USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 647 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 44 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0158) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 GLN : amide:sc= 0.205 X(o=0.3,f=0.39) USER MOD Set 2.2: A 14 TYR OH : rot 15:sc= 0.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0214 (180deg=-0.257) USER MOD Single : A 5 MET CE :methyl -124:sc= -7.75! (180deg=-18.2!) USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= -0.0616 (180deg=-0.429) USER MOD Single : A 15 SER OG : rot 38:sc= 1.03 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 18 THR OG1 : rot -26:sc= -1.38! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.649 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -66:sc= 0.704 USER MOD Single : A 43 GLN : amide:sc= -6.35! C(o=-6.4!,f=-7.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.31) USER MOD Single : A 60 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.831) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= -0.0216 (180deg=-0.0983) USER MOD Single : A 67 LYS NZ :NH3+ -130:sc= -0.467 (180deg=-2.08!) USER MOD Single : A 69 ASN : amide:sc= -2.96 K(o=-3,f=-6.7!) USER MOD Single : A 70 THR OG1 : rot -79:sc= -0.0645 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 154:sc= -0.53 (180deg=-2.31!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 30:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 3.504 -0.533 -1.013 1.00 0.00 C ATOM 4 O MET A 1 4.097 -0.311 0.043 1.00 0.00 O ATOM 5 CB MET A 1 2.157 1.411 -1.827 1.00 0.00 C ATOM 6 CG MET A 1 0.794 2.065 -1.988 1.00 0.00 C ATOM 7 SD MET A 1 0.880 3.649 -2.846 1.00 0.00 S ATOM 8 CE MET A 1 0.066 4.719 -1.662 1.00 0.00 C ATOM 0 H1 MET A 1 0.317 0.101 -0.215 1.00 0.00 H new ATOM 0 H2 MET A 1 1.488 -0.895 0.506 1.00 0.00 H new ATOM 0 H3 MET A 1 1.637 0.794 0.596 1.00 0.00 H new ATOM 0 HA MET A 1 1.587 -0.658 -1.950 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.776 2.035 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.649 1.371 -2.799 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.136 1.393 -2.539 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.348 2.213 -1.005 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.040 5.737 -2.050 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.952 4.368 -1.495 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.614 4.703 -0.720 1.00 0.00 H new ATOM 18 N ALA A 2 4.035 -1.236 -2.007 1.00 0.00 N ATOM 19 CA ALA A 2 5.377 -1.798 -1.914 1.00 0.00 C ATOM 20 C ALA A 2 6.340 -1.080 -2.853 1.00 0.00 C ATOM 21 O ALA A 2 6.400 -1.381 -4.046 1.00 0.00 O ATOM 22 CB ALA A 2 5.348 -3.288 -2.222 1.00 0.00 C ATOM 0 H ALA A 2 3.556 -1.430 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 2 5.733 -1.656 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.357 -3.694 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.700 -3.795 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.967 -3.444 -3.231 1.00 0.00 H new ATOM 28 N LEU A 3 7.091 -0.128 -2.309 1.00 0.00 N ATOM 29 CA LEU A 3 8.051 0.634 -3.099 1.00 0.00 C ATOM 30 C LEU A 3 9.416 -0.045 -3.100 1.00 0.00 C ATOM 31 O LEU A 3 9.846 -0.633 -2.107 1.00 0.00 O ATOM 32 CB LEU A 3 8.177 2.057 -2.550 1.00 0.00 C ATOM 33 CG LEU A 3 6.863 2.789 -2.275 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.346 2.451 -0.885 1.00 0.00 C ATOM 35 CD2 LEU A 3 7.048 4.292 -2.426 1.00 0.00 C ATOM 0 H LEU A 3 7.053 0.134 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 3 7.687 0.677 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.749 2.018 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.758 2.648 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 3 6.125 2.459 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.410 2.981 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.175 1.377 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.082 2.753 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.103 4.797 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.801 4.639 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.373 4.518 -3.441 1.00 0.00 H new ATOM 47 N PRO A 4 10.117 0.037 -4.241 1.00 0.00 N ATOM 48 CA PRO A 4 11.446 -0.562 -4.399 1.00 0.00 C ATOM 49 C PRO A 4 12.509 0.161 -3.579 1.00 0.00 C ATOM 50 O PRO A 4 13.280 0.959 -4.111 1.00 0.00 O ATOM 51 CB PRO A 4 11.729 -0.409 -5.895 1.00 0.00 C ATOM 52 CG PRO A 4 10.903 0.757 -6.319 1.00 0.00 C ATOM 53 CD PRO A 4 9.667 0.721 -5.465 1.00 0.00 C ATOM 0 HA PRO A 4 11.472 -1.594 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.788 -0.233 -6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.454 -1.310 -6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.446 1.692 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.649 0.691 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.297 1.724 -5.252 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.857 0.179 -5.953 1.00 0.00 H new ATOM 61 N MET A 5 12.544 -0.124 -2.281 1.00 0.00 N ATOM 62 CA MET A 5 13.515 0.498 -1.389 1.00 0.00 C ATOM 63 C MET A 5 14.367 -0.557 -0.691 1.00 0.00 C ATOM 64 O MET A 5 14.051 -1.746 -0.727 1.00 0.00 O ATOM 65 CB MET A 5 12.801 1.363 -0.348 1.00 0.00 C ATOM 66 CG MET A 5 11.500 1.969 -0.851 1.00 0.00 C ATOM 67 SD MET A 5 10.731 