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 9 1.843 2.358 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 9 1.351 0.176 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.246 -1.357 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.758 0.069 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.126 -0.032 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.712 -1.205 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.728 0.128 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.514 0.332 -3.131 1.00 0.00 H new ATOM 114 N LYS A 10 3.242 2.498 -4.562 1.00 0.00 N ATOM 115 CA LYS A 10 3.958 2.965 -5.737 1.00 0.00 C ATOM 116 C LYS A 10 5.391 2.430 -5.701 1.00 0.00 C ATOM 117 O LYS A 10 6.013 2.336 -6.770 1.00 0.00 O ATOM 118 CB LYS A 10 3.873 4.489 -5.847 1.00 0.00 C ATOM 119 CG LYS A 10 2.568 4.917 -6.518 1.00 0.00 C ATOM 120 CD LYS A 10 2.812 6.049 -7.521 1.00 0.00 C ATOM 121 CE LYS A 10 2.418 7.402 -6.925 1.00 0.00 C ATOM 122 NZ LYS A 10 2.708 8.487 -7.876 1.00 0.00 N ATOM 0 H LYS A 10 3.845 2.224 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 10 3.495 2.577 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.938 4.933 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.721 4.864 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.121 4.064 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.856 5.245 -5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.864 6.066 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.237 5.866 -8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.357 7.402 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.963 7.569 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.435 9.399 -7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.725 8.496 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.169 8.334 -8.752 1.00 0.00 H new ATOM 136 N TRP A 11 5.878 2.096 -4.492 1.00 0.00 N ATOM 137 CA TRP A 11 7.226 1.576 -4.323 1.00 0.00 C ATOM 138 C TRP A 11 7.179 0.047 -4.313 1.00 0.00 C ATOM 139 O TRP A 11 8.086 -0.566 -3.728 1.00 0.00 O ATOM 140 CB TRP A 11 7.865 2.163 -3.064 1.00 0.00 C ATOM 141 CG TRP A 11 8.076 3.677 -3.121 1.00 0.00 C ATOM 142 CD1 TRP A 11 9.230 4.345 -3.253 1.00 0.00 C ATOM 143 CD2 TRP A 11 7.053 4.691 -3.040 1.00 0.00 C ATOM 144 NE1 TRP A 11 9.026 5.711 -3.265 1.00 0.00 N ATOM 145 CE2 TRP A 11 7.659 5.927 -3.132 1.00 0.00 C ATOM 146 CE3 TRP A 11 5.658 4.569 -2.896 1.00 0.00 C ATOM 147 CZ2 TRP A 11 6.952 7.135 -3.088 1.00 0.00 C ATOM 148 CZ3 TRP A 11 4.965 5.785 -2.855 1.00 0.00 C ATOM 149 CH2 TRP A 11 5.562 7.037 -2.945 1.00 0.00 C ATOM 0 H TRP A 11 5.349 2.181 -3.624 1.00 0.00 H new ATOM 0 HA TRP A 11 7.857 1.878 -5.158 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.236 1.926 -2.206 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.827 1.678 -2.898 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.198 3.874 -3.339 1.00 0.00 H new ATOM 0 HE1 TRP A 11 9.745 6.429 -3.355 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.161 3.613 -2.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.451 8.090 -3.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.891 5.747 -2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.957 7.931 -2.905 1.00 0.00 H new ATOM 160 N PHE A 12 6.144 -0.529 -4.948 1.00 0.00 N ATOM 161 CA PHE A 12 5.985 -1.971 -5.012 1.00 0.00 C ATOM 162 C PHE A 12 6.891 -2.533 -6.110 1.00 0.00 C ATOM 163 O PHE A 12 6.946 -1.933 -7.194 1.00 0.00 O ATOM 164 CB PHE A 12 4.508 -2.307 -5.297 1.00 0.00 C ATOM 165 CG PHE A 12 4.273 -3.103 -6.574 1.00 0.00 C ATOM 166 CD1 PHE A 12 4.162 -2.434 -7.816 1.00 0.00 C ATOM 167 CD2 PHE A 12 4.173 -4.514 -6.530 1.00 0.00 C ATOM 168 CE1 PHE A 12 3.949 -3.168 -9.001 1.00 0.00 C ATOM 169 CE2 PHE A 12 3.959 -5.246 -7.718 1.00 0.00 C ATOM 170 CZ PHE A 12 3.847 -4.575 -8.953 1.00 0.00 C ATOM 0 H PHE A 12 5.408 -0.006 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 12 6.269 -2.423 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.108 -2.871 -4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.942 -1.377 -5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.241 -1.358 -7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.261 -5.032 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.864 -2.653 -9.946 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.881 -6.323 -7.681 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.683 -5.137 -9.861 1.00 0.00 H new ATOM 180 N ASN A 13 7.574 -3.654 -5.813 1.00 0.00 N ATOM 181 CA ASN A 13 8.468 -4.286 -6.767 1.00 0.00 C ATOM 182 C ASN A 13 8.369 -5.807 -6.622 1.00 0.00 C ATOM 183 O ASN A 13 8.746 -6.323 -5.560 1.00 0.00 O ATOM 184 CB ASN A 13 9.920 -3.881 -6.514 1.00 0.00 C ATOM 185 CG ASN A 13 10.856 -5.086 -6.636 1.00 0.00 C ATOM 186 OD1 ASN A 13 11.216 -5.726 -5.662 1.00 0.00 O ATOM 187 ND2 ASN A 13 11.227 -5.357 -7.883 1.00 0.00 N ATOM 0 H ASN A 13 7.515 -4.132 -4.914 1.00 0.00 H new ATOM 0 HA ASN A 13 8.174 -3.966 -7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.216 -3.112 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.011 -3.445 -5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.851 -6.142 -8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.888 -4.780 -8.653 1.00 0.00 H new ATOM 194 N ALA A 14 7.873 -6.481 -7.674 1.00 0.00 N ATOM 195 CA ALA A 14 7.727 -7.927 -7.662 1.00 0.00 C ATOM 196 C ALA A 14 8.852 -8.554 -8.489 1.00 0.00 C ATOM 197 O ALA A 14 8.679 -9.691 -8.952 1.00 0.00 O ATOM 198 CB ALA A 14 6.418 -8.319 -8.352 1.00 0.00 C ATOM 0 H ALA A 14 7.569 -6.036 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 14 7.747 -8.268 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.312 -9.404 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.579 -7.867 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.430 -7.966 -9.383 1.00 0.00 H new ATOM 204 N ASP A 15 9.963 -7.815 -8.655 1.00 0.00 N ATOM 205 CA ASP A 15 11.101 -8.295 -9.418 1.00 0.00 C ATOM 206 C ASP A 15 12.037 -9.075 -8.493 1.00 0.00 C ATOM 207 O ASP A 15 12.488 -10.161 -8.889 1.00 0.00 O ATOM 208 CB ASP A 15 11.893 -7.131 -10.019 1.00 0.00 C ATOM 209 CG ASP A 15 12.486 -7.401 -11.403 1.00 0.00 C ATOM 210 OD1 ASP A 15 11.888 -8.107 -12.229 1.00 0.00 O ATOM 211 OD2 ASP A 15 13.628 -6.842 -11.625 1.00 0.00 O ATOM 0 H ASP A 15 10.085 -6.881 -8.264 1.00 0.00 H new ATOM 0 HA ASP A 15 10.725 -8.928 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.239 -6.261 -10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.703 -6.871 -9.337 1.00 0.00 H new ATOM 216 N LYS A 16 12.305 -8.517 -7.299 1.00 0.00 N ATOM 217 CA LYS A 16 13.180 -9.157 -6.329 1.00 0.00 C ATOM 218 C LYS A 16 12.338 -9.718 -5.183 1.00 0.00 C ATOM 219 O LYS A 16 12.743 -10.731 -4.594 1.00 0.00 O ATOM 220 CB LYS A 16 14.273 -8.188 -5.873 1.00 0.00 C ATOM 221 CG LYS A 16 13.672 -6.850 -5.436 1.00 0.00 C ATOM 222 CD LYS A 16 14.717 -5.986 -4.726 1.00 0.00 C ATOM 223 CE LYS A 16 15.823 -5.560 -5.690 1.00 0.00 C ATOM 224 NZ LYS A 16 15.783 -4.105 -5.909 1.00 0.00 N ATOM 0 H LYS A 16 11.922 -7.623 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 16 13.702 -9.999 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.832 -8.627 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.981 -8.025 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.286 -6.319 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.827 -7.027 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.238 -5.103 -4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.149 -6.542 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.795 -5.847 -5.288 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.705 -6.080 -6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.541 -3.832 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.862 -3.840 -6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.918 -3.614 -5.002 1.00 0.00 H new ATOM 238 N GLY A 17 11.200 -9.061 -4.893 1.00 0.00 N ATOM 239 CA GLY A 17 10.312 -9.492 -3.826 1.00 0.00 C ATOM 240 C GLY A 17 10.384 -8.489 -2.672 1.00 0.00 C ATOM 241 O GLY A 17 10.663 -8.912 -1.540 1.00 0.00 O ATOM 0 H GLY A 17 10.883 -8.229 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.289 -9.566 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.597 -10.485 -3.478 1.00 0.00 H new ATOM 245 N PHE A 18 10.135 -7.203 -2.975 1.00 0.00 N ATOM 246 CA PHE A 18 10.171 -6.154 -1.970 1.00 0.00 C ATOM 247 C PHE A 18 9.589 -4.868 -2.560 1.00 0.00 C ATOM 248 O PHE A 18 9.582 -4.735 -3.792 1.00 0.00 O ATOM 249 CB PHE A 18 11.627 -5.937 -1.515 1.00 0.00 C ATOM 250 CG PHE A 18 12.111 -6.909 -0.447 1.00 0.00 C ATOM 251 CD1 PHE A 18 11.492 -6.940 0.824 1.00 0.00 C ATOM 252 CD2 PHE A 18 13.189 -7.783 -0.721 1.00 0.00 C ATOM 253 CE1 PHE A 18 11.946 -7.839 1.813 1.00 0.00 C ATOM 254 CE2 PHE A 18 13.642 -8.682 0.268 1.00 0.00 C ATOM 255 CZ PHE A 18 13.020 -8.711 1.535 1.00 0.00 C ATOM 0 H PHE A 18 9.907 -6.876 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 18 9.574 -6.441 -1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.281 -6.018 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.727 -4.921 -1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.669 -6.274 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.667 -7.762 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 18 11.471 -7.859 2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 18 14.465 -9.348 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 18 13.366 -9.400 2.291 1.00 0.00 H new ATOM 265 N GLY A 19 9.117 -3.963 -1.684 1.00 0.00 N ATOM 266 CA GLY A 19 8.539 -2.702 -2.115 1.00 0.00 C ATOM 267 C GLY A 19 8.007 -1.946 -0.895 1.00 0.00 C ATOM 268 O GLY A 19 8.139 -2.464 0.222 1.00 0.00 O ATOM 0 H GLY A 19 9.130 -4.093 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.289 -2.102 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.732 -2.883 -2.826 1.00 0.00 H new ATOM 272 N PHE A 20 7.423 -0.758 -1.131 1.00 0.00 N ATOM 273 CA PHE A 20 6.876 0.058 -0.060 1.00 0.00 C ATOM 274 C PHE A 20 5.528 0.633 -0.499 1.00 0.00 C ATOM 275 O PHE A 20 5.265 0.659 -1.711 1.00 0.00 O ATOM 276 CB PHE A 20 7.869 1.187 0.276 1.00 0.00 C ATOM 277 CG PHE A 20 8.941 0.811 1.290 1.00 0.00 C ATOM 278 CD1 PHE A 20 9.907 -0.172 0.969 1.00 0.00 C ATOM 279 CD2 PHE A 20 8.983 1.443 2.554 1.00 0.00 C ATOM 280 CE1 PHE A 20 10.903 -0.519 1.906 1.00 0.00 C ATOM 281 CE2 PHE A 20 9.979 1.094 3.490 1.00 0.00 C ATOM 282 CZ PHE A 20 10.939 0.113 3.166 1.00 0.00 C ATOM 0 H PHE A 20 7.323 -0.350 -2.061 1.00 0.00 H new ATOM 0 HA PHE A 20 6.721 -0.548 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.356 1.510 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.311 2.042 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.882 -0.658 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.250 2.196 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.639 -1.270 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.006 1.578 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.701 -0.154 3.883 1.00 0.00 H new ATOM 292 N ILE A 21 4.716 1.074 0.476 1.00 0.00 N ATOM 293 CA ILE A 21 3.408 1.643 0.191 1.00 0.00 C ATOM 294 C ILE A 21 3.341 3.063 0.758 1.00 0.00 C ATOM 295 O ILE A 21 4.130 3.375 1.661 1.00 0.00 O ATOM 296 CB ILE A 21 2.300 0.721 0.706 1.00 0.00 C ATOM 297 CG1 ILE A 21 2.419 -0.674 0.090 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.921 1.338 0.466 1.00 0.00 C ATOM 299 CD1 ILE A 21 1.054 -1.362 0.026 1.00 0.00 C ATOM 0 H ILE A 21 4.952 1.043 1.468 1.00 0.00 H new ATOM 0 HA ILE A 21 3.251 1.721 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 21 2.420 0.608 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.840 -0.598 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.108 -1.279 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.151 0.664 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.853 2.292 0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.775 1.498 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.166 -2.352 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.647 -1.458 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.375 -0.767 -0.585 1.00 0.00 H new ATOM 311 N THR A 22 2.414 3.879 0.226 1.00 0.00 N ATOM 312 CA THR A 22 2.247 5.250 0.676 1.00 0.00 C ATOM 313 C THR A 22 0.839 5.428 1.250 1.00 0.00 C ATOM 314 O THR A 22 -0.128 5.325 0.481 1.00 0.00 O ATOM 315 CB THR A 22 2.547 6.189 -0.494 1.00 0.00 C ATOM 316 OG1 THR A 22 3.941 6.461 -0.372 1.00 0.00 O ATOM 317 CG2 THR A 22 1.885 7.559 -0.333 1.00 0.00 C ATOM 0 H THR A 22 1.773 3.601 -0.517 1.00 0.00 H new ATOM 0 HA THR A 22 2.944 5.495 1.477 1.00 0.00 H new ATOM 0 HB THR A 22 2.208 5.730 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.319 6.637 -1.259 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.131 8.185 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.804 7.436 -0.272 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.248 8.034 0.579 1.00 0.00 H new ATOM 325 N PRO A 23 0.753 5.684 2.567 1.00 0.00 N ATOM 326 CA PRO A 23 -0.506 5.877 3.266 1.00 0.00 C ATOM 327 C PRO A 23 -1.101 7.251 2.954 1.00 0.00 C ATOM 328 O PRO A 23 -0.604 8.247 3.501 1.00 0.00 O ATOM 329 CB PRO A 23 -0.170 5.695 4.738 1.00 0.00 C ATOM 330 CG PRO A 23 1.335 5.868 4.845 1.00 0.00 C ATOM 331 CD PRO A 23 1.915 5.797 3.443 1.00 0.00 C ATOM 0 HA PRO A 23 -1.273 5.168 2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.692 6.429 5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.476 4.710 5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.577 6.824 5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.765 5.089 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.501 6.687 3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.579 4.940 3.332 1.00 0.00 H new ATOM 339 N ASP A 24 -2.136 7.279 2.096 1.00 0.00 N ATOM 340 CA ASP A 24 -2.791 8.519 1.717 1.00 0.00 C ATOM 341 C ASP A 24 -3.112 9.327 2.976 1.00 0.00 C ATOM 342 O ASP A 24 -3.010 10.561 2.927 1.00 0.00 O ATOM 343 CB ASP A 24 -4.104 8.248 0.981 1.00 0.00 C ATOM 344 CG ASP A 24 -5.147 7.471 1.786 1.00 0.00 C ATOM 345 OD1 ASP A 24 -4.978 6.273 2.063 1.00 0.00 O ATOM 346 OD2 ASP A 24 -6.183 8.152 2.138 1.00 0.00 O ATOM 0 H ASP A 24 -2.530 6.447 1.657 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.117 9.068 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.537 9.201 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.884 7.694 0.069 1.00 0.00 H new ATOM 351 N ASP A 25 -3.489 8.626 4.060 1.00 0.00 N ATOM 352 CA ASP A 25 -3.821 9.274 5.318 1.00 0.00 C ATOM 353 C ASP A 25 -2.533 9.573 6.088 1.00 0.00 C ATOM 354 O ASP A 25 -2.477 10.613 6.761 1.00 0.00 O ATOM 355 CB ASP A 25 -4.692 8.366 6.190 1.00 0.00 C ATOM 356 CG ASP A 25 -4.007 7.091 6.683 1.00 0.00 C ATOM 357 OD1 ASP A 25 -3.322 7.092 7.718 1.00 0.00 O ATOM 358 OD2 ASP A 25 -4.199 6.049 5.949 1.00 0.00 O ATOM 0 H ASP A 25 -3.568 7.609 4.079 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.366 10.191 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.031 8.936 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.580 8.087 5.623 1.00 0.00 H new ATOM 363 N GLY A 26 -1.540 8.673 5.975 1.00 0.00 N ATOM 364 CA GLY A 26 -0.267 8.843 6.657 1.00 0.00 C ATOM 365 C GLY A 26 0.641 9.741 5.814 1.00 0.00 C ATOM 366 O GLY A 26 0.157 10.768 5.317 1.00 0.00 O ATOM 0 H GLY A 26 -1.605 7.823 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.424 9.286 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.206 7.874 6.816 1.00 0.00 H new ATOM 370 N SER A 27 1.918 9.343 5.672 1.00 0.00 N ATOM 371 CA SER A 27 2.881 10.105 4.898 1.00 0.00 C ATOM 372 C SER A 27 4.151 9.273 4.707 1.00 0.00 C ATOM 373 O SER A 27 4.713 9.298 3.602 1.00 0.00 O ATOM 374 CB SER A 27 3.215 11.436 5.574 1.00 0.00 C ATOM 375 OG SER A 27 3.649 11.258 6.919 1.00 0.00 O ATOM 0 H SER A 27 2.296 8.493 6.090 1.00 0.00 H new ATOM 0 HA SER A 27 2.441 10.332 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.994 11.945 5.006 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.336 12.081 5.559 1.00 0.00 H new ATOM 0 HG SER A 27 3.854 12.131 7.315 1.00 0.00 H new ATOM 381 N LYS A 28 4.571 8.565 5.771 1.00 0.00 N ATOM 382 CA LYS A 28 5.763 7.735 5.721 1.00 0.00 C ATOM 383 C LYS A 28 5.597 6.677 4.629 1.00 0.00 C ATOM 384 O LYS A 28 4.637 6.779 3.850 1.00 0.00 O ATOM 385 CB LYS A 28 6.068 7.150 7.102 1.00 0.00 C ATOM 386 CG LYS A 28 6.543 8.239 8.066 1.00 0.00 C ATOM 387 CD LYS A 28 7.548 7.678 9.074 1.00 0.00 C ATOM 388 CE LYS A 28 7.376 8.336 10.444 1.00 0.00 C ATOM 389 NZ LYS A 28 7.000 9.751 10.293 1.00 0.00 N ATOM 0 H LYS A 28 4.094 8.559 6.672 1.00 0.00 H new ATOM 0 HA LYS A 28 6.633 8.335 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.176 6.669 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.833 6.379 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.002 9.052 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.688 8.660 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.414 6.600 9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.563 7.844 8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.610 7.809 11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.304 8.259 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.244 10.270 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.513 10.163 9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.976 9.822 10.124 1.00 0.00 H new ATOM 403 N ASP A 29 6.519 5.698 4.593 1.00 0.00 N ATOM 404 CA ASP A 29 6.474 4.634 3.604 1.00 0.00 C ATOM 405 C ASP A 29 6.598 3.283 4.311 1.00 0.00 C ATOM 406 O ASP A 29 7.675 2.996 4.851 1.00 0.00 O ATOM 407 CB ASP A 29 7.633 4.756 2.611 1.00 0.00 C ATOM 408 CG ASP A 29 9.028 4.676 3.233 1.00 0.00 C ATOM 409 OD1 ASP A 29 9.115 5.129 4.437 1.00 0.00 O ATOM 410 OD2 ASP A 29 9.984 4.203 2.598 1.00 0.00 O ATOM 0 H ASP A 29 7.301 5.632 5.244 1.00 0.00 H new ATOM 0 HA ASP A 29 5.529 4.712 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.538 3.966 1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.541 5.705 2.083 1.00 0.00 H new ATOM 415 N VAL A 30 5.509 2.493 4.293 1.00 0.00 N ATOM 416 CA VAL A 30 5.495 1.186 4.926 1.00 0.00 C ATOM 417 C VAL A 30 6.221 0.180 4.030 1.00 0.00 C ATOM 418 O VAL A 30 5.932 0.150 2.824 1.00 0.00 O ATOM 419 CB VAL A 30 4.057 0.773 5.244 1.00 0.00 C ATOM 420 CG1 VAL A 30 3.382 1.797 6.160 1.00 0.00 C ATOM 421 CG2 VAL A 30 3.248 0.569 3.962 1.00 0.00 C ATOM 0 H VAL A 30 4.631 2.749 3.842 1.00 0.00 H new ATOM 0 HA VAL A 30 6.028 1.218 5.876 1.00 0.00 H new ATOM 0 HB VAL A 30 4.092 -0.179 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.361 1.479 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.939 1.872 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.365 2.770 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.230 0.276 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.226 1.499 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.711 -0.213 3.360 1.00 0.00 H new ATOM 431 N PHE A 31 7.134 -0.609 4.625 1.00 0.00 N ATOM 432 CA PHE A 31 7.890 -1.603 3.885 1.00 0.00 C ATOM 433 C PHE A 31 7.083 -2.900 3.811 1.00 0.00 C ATOM 434 O PHE A 31 6.550 -3.323 4.846 1.00 0.00 O ATOM 435 CB PHE A 31 9.241 -1.839 4.589 1.00 0.00 C ATOM 436 CG PHE A 31 9.180 -2.787 5.779 1.00 0.00 C ATOM 437 CD1 PHE A 31 8.998 -4.175 5.577 1.00 0.00 C ATOM 438 CD2 PHE A 31 9.300 -2.283 7.093 1.00 0.00 C ATOM 439 CE1 PHE A 31 8.937 -5.050 6.683 1.00 0.00 C ATOM 440 CE2 PHE A 31 9.238 -3.159 8.199 1.00 0.00 C ATOM 441 CZ PHE A 31 9.058 -4.542 7.994 1.00 0.00 C ATOM 0 H PHE A 31 7.357 -0.568 5.619 1.00 0.00 H new ATOM 0 HA PHE A 31 8.080 -1.253 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.950 -2.235 3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.633 -0.879 4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.906 -4.566 4.575 