3.062 0.359 1.00 0.00 S ATOM 68 CE MET A 5 9.817 4.166 -0.716 1.00 0.00 C ATOM 0 H MET A 5 11.912 -0.781 -1.824 1.00 0.00 H new ATOM 0 HA MET A 5 14.170 1.129 -1.989 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.593 0.758 0.535 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.469 2.165 -0.034 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.694 2.527 -1.767 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.805 1.169 -1.106 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.112 5.196 -0.516 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.033 3.922 -1.756 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.749 4.052 -0.531 1.00 0.00 H new ATOM 78 N ILE A 6 15.449 -0.114 -0.059 1.00 0.00 N ATOM 79 CA ILE A 6 16.346 -1.021 0.647 1.00 0.00 C ATOM 80 C ILE A 6 16.291 -0.787 2.153 1.00 0.00 C ATOM 81 O ILE A 6 16.333 0.353 2.617 1.00 0.00 O ATOM 82 CB ILE A 6 17.800 -0.861 0.166 1.00 0.00 C ATOM 83 CG1 ILE A 6 17.958 -1.423 -1.248 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.754 -1.555 1.127 1.00 0.00 C ATOM 85 CD1 ILE A 6 17.435 -0.500 -2.327 1.00 0.00 C ATOM 0 H ILE A 6 15.726 0.867 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 6 16.009 -2.034 0.427 1.00 0.00 H new ATOM 0 HB ILE A 6 18.045 0.201 0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.013 -1.625 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.434 -2.377 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.778 -1.434 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.657 -1.113 2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.511 -2.616 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.580 -0.963 -3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.373 -0.317 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 6 17.976 0.446 -2.290 1.00 0.00 H new ATOM 97 N VAL A 7 16.199 -1.874 2.912 1.00 0.00 N ATOM 98 CA VAL A 7 16.141 -1.788 4.366 1.00 0.00 C ATOM 99 C VAL A 7 17.487 -2.138 4.991 1.00 0.00 C ATOM 100 O VAL A 7 18.110 -3.138 4.632 1.00 0.00 O ATOM 101 CB VAL A 7 15.062 -2.723 4.942 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.413 -4.178 4.667 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.888 -2.481 6.434 1.00 0.00 C ATOM 0 H VAL A 7 16.163 -2.825 2.544 1.00 0.00 H new ATOM 0 HA VAL A 7 15.886 -0.757 4.612 1.00 0.00 H new ATOM 0 HB VAL A 7 14.115 -2.503 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.639 -4.824 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.482 -4.339 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.370 -4.415 5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.121 -3.151 6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.831 -2.672 6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.586 -1.447 6.602 1.00 0.00 H new ATOM 113 N LYS A 8 17.932 -1.308 5.929 1.00 0.00 N ATOM 114 CA LYS A 8 19.204 -1.529 6.606 1.00 0.00 C ATOM 115 C LYS A 8 19.100 -1.176 8.086 1.00 0.00 C ATOM 116 O LYS A 8 19.543 -0.109 8.511 1.00 0.00 O ATOM 117 CB LYS A 8 20.307 -0.698 5.948 1.00 0.00 C ATOM 118 CG LYS A 8 21.693 -0.978 6.503 1.00 0.00 C ATOM 119 CD LYS A 8 22.778 -0.391 5.616 1.00 0.00 C ATOM 120 CE LYS A 8 23.017 1.079 5.927 1.00 0.00 C ATOM 121 NZ LYS A 8 23.611 1.271 7.279 1.00 0.00 N ATOM 0 H LYS A 8 17.430 -0.476 6.237 1.00 0.00 H new ATOM 0 HA LYS A 8 19.455 -2.586 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.308 -0.894 4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.080 0.360 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.776 -0.559 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.839 -2.054 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.704 -0.949 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.493 -0.501 4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.681 1.506 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.074 1.621 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.109 2.183 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.856 1.262 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.283 0.502 7.475 1.00 0.00 H new ATOM 135 N TRP A 9 18.515 -2.078 8.866 1.00 0.00 N ATOM 136 CA TRP A 9 18.356 -1.861 10.299 1.00 0.00 C ATOM 137 C TRP A 9 19.617 -2.264 11.055 1.00 0.00 C ATOM 138 O TRP A 9 19.561 -3.048 12.001 1.00 0.00 O ATOM 139 CB TRP A 9 17.157 -2.652 10.825 1.00 0.00 C ATOM 140 CG TRP A 9 16.760 -2.273 12.220 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.866 -1.038 12.795 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.196 -3.134 13.215 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.402 -1.081 14.087 1.00 0.00 N ATOM 144 CE2 TRP A 9 15.985 -2.355 14.369 1.00 0.00 C ATOM 145 CE3 TRP A 9 15.848 -4.487 13.242 1.00 0.00 C ATOM 146 CZ2 TRP A 9 15.442 -2.886 15.536 1.00 0.00 C ATOM 147 CZ3 TRP A 9 15.309 -5.012 14.402 1.00 0.00 C ATOM 148 CH2 TRP A 9 15.110 -4.213 15.535 1.00 0.00 C ATOM 0 H TRP A 9 18.143 -2.966 8.530 1.00 0.00 H new ATOM 0 HA TRP A 9 18.182 -0.798 10.463 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.308 -2.497 10.159 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.393 -3.716 10.799 1.00 0.00 H new ATOM 0 HD1 TRP A 9 17.257 -0.158 12.306 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.373 -0.292 14.732 1.00 0.00 H new ATOM 0 HE3 TRP A 9 15.997 -5.111 12.