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.440 -1.224 7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.798 -6.109 6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.329 -2.769 9.202 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.013 -5.212 8.840 1.00 0.00 H new ATOM 451 N VAL A 32 7.011 -3.496 2.606 1.00 0.00 N ATOM 452 CA VAL A 32 6.275 -4.732 2.402 1.00 0.00 C ATOM 453 C VAL A 32 6.922 -5.524 1.264 1.00 0.00 C ATOM 454 O VAL A 32 7.742 -4.946 0.535 1.00 0.00 O ATOM 455 CB VAL A 32 4.797 -4.427 2.153 1.00 0.00 C ATOM 456 CG1 VAL A 32 4.367 -3.156 2.889 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.504 -4.318 0.654 1.00 0.00 C ATOM 0 H VAL A 32 7.459 -3.131 1.765 1.00 0.00 H new ATOM 0 HA VAL A 32 6.318 -5.354 3.296 1.00 0.00 H new ATOM 0 HB VAL A 32 4.213 -5.257 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.312 -2.962 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.521 -3.286 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.961 -2.313 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.446 -4.101 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.103 -3.516 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.753 -5.260 0.165 1.00 0.00 H new ATOM 467 N HIS A 33 6.548 -6.808 1.135 1.00 0.00 N ATOM 468 CA HIS A 33 7.088 -7.668 0.096 1.00 0.00 C ATOM 469 C HIS A 33 5.986 -7.999 -0.913 1.00 0.00 C ATOM 470 O HIS A 33 4.908 -8.436 -0.483 1.00 0.00 O ATOM 471 CB HIS A 33 7.734 -8.917 0.698 1.00 0.00 C ATOM 472 CG HIS A 33 6.904 -9.584 1.767 1.00 0.00 C ATOM 473 ND1 HIS A 33 5.786 -10.348 1.479 1.00 0.00 N ATOM 474 CD2 HIS A 33 7.038 -9.593 3.124 1.00 0.00 C ATOM 475 CE1 HIS A 33 5.277 -10.793 2.619 1.00 0.00 C ATOM 476 NE2 HIS A 33 6.054 -10.324 3.638 1.00 0.00 N ATOM 0 H HIS A 33 5.870 -7.265 1.746 1.00 0.00 H new ATOM 0 HA HIS A 33 7.882 -7.145 -0.437 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.925 -9.635 -0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.701 -8.645 1.121 1.00 0.00 H new ATOM 0 HD1 HIS A 33 5.417 -10.537 0.547 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.812 -9.091 3.686 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.402 -11.417 2.723 1.00 0.00 H new ATOM 484 N PHE A 34 6.271 -7.786 -2.208 1.00 0.00 N ATOM 485 CA PHE A 34 5.309 -8.059 -3.263 1.00 0.00 C ATOM 486 C PHE A 34 4.024 -7.274 -2.991 1.00 0.00 C ATOM 487 O PHE A 34 2.964 -7.691 -3.483 1.00 0.00 O ATOM 488 CB PHE A 34 5.027 -9.573 -3.313 1.00 0.00 C ATOM 489 CG PHE A 34 6.234 -10.435 -3.659 1.00 0.00 C ATOM 490 CD1 PHE A 34 6.656 -10.564 -5.004 1.00 0.00 C ATOM 491 CD2 PHE A 34 6.937 -11.113 -2.638 1.00 0.00 C ATOM 492 CE1 PHE A 34 7.772 -11.366 -5.321 1.00 0.00 C ATOM 493 CE2 PHE A 34 8.054 -11.916 -2.958 1.00 0.00 C ATOM 494 CZ PHE A 34 8.472 -12.041 -4.299 1.00 0.00 C ATOM 0 H PHE A 34 7.165 -7.424 -2.540 1.00 0.00 H new ATOM 0 HA PHE A 34 5.709 -7.747 -4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.638 -9.888 -2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.243 -9.759 -4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.123 -10.048 -5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.619 -11.017 -1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.091 -11.464 -6.348 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.588 -12.434 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.328 -12.653 -4.543 1.00 0.00 H new ATOM 504 N SER A 35 4.140 -6.174 -2.229 1.00 0.00 N ATOM 505 CA SER A 35 2.995 -5.342 -1.897 1.00 0.00 C ATOM 506 C SER A 35 2.122 -6.070 -0.872 1.00 0.00 C ATOM 507 O SER A 35 0.922 -5.767 -0.801 1.00 0.00 O ATOM 508 CB SER A 35 2.176 -4.996 -3.142 1.00 0.00 C ATOM 509 OG SER A 35 2.182 -3.596 -3.413 1.00 0.00 O ATOM 0 H SER A 35 5.023 -5.848 -1.835 1.00 0.00 H new ATOM 0 HA SER A 35 3.357 -4.406 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.578 -5.533 -4.001 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.149 -5.335 -3.006 1.00 0.00 H new ATOM 0 HG SER A 35 2.115 -3.450 -4.380 1.00 0.00 H new ATOM 515 N ALA A 36 2.731 -6.997 -0.111 1.00 0.00 N ATOM 516 CA ALA A 36 2.015 -7.757 0.898 1.00 0.00 C ATOM 517 C ALA A 36 0.607 -8.075 0.386 1.00 0.00 C ATOM 518 O ALA A 36 -0.327 -8.089 1.201 1.00 0.00 O ATOM 519 CB ALA A 36 1.831 -6.900 2.153 1.00 0.00 C ATOM 0 H ALA A 36 3.721 -7.230 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 36 2.581 -8.663 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.293 -7.472 2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.807 -6.611 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.261 -6.005 1.902 1.00 0.00 H new ATOM 525 N ILE A 37 0.487 -8.321 -0.930 1.00 0.00 N ATOM 526 CA ILE A 37 -0.793 -8.637 -1.541 1.00 0.00 C ATOM 527 C ILE A 37 -1.432 -9.811 -0.797 1.00 0.00 C ATOM 528 O ILE A 37 -0.814 -10.316 0.152 1.00 0.00 O ATOM 529 CB ILE A 37 -0.626 -8.876 -3.042 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.332 -10.040 -3.309 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.187 -7.597 -3.757 1.00 0.00 C ATOM 532 CD1 ILE A 37 -0.101 -10.836 -4.542 1.00 0.00 C ATOM 0 H ILE A 37 1.270 -8.304 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.477 -7.793 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.596 -9.156 -3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.342 -9.658 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.362 -10.697 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.076 -7.796 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.938 -6.821 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.766 -7.261 -3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.597 -11.657 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.102 -11.237 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.107 -10.182 -5.414 1.00 0.00 H new ATOM 544 N GLN A 38 -2.636 -10.218 -1.236 1.00 0.00 N ATOM 545 CA GLN A 38 -3.349 -11.323 -0.617 1.00 0.00 C ATOM 546 C GLN A 38 -3.302 -12.539 -1.544 1.00 0.00 C ATOM 547 O GLN A 38 -4.331 -13.216 -1.679 1.00 0.00 O ATOM 548 CB GLN A 38 -4.794 -10.943 -0.282 1.00 0.00 C ATOM 549 CG GLN A 38 -4.982 -10.777 1.227 1.00 0.00 C ATOM 550 CD GLN A 38 -3.766 -10.097 1.860 1.00 0.00 C ATOM 551 OE1 GLN A 38 -3.282 -10.484 2.910 1.00 0.00 O ATOM 552 NE2 GLN A 38 -3.301 -9.064 1.162 1.00 0.00 N ATOM 0 H GLN A 38 -3.128 -9.790 -2.020 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.860 -11.570 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.056 -10.014 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.471 -11.712 -0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.877 -10.186 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.138 -11.753 1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.754 -8.793 0.289 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.491 -8.543 1.500 1.00 0.00 H new ATOM 561 N ASN A 39 -2.129 -12.786 -2.154 1.00 0.00 N ATOM 562 CA ASN A 39 -1.953 -13.909 -3.059 1.00 0.00 C ATOM 563 C ASN A 39 -0.461 -14.223 -3.191 1.00 0.00 C ATOM 564 O ASN A 39 0.351 -13.297 -3.050 1.00 0.00 O ATOM 565 CB ASN A 39 -2.495 -13.584 -4.452 1.00 0.00 C ATOM 566 CG ASN A 39 -3.465 -14.665 -4.929 1.00 0.00 C ATOM 567 OD1 ASN A 39 -4.672 -14.489 -4.946 1.00 0.00 O ATOM 568 ND2 ASN A 39 -2.873 -15.792 -5.315 1.00 0.00 N ATOM 0 H ASN A 39 -1.294 -12.214 -2.029 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.498 -14.760 -2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.001 -12.619 -4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.668 -13.496 -5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.435 -16.574 -5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.857 -15.874 -5.276 1.00 0.00 H new ATOM 575 N ASP A 40 -0.136 -15.501 -3.457 1.00 0.00 N ATOM 576 CA ASP A 40 1.245 -15.929 -3.607 1.00 0.00 C ATOM 577 C ASP A 40 1.780 -15.447 -4.956 1.00 0.00 C ATOM 578 O ASP A 40 1.246 -15.875 -5.989 1.00 0.00 O ATOM 579 CB ASP A 40 1.354 -17.455 -3.572 1.00 0.00 C ATOM 580 CG ASP A 40 0.179 -18.202 -4.204 1.00 0.00 C ATOM 581 OD1 ASP A 40 -0.459 -17.546 -5.113 1.00 0.00 O ATOM 582 OD2 ASP A 40 -0.110 -19.354 -3.848 1.00 0.00 O ATOM 0 H ASP A 40 -0.821 -16.248 -3.571 1.00 0.00 H new ATOM 0 HA ASP A 40 1.821 -15.507 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.270 -17.750 -4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.451 -17.773 -2.534 1.00 0.00 H new ATOM 587 N GLY A 41 2.806 -14.579 -4.921 1.00 0.00 N ATOM 588 CA GLY A 41 3.406 -14.045 -6.132 1.00 0.00 C ATOM 589 C GLY A 41 2.362 -13.225 -6.894 1.00 0.00 C ATOM 590 O GLY A 41 2.159 -12.055 -6.540 1.00 0.00 O ATOM 0 H GLY A 41 3.230 -14.238 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.264 -13.421 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.775 -14.858 -6.758 1.00 0.00 H new ATOM 594 N TYR A 42 1.732 -13.844 -7.907 1.00 0.00 N ATOM 595 CA TYR A 42 0.733 -13.118 -8.674 1.00 0.00 C ATOM 596 C TYR A 42 1.103 -11.635 -8.709 1.00 0.00 C ATOM 597 O TYR A 42 0.429 -10.849 -8.027 1.00 0.00 O ATOM 598 CB TYR A 42 -0.665 -13.346 -8.070 1.00 0.00 C ATOM 599 CG TYR A 42 -1.414 -14.540 -8.644 1.00 0.00 C ATOM 600 CD1 TYR A 42 -0.927 -15.851 -8.431 1.00 0.00 C ATOM 601 CD2 TYR A 42 -2.602 -14.351 -9.388 1.00 0.00 C ATOM 602 CE1 TYR A 42 -1.619 -16.961 -8.959 1.00 0.00 C ATOM 603 CE2 TYR A 42 -3.294 -15.461 -9.915 1.00 0.00 C ATOM 604 CZ TYR A 42 -2.803 -16.767 -9.703 1.00 0.00 C ATOM 605 OH TYR A 42 -3.469 -17.845 -10.213 1.00 0.00 O ATOM 0 H TYR A 42 1.894 -14.808 -8.198 1.00 0.00 H new ATOM 0 HA TYR A 42 0.709 -13.487 -9.699 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.564 -13.480 -6.993 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.264 -12.449 -8.225 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.022 -16.003 -7.862 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.980 -13.353 -9.553 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.243 -17.960 -8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.201 -15.311 -10.482 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.264 -17.539 -10.698 1.00 0.00 H new ATOM 615 N LYS A 43 2.149 -11.284 -9.481 1.00 0.00 N ATOM 616 CA LYS A 43 2.601 -9.908 -9.587 1.00 0.00 C ATOM 617 C LYS A 43 1.462 -9.044 -10.133 1.00 0.00 C ATOM 618 O LYS A 43 1.344 -8.930 -11.362 1.00 0.00 O ATOM 619 CB LYS A 43 3.885 -9.828 -10.415 1.00 0.00 C ATOM 620 CG LYS A 43 4.731 -11.089 -10.237 1.00 0.00 C ATOM 621 CD LYS A 43 4.764 -11.524 -8.770 1.00 0.00 C ATOM 622 CE LYS A 43 6.180 -11.924 -8.349 1.00 0.00 C ATOM 623 NZ LYS A 43 6.393 -13.365 -8.559 1.00 0.00 N ATOM 0 H LYS A 43 2.690 -11.946 -10.037 1.00 0.00 H new ATOM 0 HA LYS A 43 2.859 -9.514 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.635 -9.699 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.462 -8.953 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.324 -11.894 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.746 -10.903 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.409 -10.710 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.085 -12.364 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.911 -11.355 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.337 -11.676 -7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.359 -13.619 -8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.708 -13.904 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.264 -13.592 -9.566 1.00 0.00 H new ATOM 637 N SER A 44 0.660 -8.461 -9.224 1.00 0.00 N ATOM 638 CA SER A 44 -0.456 -7.614 -9.612 1.00 0.00 C ATOM 639 C SER A 44 -0.184 -6.179 -9.161 1.00 0.00 C ATOM 640 O SER A 44 0.993 -5.828 -8.988 1.00 0.00 O ATOM 641 CB SER A 44 -1.773 -8.117 -9.015 1.00 0.00 C ATOM 642 OG SER A 44 -2.641 -8.652 -10.013 1.00 0.00 O ATOM 0 H SER A 44 0.774 -8.568 -8.216 1.00 0.00 H new ATOM 0 HA SER A 44 -0.553 -7.645 -10.697 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.564 -8.883 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.274 -7.298 -8.500 1.00 0.00 H new ATOM 0 HG SER A 44 -3.470 -8.964 -9.593 1.00 0.00 H new ATOM 648 N LEU A 45 -1.258 -5.388 -8.983 1.00 0.00 N ATOM 649 CA LEU A 45 -1.135 -4.005 -8.556 1.00 0.00 C ATOM 650 C LEU A 45 0.165 -3.419 -9.110 1.00 0.00 C ATOM 651 O LEU A 45 1.238 -3.929 -8.757 1.00 0.00 O ATOM 652 CB LEU A 45 -1.259 -3.901 -7.035 1.00 0.00 C ATOM 653 CG LEU A 45 -2.130 -4.959 -6.359 1.00 0.00 C ATOM 654 CD1 LEU A 45 -1.313 -6.204 -6.011 1.00 0.00 C ATOM 655 CD2 LEU A 45 -2.843 -4.382 -5.134 1.00 0.00 C ATOM 0 H LEU A 45 -2.219 -5.696 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.952 -3.407 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.259 -3.953 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.660 -2.918 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.900 -5.267 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.958 -6.940 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.892 -6.629 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.506 -5.931 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.456 -5.156 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.103 -4.028 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.478 -3.551 -5.441 1.00 0.00 H new ATOM 667 N ASP A 46 0.046 -2.377 -9.952 1.00 0.00 N ATOM 668 CA ASP A 46 1.203 -1.731 -10.547 1.00 0.00 C ATOM 669 C ASP A 46 1.750 -0.681 -9.577 1.00 0.00 C ATOM 670 O ASP A 46 1.557 -0.843 -8.364 1.00 0.00 O ATOM 671 CB ASP A 46 0.830 -1.021 -11.850 1.00 0.00 C ATOM 672 CG ASP A 46 -0.268 0.036 -11.719 1.00 0.00 C ATOM 673 OD1 ASP A 46 -0.088 0.896 -10.773 1.00 0.00 O ATOM 674 OD2 ASP A 46 -1.247 0.038 -12.480 1.00 0.00 O ATOM 0 H ASP A 46 -0.848 -1.972 -10.229 1.00 0.00 H new ATOM 0 HA ASP A 46 1.947 -2.500 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.723 -0.547 -12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.509 -1.769 -12.575 1.00 0.00 H new ATOM 679 N GLU A 47 2.410 0.357 -10.122 1.00 0.00 N ATOM 680 CA GLU A 47 2.977 1.420 -9.310 1.00 0.00 C ATOM 681 C GLU A 47 2.030 2.623 -9.318 1.00 0.00 C ATOM 682 O GLU A 47 2.288 3.570 -10.075 1.00 0.00 O ATOM 683 CB GLU A 47 4.372 1.818 -9.799 1.00 0.00 C ATOM 684 CG GLU A 47 4.332 2.272 -11.260 1.00 0.00 C ATOM 685 CD GLU A 47 5.632 1.913 -11.982 1.00 0.00 C ATOM 686 OE1 GLU A 47 6.646 2.650 -11.678 1.00 0.00 O ATOM 687 OE2 GLU A 47 5.652 0.972 -12.790 1.00 0.00 O ATOM 0 H GLU A 47 2.558 0.472 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 47 3.090 1.057 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.764 2.621 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.052 0.973 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.489 1.803 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.172 3.349 -11.305 1.00 0.00 H new ATOM 694 N GLY A 48 0.972 2.561 -8.491 1.00 0.00 N ATOM 695 CA GLY A 48 -0.001 3.637 -8.404 1.00 0.00 C ATOM 696 C GLY A 48 -1.406 3.041 -8.293 1.00 0.00 C ATOM 697 O GLY A 48 -2.201 3.233 -9.224 1.00 0.00 O ATOM 0 H GLY A 48 0.778 1.770 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.210 4.264 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.067 4.276 -9.284 1.00 0.00 H new ATOM 701 N GLN A 49 -1.677 2.342 -7.177 1.00 0.00 N ATOM 702 CA GLN A 49 -2.973 1.725 -6.950 1.00 0.00 C ATOM 703 C GLN A 49 -3.416 1.992 -5.510 1.00 0.00 C ATOM 704 O GLN A 49 -2.557 1.970 -4.616 1.00 0.00 O ATOM 705 CB GLN A 49 -2.941 0.225 -7.246 1.00 0.00 C ATOM 706 CG GLN A 49 -2.575 -0.039 -8.708 1.00 0.00 C ATOM 707 CD GLN A 49 -3.285 -1.289 -9.234 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.397 -1.513 -10.427 1.00 0.00 O ATOM 709 NE2 GLN A 49 -3.756 -2.085 -8.278 1.00 0.00 N ATOM 0 H GLN A 49 -1.006 2.196 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.696 2.168 -7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.217 -0.263 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.915 -0.213 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.849 0.823 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.496 -0.163 -8.800 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.627 -1.836 -7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.246 -2.944 -8.526 1.00 0.00 H new ATOM 718 N LYS A 50 -4.724 2.236 -5.317 1.00 0.00 N ATOM 719 CA LYS A 50 -5.271 2.503 -3.998 1.00 0.00 C ATOM 720 C LYS A 50 -5.733 1.190 -3.366 1.00 0.00 C ATOM 721 O LYS A 50 -6.582 0.512 -3.966 1.00 0.00 O ATOM 722 CB LYS A 50 -6.369 3.566 -4.079 1.00 0.00 C ATOM 723 CG LYS A 50 -6.609 4.210 -2.713 1.00 0.00 C ATOM 724 CD LYS A 50 -8.055 4.008 -2.257 1.00 0.00 C ATOM 725 CE LYS A 50 -8.892 5.263 -2.509 1.00 0.00 C ATOM 726 NZ LYS A 50 -10.269 5.072 -2.024 1.00 0.00 N ATOM 0 H LYS A 50 -5.415 2.251 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.504 2.918 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.086 4.332 -4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.293 3.113 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.929 3.778 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.386 5.276 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.492 3.163 -2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.074 3.762 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.438 6.117 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.904 5.491 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.626 5.966 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.877 4.774 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.278 4.341 -1.284 1.00 0.00 H new ATOM 740 N VAL A 51 -5.176 0.860 -2.187 1.00 0.00 N ATOM 741 CA VAL A 51 -5.529 -0.362 -1.483 1.00 0.00 C ATOM 742 C VAL A 51 -5.611 -0.075 0.018 1.00 0.00 C ATOM 743 O VAL A 51 -5.127 0.984 0.442 1.00 0.00 O ATOM 744 CB VAL A 51 -4.534 -1.471 -1.827 1.00 0.00 C ATOM 745 CG1 VAL A 51 -3.941 -1.261 -3.223 1.00 0.00 C ATOM 746 CG2 VAL A 51 -3.431 -1.564 -0.771 1.00 0.00 C ATOM 0 H VAL A 51 -4.479 1.432 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.510 -0.716 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.074 -2.418 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.237 -2.063 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.741 -1.267 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.422 -0.303 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.737 -2.360 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.895 -0.616 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.875 -1.782 0.200 1.00 0.00 H new ATOM 756 N SER A 52 -6.209 -1.009 0.778 1.00 0.00 N ATOM 757 CA SER A 52 -6.351 -0.858 2.216 1.00 0.00 C ATOM 758 C SER A 52 -5.307 -1.726 2.921 1.00 0.00 C ATOM 759 O SER A 52 -5.336 -2.951 2.735 1.00 0.00 O ATOM 760 CB SER A 52 -7.758 -1.234 2.684 1.00 0.00 C ATOM 761 OG SER A 52 -8.576 -1.682 1.606 1.00 0.00 O ATOM 0 H SER A 52 -6.599 -1.876 0.408 1.00 0.00 H new ATOM 0 HA SER A 52 -6.192 0.190 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.692 -2.017 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.225 -0.371 3.159 1.00 0.00 H new ATOM 0 HG SER A 52 -9.466 -1.914 1.945 1.00 0.00 H new ATOM 767 N PHE A 53 -4.420 -1.086 3.704 1.00 0.00 N ATOM 768 CA PHE A 53 -3.379 -1.796 4.426 1.00 0.00 C ATOM 769 C PHE A 53 -3.739 -1.844 5.913 1.00 0.00 C ATOM 770 O PHE A 53 -4.894 -1.543 6.249 1.00 0.00 O ATOM 771 CB PHE A 53 -2.032 -1.076 4.215 1.00 0.00 C ATOM 772 CG PHE A 53 -2.110 0.444 4.260 1.00 0.00 C ATOM 773 CD1 PHE A 53 -3.182 1.085 4.924 1.00 0.00 C ATOM 774 CD2 PHE A 53 -1.112 1.224 3.632 1.00 0.00 C ATOM 775 CE1 PHE A 53 -3.253 2.494 4.961 1.00 0.00 C ATOM 776 CE2 PHE A 53 -1.184 2.632 3.670 1.00 0.00 C ATOM 777 CZ PHE A 53 -2.253 3.267 4.334 1.00 0.00 C ATOM 0 H PHE A 53 -4.414 -0.076 3.845 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.292 -2.817 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.332 -1.413 4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.622 -1.377 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.948 