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.288 -2.272 16.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 15.037 -6.057 14.435 1.00 0.00 H new ATOM 0 HH2 TRP A 9 14.686 -4.653 16.425 1.00 0.00 H new ATOM 159 N GLY A 10 20.755 -1.722 10.630 1.00 0.00 N ATOM 160 CA GLY A 10 22.014 -2.038 11.279 1.00 0.00 C ATOM 161 C GLY A 10 22.398 -3.496 11.120 1.00 0.00 C ATOM 162 O GLY A 10 23.054 -3.870 10.149 1.00 0.00 O ATOM 0 H GLY A 10 20.827 -1.070 9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.802 -1.410 10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.943 -1.798 12.340 1.00 0.00 H new ATOM 166 N GLY A 11 21.990 -4.322 12.079 1.00 0.00 N ATOM 167 CA GLY A 11 22.306 -5.737 12.023 1.00 0.00 C ATOM 168 C GLY A 11 21.658 -6.430 10.841 1.00 0.00 C ATOM 169 O GLY A 11 22.319 -7.163 10.106 1.00 0.00 O ATOM 0 H GLY A 11 21.446 -4.036 12.893 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.387 -5.863 11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.978 -6.216 12.946 1.00 0.00 H new ATOM 173 N GLN A 12 20.362 -6.200 10.660 1.00 0.00 N ATOM 174 CA GLN A 12 19.625 -6.810 9.559 1.00 0.00 C ATOM 175 C GLN A 12 19.455 -5.826 8.406 1.00 0.00 C ATOM 176 O GLN A 12 18.812 -4.787 8.555 1.00 0.00 O ATOM 177 CB GLN A 12 18.255 -7.292 10.041 1.00 0.00 C ATOM 178 CG GLN A 12 18.330 -8.423 11.053 1.00 0.00 C ATOM 179 CD GLN A 12 17.149 -8.434 12.004 1.00 0.00 C ATOM 180 OE1 GLN A 12 17.305 -8.228 13.208 1.00 0.00 O ATOM 181 NE2 GLN A 12 15.959 -8.675 11.467 1.00 0.00 N ATOM 0 H GLN A 12 19.801 -5.596 11.261 1.00 0.00 H new ATOM 0 HA GLN A 12 20.198 -7.665 9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.720 -6.453 10.485 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.672 -7.623 9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.375 -9.376 10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.253 -8.332 11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.876 -8.840 10.464 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.128 -8.695 12.058 1.00 0.00 H new ATOM 190 N GLU A 13 20.035 -6.161 7.258 1.00 0.00 N ATOM 191 CA GLU A 13 19.947 -5.306 6.081 1.00 0.00 C ATOM 192 C GLU A 13 19.485 -6.101 4.863 1.00 0.00 C ATOM 193 O GLU A 13 20.268 -6.826 4.248 1.00 0.00 O ATOM 194 CB GLU A 13 21.302 -4.655 5.794 1.00 0.00 C ATOM 195 CG GLU A 13 21.312 -3.796 4.541 1.00 0.00 C ATOM 196 CD GLU A 13 22.677 -3.203 4.250 1.00 0.00 C ATOM 197 OE1 GLU A 13 23.613 -3.456 5.038 1.00 0.00 O ATOM 198 OE2 GLU A 13 22.810 -2.487 3.236 1.00 0.00 O ATOM 0 H GLU A 13 20.570 -7.018 7.118 1.00 0.00 H new ATOM 0 HA GLU A 13 19.213 -4.527 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.588 -4.041 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.057 -5.435 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.993 -4.398 3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.586 -2.990 4.652 1.00 0.00 H new ATOM 205 N TYR A 14 18.209 -5.961 4.522 1.00 0.00 N ATOM 206 CA TYR A 14 17.641 -6.668 3.381 1.00 0.00 C ATOM 207 C TYR A 14 17.371 -5.709 2.225 1.00 0.00 C ATOM 208 O TYR A 14 17.727 -4.532 2.284 1.00 0.00 O ATOM 209 CB TYR A 14 16.346 -7.374 3.785 1.00 0.00 C ATOM 210 CG TYR A 14 16.433 -8.081 5.119 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.384 -9.068 5.343 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.563 -7.762 6.154 1.00 0.00 C ATOM 213 CE1 TYR A 14 17.467 -9.717 6.560 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.639 -8.404 7.375 1.00 0.00 C ATOM 215 CZ TYR A 14 16.592 -9.382 7.573 1.00 0.00 C ATOM 216 OH TYR A 14 16.672 -10.025 8.786 1.00 0.00 O ATOM 0 H TYR A 14 17.548 -5.364 5.020 1.00 0.00 H new ATOM 0 HA TYR A 14 18.365 -7.413 3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 14 15.539 -6.642 3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.082 -8.099 3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.070 -9.333 4.552 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.814 -6.999 6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.213 -10.482 6.718 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.956 -8.142 8.170 1.00 0.00 H new ATOM 0 HH TYR A 14 17.526 -10.502 8.848 1.00 0.00 H new ATOM 226 N SER A 15 16.738 -6.222 1.175 1.00 0.00 N ATOM 227 CA SER A 15 16.422 -5.413 0.003 1.00 0.00 C ATOM 228 C SER A 15 14.938 -5.508 -0.338 1.00 0.00 C ATOM 229 O SER A 15 14.458 -6.548 -0.790 1.00 0.00 O ATOM 230 CB SER A 15 17.262 -5.863 -1.194 1.00 0.00 C ATOM 231 OG SER A 15 16.912 -7.175 -1.598 1.00 0.00 O ATOM 0 H SER A 15 16.434 -7.194 1.112 1.00 0.00 H new ATOM 0 HA SER A 15 16.658 -4.374 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.116 -5.172 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.320 -5.829 -0.933 1.00 0.00 H new ATOM 0 HG SER A 15 15.943 -7.294 -1.518 1.00 0.00 H new ATOM 237 N VAL A 16 14.216 -4.414 -0.118 1.00 0.00 N ATOM 238 CA VAL A 16 12.787 -4.371 -0.403 1.00 0.00 C ATOM 239 C VAL A 16 12.520 -3.813 -1.796 1.00 0.00 C ATOM 240 O VAL A 16 11.564 -3.065 -2.006 1.00 0.00 O ATOM 241 CB VAL A 16 12.033 -3.516 0.634 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.537 -3.779 0.557 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.560 -3.790 2.034 1.00 0.00 C ATOM 0 H VAL A 16 14.597 -3.545 0.257 1.00 0.00 H new ATOM 0 HA VAL A 16 12.423 -5.397 