0.494 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.292 0.740 3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.073 2.980 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.419 3.224 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.307 4.345 4.363 1.00 0.00 H new ATOM 787 N THR A 54 -2.761 -2.218 6.758 1.00 0.00 N ATOM 788 CA THR A 54 -2.975 -2.305 8.193 1.00 0.00 C ATOM 789 C THR A 54 -1.985 -1.383 8.908 1.00 0.00 C ATOM 790 O THR A 54 -1.613 -1.690 10.050 1.00 0.00 O ATOM 791 CB THR A 54 -2.857 -3.770 8.616 1.00 0.00 C ATOM 792 OG1 THR A 54 -2.883 -3.722 10.041 1.00 0.00 O ATOM 793 CG2 THR A 54 -1.487 -4.366 8.289 1.00 0.00 C ATOM 0 H THR A 54 -1.817 -2.463 6.460 1.00 0.00 H new ATOM 0 HA THR A 54 -3.973 -1.967 8.472 1.00 0.00 H new ATOM 0 HB THR A 54 -3.634 -4.354 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.044 -3.336 10.371 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.457 -5.407 8.610 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.314 -4.313 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.712 -3.804 8.809 1.00 0.00 H new ATOM 801 N ILE A 55 -1.584 -0.290 8.234 1.00 0.00 N ATOM 802 CA ILE A 55 -0.647 0.664 8.800 1.00 0.00 C ATOM 803 C ILE A 55 -0.143 0.139 10.148 1.00 0.00 C ATOM 804 O ILE A 55 -0.804 0.396 11.164 1.00 0.00 O ATOM 805 CB ILE A 55 -1.279 2.055 8.882 1.00 0.00 C ATOM 806 CG1 ILE A 55 -1.448 2.661 7.487 1.00 0.00 C ATOM 807 CG2 ILE A 55 -0.479 2.967 9.812 1.00 0.00 C ATOM 808 CD1 ILE A 55 -2.383 3.873 7.526 1.00 0.00 C ATOM 0 H ILE A 55 -1.903 -0.056 7.294 1.00 0.00 H new ATOM 0 HA ILE A 55 0.223 0.772 8.152 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.275 1.954 9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.475 2.960 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.848 1.910 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.950 3.949 9.852 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.455 2.535 10.813 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.539 3.068 9.436 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.486 4.285 6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.362 3.566 7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.967 4.632 8.189 1.00 0.00 H new ATOM 820 N GLU A 56 0.997 -0.575 10.127 1.00 0.00 N ATOM 821 CA GLU A 56 1.581 -1.128 11.337 1.00 0.00 C ATOM 822 C GLU A 56 3.085 -0.852 11.345 1.00 0.00 C ATOM 823 O GLU A 56 3.608 -0.401 10.315 1.00 0.00 O ATOM 824 CB GLU A 56 1.296 -2.627 11.463 1.00 0.00 C ATOM 825 CG GLU A 56 0.225 -2.893 12.522 1.00 0.00 C ATOM 826 CD GLU A 56 0.543 -4.164 13.314 1.00 0.00 C ATOM 827 OE1 GLU A 56 1.269 -5.028 12.690 1.00 0.00 O ATOM 828 OE2 GLU A 56 0.107 -4.302 14.468 1.00 0.00 O ATOM 0 H GLU A 56 1.524 -0.776 9.277 1.00 0.00 H new ATOM 0 HA GLU A 56 1.123 -0.644 12.200 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.967 -3.021 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.213 -3.154 11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.161 -2.043 13.201 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.749 -2.992 12.043 1.00 0.00 H new ATOM 835 N SER A 57 3.742 -1.125 12.488 1.00 0.00 N ATOM 836 CA SER A 57 5.171 -0.908 12.625 1.00 0.00 C ATOM 837 C SER A 57 5.870 -2.253 12.833 1.00 0.00 C ATOM 838 O SER A 57 5.326 -3.094 13.565 1.00 0.00 O ATOM 839 CB SER A 57 5.487 0.038 13.786 1.00 0.00 C ATOM 840 OG SER A 57 5.385 -0.615 15.049 1.00 0.00 O ATOM 0 H SER A 57 3.293 -1.497 13.325 1.00 0.00 H new ATOM 0 HA SER A 57 5.537 -0.439 11.712 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.494 0.437 13.665 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.802 0.886 13.760 1.00 0.00 H new ATOM 0 HG SER A 57 5.596 0.021 15.764 1.00 0.00 H new ATOM 846 N GLY A 58 7.041 -2.429 12.195 1.00 0.00 N ATOM 847 CA GLY A 58 7.802 -3.661 12.309 1.00 0.00 C ATOM 848 C GLY A 58 8.759 -3.556 13.499 1.00 0.00 C ATOM 849 O GLY A 58 8.368 -3.954 14.607 1.00 0.00 O ATOM 0 H GLY A 58 7.472 -1.724 11.596 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.128 -4.507 12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.362 -3.842 11.392 1.00 0.00 H new ATOM 853 N ALA A 59 9.972 -3.030 13.253 1.00 0.00 N ATOM 854 CA ALA A 59 10.972 -2.875 14.295 1.00 0.00 C ATOM 855 C ALA A 59 11.573 -1.471 14.215 1.00 0.00 C ATOM 856 O ALA A 59 12.618 -1.312 13.569 1.00 0.00 O ATOM 857 CB ALA A 59 12.126 -3.850 14.052 1.00 0.00 C ATOM 0 H ALA A 59 10.273 -2.707 12.333 1.00 0.00 H new ATOM 0 HA ALA A 59 10.496 -3.056 15.259 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.874 -3.731 14.836 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.747 -4.872 14.064 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.580 -3.643 13.083 1.00 0.00 H new ATOM 863 N LYS A 60 10.911 -0.496 14.864 1.00 0.00 N ATOM 864 CA LYS A 60 11.376 0.882 14.866 1.00 0.00 C ATOM 865 C LYS A 60 10.843 1.597 13.623 1.00 0.00 C ATOM 866 O LYS A 60 10.597 2.810 13.702 1.00 0.00 O ATOM 867 CB LYS A 60 12.899 0.932 14.997 1.00 0.00 C ATOM 868 CG LYS A 60 13.554 1.300 13.666 1.00 0.00 C ATOM 869 CD LYS A 60 13.534 2.815 13.445 1.00 0.00 C ATOM 870 CE LYS A 60 14.953 3.375 13.356 1.00 0.00 C ATOM 871 NZ LYS A 60 15.728 2.660 12.331 1.00 0.00 N ATOM 0 H LYS A 60 10.052 -0.649 15.392 1.00 0.00 H new ATOM 0 HA LYS A 60 10.986 1.415 15.733 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.178 1.662 15.757 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.270 -0.036 15.333 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.583 0.940 13.651 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.031 0.803 12.849 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.990 3.045 12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.999 3.298 14.263 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.916 4.438 13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.447 3.283 14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.390 3.319 11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.262 1.886 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.081 2.268 11.617 1.00 0.00 H new ATOM 885 N GLY A 61 10.677 0.846 12.520 1.00 0.00 N ATOM 886 CA GLY A 61 10.178 1.405 11.276 1.00 0.00 C ATOM 887 C GLY A 61 8.754 0.903 11.030 1.00 0.00 C ATOM 888 O GLY A 61 8.279 0.069 11.816 1.00 0.00 O ATOM 0 H GLY A 61 10.885 -0.152 12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.189 2.494 11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.826 1.116 10.448 1.00 0.00 H new ATOM 892 N PRO A 62 8.111 1.409 9.963 1.00 0.00 N ATOM 893 CA PRO A 62 6.757 1.038 9.591 1.00 0.00 C ATOM 894 C