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 16 12.204 -2.464 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.021 -3.166 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.174 -3.527 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.342 -4.832 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.016 -3.178 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.421 -4.844 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.621 -3.545 2.078 1.00 0.00 H new ATOM 253 N THR A 17 13.371 -4.181 -2.748 1.00 0.00 N ATOM 254 CA THR A 17 13.229 -3.717 -4.123 1.00 0.00 C ATOM 255 C THR A 17 12.003 -4.333 -4.786 1.00 0.00 C ATOM 256 O THR A 17 11.384 -5.250 -4.244 1.00 0.00 O ATOM 257 CB THR A 17 14.476 -4.054 -4.961 1.00 0.00 C ATOM 258 OG1 THR A 17 14.296 -3.604 -6.309 1.00 0.00 O ATOM 259 CG2 THR A 17 14.747 -5.550 -4.952 1.00 0.00 C ATOM 0 H THR A 17 14.167 -4.800 -2.592 1.00 0.00 H new ATOM 0 HA THR A 17 13.111 -2.634 -4.081 1.00 0.00 H new ATOM 0 HB THR A 17 15.332 -3.544 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.094 -3.820 -6.835 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.633 -5.763 -5.551 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.913 -5.884 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.890 -6.078 -5.371 1.00 0.00 H new ATOM 267 N THR A 18 11.655 -3.825 -5.965 1.00 0.00 N ATOM 268 CA THR A 18 10.502 -4.325 -6.703 1.00 0.00 C ATOM 269 C THR A 18 10.897 -5.468 -7.631 1.00 0.00 C ATOM 270 O THR A 18 10.041 -6.101 -8.251 1.00 0.00 O ATOM 271 CB THR A 18 9.840 -3.210 -7.533 1.00 0.00 C ATOM 272 OG1 THR A 18 8.660 -3.710 -8.173 1.00 0.00 O ATOM 273 CG2 THR A 18 10.802 -2.672 -8.582 1.00 0.00 C ATOM 0 H THR A 18 12.156 -3.067 -6.429 1.00 0.00 H new ATOM 0 HA THR A 18 9.788 -4.690 -5.965 1.00 0.00 H new ATOM 0 HB THR A 18 9.571 -2.397 -6.859 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.742 -4.678 -8.300 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.312 -1.885 -9.156 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.686 -2.266 -8.091 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.098 -3.479 -9.252 1.00 0.00 H new ATOM 281 N LEU A 19 12.196 -5.729 -7.721 1.00 0.00 N ATOM 282 CA LEU A 19 12.704 -6.798 -8.573 1.00 0.00 C ATOM 283 C LEU A 19 12.478 -6.474 -10.046 1.00 0.00 C ATOM 284 O LEU A 19 12.026 -5.382 -10.390 1.00 0.00 O ATOM 285 CB LEU A 19 12.027 -8.124 -8.221 1.00 0.00 C ATOM 286 CG LEU A 19 11.773 -8.373 -6.734 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.820 -9.543 -6.544 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.084 -8.627 -6.004 1.00 0.00 C ATOM 0 H LEU A 19 12.917 -5.215 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 19 13.776 -6.888 -8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.073 -8.172 -8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.643 -8.937 -8.605 1.00 0.00 H new ATOM 0 HG LEU A 19 11.311 -7.482 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.651 -9.705 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.871 -9.322 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.254 -10.441 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.884 -8.802 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.574 -9.502 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.734 -7.759 -6.111 1.00 0.00 H new ATOM 300 N SER A 20 12.794 -7.431 -10.913 1.00 0.00 N ATOM 301 CA SER A 20 12.626 -7.247 -12.350 1.00 0.00 C ATOM 302 C SER A 20 11.150 -7.275 -12.733 1.00 0.00 C ATOM 303 O SER A 20 10.314 -7.783 -11.986 1.00 0.00 O ATOM 304 CB SER A 20 13.384 -8.333 -13.116 1.00 0.00 C ATOM 305 OG SER A 20 14.775 -8.265 -12.855 1.00 0.00 O ATOM 0 H SER A 20 13.168 -8.342 -10.645 1.00 0.00 H new ATOM 0 HA SER A 20 13.034 -6.272 -12.617 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.005 -9.315 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.206 -8.220 -14.185 1.00 0.00 H new ATOM 0 HG SER A 20 15.236 -8.970 -13.355 1.00 0.00 H new ATOM 311 N GLU A 21 10.838 -6.725 -13.902 1.00 0.00 N ATOM 312 CA GLU A 21 9.462 -6.686 -14.384 1.00 0.00 C ATOM 313 C GLU A 21 8.867 -8.090 -14.447 1.00 0.00 C ATOM 314 O GLU A 21 7.695 -8.294 -14.132 1.00 0.00 O ATOM 315 CB GLU A 21 9.401 -6.033 -15.766 1.00 0.00 C ATOM 316 CG GLU A 21 10.275 -6.718 -16.803 1.00 0.00 C ATOM 317 CD GLU A 21 10.364 -5.936 -18.099 1.00 0.00 C ATOM 318 OE1 GLU A 21 10.049 -4.728 -18.087 1.00 0.00 O ATOM 319 OE2 GLU A 21 10.750 -6.534 -19.126 1.00 0.00 O ATOM 0 H GLU A 21 11.518 -6.301 -14.532 1.00 0.00 H new ATOM 0 HA GLU A 21 8.875 -6.092 -13.683 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.368 -6.036 -16.115 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.705 -4.990 -15.679 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.277 -6.854 -16.396 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.877 -7.712 -17.009 1.00 0.00 H new ATOM 326 N ASP A 22 9.684 -9.055 -14.856 1.00 0.00 N ATOM 327 CA ASP A 22 9.241 -10.440 -14.960 1.00 0.00 C ATOM 328 C ASP A 22 8.751 -10.957 -13.611 1.00 0.00 C ATOM 329 O ASP A 22 7.829 -11.770 -13.544 1.00 0.00 O ATOM 330 CB ASP A 22 10.377 -11.324 -15.477 1.00 0.00 C ATOM 331 CG ASP A 22 9.869 -12.585 -16.148 1.00 0.00 C ATOM 332 OD1 ASP A 22 9.432 -12.503 -17.315 1.00 0.00 O ATOM 333 OD2 ASP A 22 9.909 -13.655 -15.506 1.00 0.00 O ATOM 0 H ASP A 22 10.657 -8.903 -15.121 1.00 0.00 H new ATOM 0 HA ASP A 22 8.412 -10.478 -15.666 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.981 -10.757 -16.185 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.029 -11.595 -14.647 1.00 0.00 H new ATOM 338 N ASP A 23 9.375 -10.480 -12.539 1.00 0.00 N ATOM 339 CA ASP A 23 9.003 -10.894 -11.191 1.00 0.00 C ATOM 340 C ASP A 23 7.915 -9.987 -10.625 1.00 0.00 C ATOM 341 O ASP A 23 7.415 -9.095 -11.312 1.00 0.00 O ATOM 342 CB ASP A 23 10.227 -10.877 -10.274 1.00 0.00 C ATOM 343 CG ASP A 23 11.351 -11.752 -10.791 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.055 -12.829 -11.349 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.527 -11.361 -10.638 1.00 0.00 O ATOM 0 H ASP A 23 10.140 -9.807 -12.577 1.00 0.00 H new ATOM 0 HA ASP A 23 8.612 -11.910 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.586 -9.853 -10.171 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.936 -11.214 -9.279 1.00 0.00 H new ATOM 350 N THR A 24 7.551 -10.222 -9.368 1.00 0.00 N ATOM 351 CA THR A 24 6.520 -9.428 -8.711 1.00 0.00 C ATOM 352 C THR A 24 6.801 -9.290 -7.219 1.00 0.00 C ATOM 353 O THR A 24 7.638 -10.003 -6.666 1.00 0.00 O ATOM 354 CB THR A 24 5.124 -10.049 -8.903 1.00 0.00 C ATOM 355 OG1 THR A 24 5.239 -11.464 -9.093 1.00 0.00 O ATOM 356 CG2 THR A 24 4.415 -9.429 -10.098 1.00 0.00 C ATOM 0 H THR A 24 7.955 -10.955 -8.785 1.00 0.00 H new ATOM 0 HA THR A 24 6.537 -8.442 -9.175 1.00 0.00 H new ATOM 0 HB THR A 24 4.536 -9.849 -8.007 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.605 -11.754 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.431 -9.884 -10.213 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.303 -8.357 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.003 -9.602 -11.000 1.00 0.00 H new ATOM 364 N VAL A 25 6.095 -8.368 -6.571 1.00 0.00 N ATOM 365 CA VAL A 25 6.268 -8.138 -5.142 1.00 0.00 C ATOM 366 C VAL A 25 5.959 -9.398 -4.341 1.00 0.00 C ATOM 367 O VAL A 25 6.457 -9.578 -3.229 1.00 0.00 O ATOM 368 CB VAL A 25 5.365 -6.993 -4.645 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.385 -6.918 -3.126 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.798 -5.670 -5.258 1.00 0.00 C ATOM 0 H VAL A 25 5.398 -7.769 -7.013 1.00 0.00 H new ATOM 0 HA VAL A 25 7.311 -7.861 -4.990 1.00 0.00 H new ATOM 0 HB VAL A 25 4.342 -7.197 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.742 -6.103 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.024 -7.859 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.404 -6.738 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.150 -4.872 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.829 -5.457 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.727 -5.731 -6.344 1.00 0.00 H new ATOM 380 N LEU A 26 5.135 -10.269 -4.913 1.00 0.00 N ATOM 381 CA LEU A 26 4.759 -11.514 -4.254 1.00 0.00 C ATOM 382 C LEU A 26 5.981 -12.397 -4.020 1.00 0.00 C ATOM 383 O LEU A 26 6.078 -13.084 -3.002 1.00 0.00 O ATOM 384 CB LEU A 26 3.726 -12.267 -5.093 1.00 0.00 C ATOM 385 CG LEU A 26 4.173 -12.682 -6.495 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.799 -14.068 -6.467 1.00 0.00 C ATOM 387 CD2 LEU A 26 2.998 -12.645 -7.462 1.00 0.00 C ATOM 0 H LEU A 26 4.714 -10.135 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 26 4.322 -11.266 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.429 -13.163 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.838 -11.642 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 26 4.925 -11.973 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.111 -14.347 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.666 -14.062 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.069 -14.790 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.334 -12.943 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.223 -13.331 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.593 -11.634 -7.505 1.00 0.00 H new ATOM 399 N ASP A 27 6.913 -12.371 -4.966 1.00 0.00 N ATOM 400 CA ASP A 27 8.131 -13.166 -4.862 1.00 0.00 C ATOM 401 C ASP A 27 8.931 -12.776 -3.623 1.00 0.00 C ATOM 402 O ASP A 27 9.049 -13.554 -2.676 1.00 0.00 O ATOM 403 CB ASP A 27 8.990 -12.989 -6.115 1.00 0.00 C ATOM 404 CG ASP A 27 10.008 -14.101 -6.281 1.00 0.00 C ATOM 405 OD1 ASP A 27 10.802 -14.323 -5.344 1.00 0.00 O ATOM 406 OD2 ASP A 27 10.009 -14.749 -7.348 1.00 0.00 O ATOM 0 H ASP A 27 6.848 -11.808 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 27 7.844 -14.214 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.345 -12.957 -6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.508 -12.031 -6.065 1.00 0.00 H new ATOM 411 N LEU A 28 9.479 -11.566 -3.636 1.00 0.00 N ATOM 412 CA LEU A 28 10.268 -11.071 -2.514 1.00 0.00 C ATOM 413 C LEU A 28 9.509 -11.231 -1.201 1.00 0.00 C ATOM 414 O LEU A 28 10.100 -11.517 -0.159 1.00 0.00 O ATOM 415 CB LEU A 28 10.633 -9.601 -2.729 1.00 0.00 C ATOM 416 CG LEU A 28 9.538 -8.584 -2.407 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.609 -8.167 -0.946 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.653 -7.369 -3.316 1.00 0.00 C ATOM 0 H LEU A 28 9.391 -10.909 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 28 11.183 -11.661 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.506 -9.371 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.929 -9.469 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 28 8.570 -9.054 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.822 -7.443 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.476 -9.043 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.580 -7.716 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.865 -6.656 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.626 -6.898 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.551 -7.681 -4.355 1.00 0.00 H new ATOM 430 N LYS A 29 8.194 -11.047 -1.258 1.00 0.00 N ATOM 431 CA LYS A 29 7.351 -11.175 -0.075 1.00 0.00 C ATOM 432 C LYS A 29 7.584 -12.514 0.618 1.00 0.00 C ATOM 433 O LYS A 29 7.818 -12.565 1.825 1.00 0.00 O ATOM 434 CB LYS A 29 5.876 -11.036 -0.457 1.00 0.00 C ATOM 435 CG LYS A 29 4.961 -10.787 0.729 1.00 0.00 C ATOM 436 CD LYS A 29 4.583 -12.084 1.425 1.00 0.00 C ATOM 437 CE LYS A 29 3.284 -11.941 2.202 1.00 0.00 C ATOM 438 NZ LYS A 29 3.176 -12.951 3.292 1.00 0.00 N ATOM 0 H LYS A 29 7.689 -10.809 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 29 7.617 -10.377 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.769 -10.215 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.555 -11.943 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.456 -10.124 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.058 -10.277 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.480 -12.878 0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.383 -12.381 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.224 -10.939 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.440 -12.049 1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.277 -12.821 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.208 -13.907 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.968 -12.831 3.956 1.00 0.00 H new ATOM 452 N GLN A 30 7.519 -13.593 -0.155 1.00 0.00 N ATOM 453 CA GLN A 30 7.724 -14.932 0.386 1.00 0.00 C ATOM 454 C GLN A 30 9.158 -15.107 0.877 1.00 0.00 C ATOM 455 O GLN A 30 9.417 -15.871 1.807 1.00 0.00 O ATOM 456 CB GLN A 30 7.403 -15.987 -0.673 1.00 0.00 C ATOM 457 CG GLN A 30 5.930 -16.052 -1.040 1.00 0.00 C ATOM 458 CD GLN A 30 5.646 -17.054 -2.143 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.510 -17.344 -2.970 1.00 0.00 O ATOM 460 NE2 GLN A 30 4.431 -17.588 -2.160 1.00 0.00 N ATOM 0 H GLN A 30 7.326 -13.567 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 30 7.051 -15.061 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.984 -15.777 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.722 -16.964 -0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.351 -16.317 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.595 -15.064 -1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.746 -17.318 -1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.183 -18.268 -2.879 1.00 0.00 H new ATOM 469 N PHE A 31 10.085 -14.394 0.247 1.00 0.00 N ATOM 470 CA PHE A 31 11.493 -14.472 0.619 1.00 0.00 C ATOM 471 C PHE A 31 11.759 -13.698 1.907 1.00 0.00 C ATOM 472 O PHE A 31 12.675 -14.024 2.663 1.00 0.00 O ATOM 473 CB PHE A 31 12.371 -13.925 -0.509 1.00 0.00 C ATOM 474 CG PHE A 31 12.785 -14.969 -1.506 1.00 0.00 C ATOM 475 CD1 PHE A 31 11.834 -15.678 -2.222 1.00 0.00 C ATOM 476 CD2 PHE A 31 14.126 -15.240 -1.728 1.00 0.00 C ATOM 477 CE1 PHE A 31 12.213 -16.639 -3.140 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.510 -16.201 -2.645 1.00 0.00 C ATOM 479 CZ PHE A 31 13.552 -16.900 -3.353 1.00 0.00 C ATOM 0 H PHE A 31 9.887 -13.756 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 31 11.741 -15.520 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.831 -13.133 -1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.264 -13.472 -0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.785 -15.477 -2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.879 -14.695 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.462 -17.186 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.558 -16.405 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.850 -17.649 -4.072 1.00 0.00 H new ATOM 489 N LEU A 32 10.952 -12.671 2.150 1.00 0.00 N ATOM 490 CA LEU A 32 11.099 -11.849 3.346 1.00 0.00 C ATOM 491 C LEU A 32 10.468 -12.531 4.556 1.00 0.00 C ATOM 492 O LEU A 32 11.024 -12.508 5.655 1.00 0.00 O ATOM 493 CB LEU A 32 10.458 -10.478 3.128 1.00 0.00 C ATOM 494 CG LEU A 32 11.180 -9.547 2.153 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.511 -8.181 2.124 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.648 -9.416 2.528 1.00 0.00 C ATOM 0 H LEU A 32 10.189 -12.388 1.535 1.00 0.00 H new ATOM 0 HA LEU A 32 12.164 -11.719 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.440 -10.628 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.385 -9.976 4.093 1.00 0.00 H new ATOM 0 HG LEU A 32 11.118 -9.980 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.039 -7.532 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.474 -8.290 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.540 -7.740 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.146 -8.750 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.731 -9.007 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.121 -10.398 2.495 