PRO A 62 6.725 -0.354 8.956 1.00 0.00 C ATOM 895 O PRO A 62 7.780 -1.004 8.908 1.00 0.00 O ATOM 896 CB PRO A 62 6.294 2.133 8.644 1.00 0.00 C ATOM 897 CG PRO A 62 7.558 2.824 8.157 1.00 0.00 C ATOM 898 CD PRO A 62 8.703 2.390 9.058 1.00 0.00 C ATOM 0 HA PRO A 62 6.090 0.965 10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.731 1.715 7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.635 2.837 9.153 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.765 2.556 7.121 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.437 3.907 8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.518 1.954 8.480 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.117 3.236 9.607 1.00 0.00 H new ATOM 906 N ALA A 63 5.537 -0.776 8.489 1.00 0.00 N ATOM 907 CA ALA A 63 5.373 -2.077 7.865 1.00 0.00 C ATOM 908 C ALA A 63 3.895 -2.299 7.537 1.00 0.00 C ATOM 909 O ALA A 63 3.054 -1.569 8.082 1.00 0.00 O ATOM 910 CB ALA A 63 5.762 -3.177 8.855 1.00 0.00 C ATOM 0 H ALA A 63 4.681 -0.224 8.538 1.00 0.00 H new ATOM 0 HA ALA A 63 5.994 -2.110 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.638 -4.152 8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.803 -3.048 9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.123 -3.116 9.736 1.00 0.00 H new ATOM 916 N ALA A 64 3.612 -3.285 6.668 1.00 0.00 N ATOM 917 CA ALA A 64 2.248 -3.598 6.274 1.00 0.00 C ATOM 918 C ALA A 64 1.926 -5.041 6.666 1.00 0.00 C ATOM 919 O ALA A 64 2.481 -5.519 7.668 1.00 0.00 O ATOM 920 CB ALA A 64 2.124 -3.529 4.751 1.00 0.00 C ATOM 0 H ALA A 64 4.320 -3.874 6.230 1.00 0.00 H new ATOM 0 HA ALA A 64 1.577 -2.889 6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.101 -3.764 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.377 -2.525 4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.805 -4.249 4.297 1.00 0.00 H new ATOM 926 N GLY A 65 1.053 -5.698 5.883 1.00 0.00 N ATOM 927 CA GLY A 65 0.663 -7.073 6.145 1.00 0.00 C ATOM 928 C GLY A 65 -0.862 -7.186 6.089 1.00 0.00 C ATOM 929 O GLY A 65 -1.509 -6.931 7.115 1.00 0.00 O ATOM 0 H GLY A 65 0.608 -5.287 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.116 -7.738 5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.027 -7.386 7.124 1.00 0.00 H new ATOM 933 N ASN A 66 -1.395 -7.559 4.912 1.00 0.00 N ATOM 934 CA ASN A 66 -2.829 -7.704 4.728 1.00 0.00 C ATOM 935 C ASN A 66 -3.368 -6.484 3.977 1.00 0.00 C ATOM 936 O ASN A 66 -4.084 -5.682 4.594 1.00 0.00 O ATOM 937 CB ASN A 66 -3.551 -7.788 6.074 1.00 0.00 C ATOM 938 CG ASN A 66 -3.388 -9.176 6.698 1.00 0.00 C ATOM 939 OD1 ASN A 66 -3.384 -10.192 6.023 1.00 0.00 O ATOM 940 ND2 ASN A 66 -3.254 -9.160 8.020 1.00 0.00 N ATOM 0 H ASN A 66 -0.843 -7.763 4.079 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.006 -8.621 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.154 -7.032 6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.610 -7.569 5.937 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.139 -10.035 8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.266 -8.273 8.523 1.00 0.00 H new ATOM 947 N VAL A 67 -3.019 -6.372 2.684 1.00 0.00 N ATOM 948 CA VAL A 67 -3.465 -5.260 1.860 1.00 0.00 C ATOM 949 C VAL A 67 -4.414 -5.780 0.778 1.00 0.00 C ATOM 950 O VAL A 67 -4.078 -6.786 0.132 1.00 0.00 O ATOM 951 CB VAL A 67 -2.258 -4.515 1.288 1.00 0.00 C ATOM 952 CG1 VAL A 67 -1.910 -3.294 2.144 1.00 0.00 C ATOM 953 CG2 VAL A 67 -1.052 -5.448 1.150 1.00 0.00 C ATOM 0 H VAL A 67 -2.428 -7.045 2.196 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.020 -4.539 2.460 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.525 -4.162 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.048 -2.783 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.761 -2.613 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.673 -3.616 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.208 -4.893 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.785 -5.845 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.303 -6.271 0.481 1.00 0.00 H new ATOM 963 N THR A 68 -5.559 -5.099 0.604 1.00 0.00 N ATOM 964 CA THR A 68 -6.544 -5.491 -0.391 1.00 0.00 C ATOM 965 C THR A 68 -6.652 -4.395 -1.455 1.00 0.00 C ATOM 966 O THR A 68 -6.995 -3.258 -1.096 1.00 0.00 O ATOM 967 CB THR A 68 -7.867 -5.780 0.319 1.00 0.00 C ATOM 968 OG1 THR A 68 -8.861 -5.343 -0.605 1.00 0.00 O ATOM 969 CG2 THR A 68 -8.082 -4.891 1.546 1.00 0.00 C ATOM 0 H THR A 68 -5.816 -4.274 1.146 1.00 0.00 H new ATOM 0 HA THR A 68 -6.248 -6.402 -0.911 1.00 0.00 H new ATOM 0 HB THR A 68 -7.894 -6.827 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.751 -5.495 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.036 -5.138 2.012 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.276 -5.056 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.088 -3.845 1.241 1.00 0.00 H new ATOM 977 N SER A 69 -6.364 -4.752 -2.718 1.00 0.00 N ATOM 978 CA SER A 69 -6.428 -3.806 -3.819 1.00 0.00 C ATOM 979 C SER A 69 -7.792 -3.113 -3.811 1.00 0.00 C ATOM 980 O SER A 69 -8.774 -3.749 -3.400 1.00 0.00 O ATOM 981 CB SER A 69 -6.192 -4.495 -5.164 1.00 0.00 C ATOM 982 OG SER A 69 -7.363 -5.152 -5.641 1.00 0.00 O ATOM 0 H SER A 69 -6.085 -5.694 -2.991 1.00 0.00 H new ATOM 0 HA SER A 69 -5.638 -3.067 -3.686 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.867 -3.757 -5.897 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.385 -5.221 -5.063 1.00 0.00 H new ATOM 0 HG SER A 69 -7.171 -5.578 -6.502 1.00 0.00 H new ATOM 988 N LEU A 70 -7.826 -1.844 -4.256 1.00 0.00 N ATOM 989 CA LEU A 70 -9.057 -1.075 -4.299 1.00 0.00 C ATOM 990 C LEU A 70 -8.890 0.096 -5.269 1.00 0.00 C ATOM 991 O LEU A 70 -9.672 0.243 -6.208 1.00 0.00 O ATOM 992 CB LEU A 70 -9.473 -0.650 -2.890 1.00 0.00 C ATOM 993 CG LEU A 70 -9.436 0.853 -2.603 1.00 0.00 C ATOM 994 CD1 LEU A 70 -10.649 1.557 -3.213 1.00 0.00 C ATOM 995 CD2 LEU A 70 -9.311 1.122 -1.102 1.00 0.00 C ATOM 0 H LEU A 70 -7.005 -1.339 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.875 -1.688 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.486 -1.009 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.823 -1.152 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.549 1.270 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.598 2.624 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.652 1.407 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.563 1.142 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.287 2.197 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.165 0.688 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.392 0.672 -0.727 1.00 0.00 H new