1.00 0.00 H new ATOM 508 N LYS A 33 9.306 -13.140 4.347 1.00 0.00 N ATOM 509 CA LYS A 33 8.600 -13.832 5.419 1.00 0.00 C ATOM 510 C LYS A 33 9.316 -15.126 5.794 1.00 0.00 C ATOM 511 O LYS A 33 9.204 -15.605 6.923 1.00 0.00 O ATOM 512 CB LYS A 33 7.161 -14.137 4.996 1.00 0.00 C ATOM 513 CG LYS A 33 7.063 -15.024 3.767 1.00 0.00 C ATOM 514 CD LYS A 33 7.020 -16.496 4.144 1.00 0.00 C ATOM 515 CE LYS A 33 5.596 -17.030 4.143 1.00 0.00 C ATOM 516 NZ LYS A 33 5.510 -18.380 4.765 1.00 0.00 N ATOM 0 H LYS A 33 8.833 -13.168 3.444 1.00 0.00 H new ATOM 0 HA LYS A 33 8.585 -13.179 6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.642 -14.620 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.643 -13.199 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.168 -14.766 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.916 -14.839 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.626 -17.070 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.460 -16.633 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.949 -16.339 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.227 -17.078 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.524 -18.709 4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.108 -19.045 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.838 -18.330 5.751 1.00 0.00 H new ATOM 530 N THR A 34 10.053 -15.688 4.840 1.00 0.00 N ATOM 531 CA THR A 34 10.787 -16.925 5.071 1.00 0.00 C ATOM 532 C THR A 34 12.184 -16.643 5.611 1.00 0.00 C ATOM 533 O THR A 34 12.742 -17.440 6.367 1.00 0.00 O ATOM 534 CB THR A 34 10.906 -17.757 3.780 1.00 0.00 C ATOM 535 OG1 THR A 34 11.360 -19.080 4.089 1.00 0.00 O ATOM 536 CG2 THR A 34 11.868 -17.102 2.801 1.00 0.00 C ATOM 0 H THR A 34 10.157 -15.305 3.900 1.00 0.00 H new ATOM 0 HA THR A 34 10.223 -17.494 5.810 1.00 0.00 H new ATOM 0 HB THR A 34 9.921 -17.810 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.431 -19.603 3.263 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.936 -17.708 1.897 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.505 -16.107 2.545 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.854 -17.022 3.259 1.00 0.00 H new ATOM 544 N LEU A 35 12.746 -15.505 5.219 1.00 0.00 N ATOM 545 CA LEU A 35 14.080 -15.117 5.665 1.00 0.00 C ATOM 546 C LEU A 35 14.018 -14.409 7.014 1.00 0.00 C ATOM 547 O LEU A 35 14.784 -14.721 7.927 1.00 0.00 O ATOM 548 CB LEU A 35 14.740 -14.206 4.628 1.00 0.00 C ATOM 549 CG LEU A 35 16.113 -13.647 5.003 1.00 0.00 C ATOM 550 CD1 LEU A 35 17.218 -14.572 4.518 1.00 0.00 C ATOM 551 CD2 LEU A 35 16.295 -12.249 4.429 1.00 0.00 C ATOM 0 H LEU A 35 12.299 -14.835 4.593 1.00 0.00 H new ATOM 0 HA LEU A 35 14.677 -16.022 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.839 -14.762 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.071 -13.369 4.431 1.00 0.00 H new ATOM 0 HG LEU A 35 16.173 -13.583 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.187 -14.157 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.099 -15.553 4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.161 -14.670 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.278 -11.867 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.214 -12.288 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.524 -11.589 4.827 1.00 0.00 H new ATOM 563 N THR A 36 13.101 -13.454 7.135 1.00 0.00 N ATOM 564 CA THR A 36 12.938 -12.702 8.373 1.00 0.00 C ATOM 565 C THR A 36 11.703 -13.163 9.138 1.00 0.00 C ATOM 566 O THR A 36 11.729 -13.287 10.362 1.00 0.00 O ATOM 567 CB THR A 36 12.825 -11.190 8.101 1.00 0.00 C ATOM 568 OG1 THR A 36 11.448 -10.814 7.992 1.00 0.00 O ATOM 569 CG2 THR A 36 13.562 -10.813 6.825 1.00 0.00 C ATOM 0 H THR A 36 12.459 -13.183 6.390 1.00 0.00 H new ATOM 0 HA THR A 36 13.826 -12.890 8.976 1.00 0.00 H new ATOM 0 HB THR A 36 13.282 -10.658 8.935 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.059 -11.225 7.192 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.468 -9.741 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.616 -11.074 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.131 -11.354 5.983 1.00 0.00 H new ATOM 577 N GLY A 37 10.621 -13.418 8.408 1.00 0.00 N ATOM 578 CA GLY A 37 9.391 -13.864 9.036 1.00 0.00 C ATOM 579 C GLY A 37 8.969 -12.969 10.185 1.00 0.00 C ATOM 580 O GLY A 37 8.288 -13.413 11.110 1.00 0.00 O ATOM 0 H GLY A 37 10.575 -13.324 7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.596 -13.893 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.522 -14.882 9.402 1.00 0.00 H new ATOM 584 N VAL A 38 9.376 -11.705 10.128 1.00 0.00 N ATOM 585 CA VAL A 38 9.036 -10.745 11.172 1.00 0.00 C ATOM 586 C VAL A 38 8.096 -9.668 10.644 1.00 0.00 C ATOM 587 O VAL A 38 7.309 -9.091 11.396 1.00 0.00 O ATOM 588 CB VAL A 38 10.297 -10.072 11.748 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.919 -9.044 12.803 1.00 0.00 C ATOM 590 CG2 VAL A 38 11.242 -11.117 12.323 1.00 0.00 C ATOM 0 H VAL A 38 9.941 -11.322 9.370 1.00 0.00 H new ATOM 0 HA VAL A 38 8.536 -11.303 11.964 1.00 0.00 H new ATOM 0 HB VAL A 38 10.813 -9.554 10.940 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.822 -8.579 13.198 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.284 -8.280 12.355 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.380 -9.535 13.613 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.127 -10.625 12.726 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.738 -11.665 13.119 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.539 -11.811 11.537 1.00 0.00 H new ATOM 600 N LEU A 39 8.181 -9.401 9.345 1.00 0.00 N ATOM 601 CA LEU A 39 7.337 -8.393 8.714 1.00 0.00 C ATOM 602 C LEU A 39 5.860 -8.711 8.923 1.00 0.00 C ATOM 603 O LEU A 39 5.071 -7.867 9.349 1.00 0.00 O ATOM 604 CB LEU A 39 7.645 -8.304 7.218 1.00 0.00 C ATOM 605 CG LEU A 39 9.122 -8.379 6.832 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.309 -8.023 5.365 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.952 -7.459 7.716 1.00 0.00 C ATOM 0 H LEU A 39 8.826 -9.869 8.708 1.00 0.00 H new ATOM 0 HA LEU A 39 7.552 -7.432 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.116 -9.110 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.238 -7.367 6.839 1.00 0.00 H new ATOM 0 HG LEU A 39 9.466 -9.402 6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.367 -8.082 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.746 -8.722 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.948 -7.010 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.001 -7.525 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.607 -6.432 7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.843 -7.760 8.758 1.00 0.00 H new ATOM 619 N PRO A 40 5.474 -9.959 8.617 1.00 0.00 N ATOM 620 CA PRO A 40 4.090 -10.420 8.765 1.00 0.00 C ATOM 621 C PRO A 40 3.675 -10.544 10.227 1.00 0.00 C ATOM 622 O PRO A 40 2.505 -10.779 10.531 1.00 0.00 O ATOM 623 CB PRO A 40 4.100 -11.795 8.093 1.00 0.00 C ATOM 624 CG PRO A 40 5.513 -12.256 8.195 1.00 0.00 C ATOM 625 CD PRO A 40 6.360 -11.018 8.104 1.00 0.00 C ATOM 0 HA PRO A 40 3.378 -9.722 8.325 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.421 -12.485 8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.779 -11.730 7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.686 -12.779 9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.755 -12.954 7.393 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.267 -11.107 8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.672 -10.819 7.079 1.00 0.00 H new ATOM 633 N GLU A 41 4.639 -10.385 11.128 1.00 0.00 N ATOM 634 CA GLU A 41 4.371 -10.480 12.558 1.00 0.00 C ATOM 635 C GLU A 41 4.345 -9.096 13.200 1.00 0.00 C ATOM 636 O GLU A 41 3.279 -8.571 13.524 1.00 0.00 O ATOM 637 CB GLU A 41 5.429 -11.351 13.241 1.00 0.00 C ATOM 638 CG GLU A 41 5.354 -12.817 12.850 1.00 0.00 C ATOM 639 CD GLU A 41 5.931 -13.734 13.912 1.00 0.00 C ATOM 640 OE1 GLU A 41 5.606 -13.542 15.102 1.00 0.00 O ATOM 641 OE2 GLU A 41 6.707 -14.643 13.551 1.00 0.00 O ATOM 0 H GLU A 41 5.612 -10.190 10.893 1.00 0.00 H new ATOM 0 HA GLU A 41 3.392 -10.941 12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.419 -10.968 12.993 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.316 -11.265 14.322 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.314 -13.088 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.892 -12.968 11.914 1.00 0.00 H new ATOM 648 N ARG A 42 5.524 -8.512 13.382 1.00 0.00 N ATOM 649 CA ARG A 42 5.637 -7.190 13.987 1.00 0.00 C ATOM 650 C ARG A 42 6.721 -6.367 13.297 1.00 0.00 C ATOM 651 O ARG A 42 7.829 -6.851 13.068 1.00 0.00 O ATOM 652 CB ARG A 42 5.949 -7.314 15.480 1.00 0.00 C ATOM 653 CG ARG A 42 5.160 -8.410 16.178 1.00 0.00 C ATOM 654 CD ARG A 42 4.941 -8.089 17.648 1.00 0.00 C ATOM 655 NE ARG A 42 4.328 -9.203 18.366 1.00 0.00 N ATOM 656 CZ ARG A 42 3.755 -9.082 19.558 1.00 0.00 C ATOM 657 NH1 ARG A 42 3.715 -7.902 20.162 1.00 0.00 N ATOM 658 NH2 ARG A 42 3.218 -10.142 20.148 1.00 0.00 N ATOM 0 H ARG A 42 6.415 -8.933 13.119 1.00 0.00 H new ATOM 0 HA ARG A 42 4.682 -6.679 13.863 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.014 -7.509 15.605 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.740 -6.361 15.967 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.196 -8.537 15.685 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.692 -9.357 16.087 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.896 -7.841 18.111 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.306 -7.208 17.736 1.00 0.00 H new ATOM 0 HE ARG A 42 4.341 -10.124 17.928 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.125 -7.084 19.711 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.274 -7.812 21.077 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.245 -11.051 19.686 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.778 -10.048 21.063 1.00 0.00 H new ATOM 672 N GLN A 43 6.391 -5.122 12.968 1.00 0.00 N ATOM 673 CA GLN A 43 7.336 -4.233 12.303 1.00 0.00 C ATOM 674 C GLN A 43 6.894 -2.778 12.426 1.00 0.00 C ATOM 675 O GLN A 43 5.726 -2.494 12.693 1.00 0.00 O ATOM 676 CB GLN A 43 7.475 -4.613 10.828 1.00 0.00 C ATOM 677 CG GLN A 43 6.158 -4.992 10.171 1.00 0.00 C ATOM 678 CD GLN A 43 6.185 -4.817 8.665 1.00 0.00 C ATOM 679 OE1 GLN A 43 5.233 -4.309 8.071 1.00 0.00 O ATOM 680 NE2 GLN A 43 7.278 -5.236 8.039 1.00 0.00 N ATOM 0 H GLN A 43 5.477 -4.707 13.151 1.00 0.00 H new ATOM 0 HA GLN A 43 8.304 -4.342 12.792 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.914 -3.776 10.286 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.169 -5.449 10.741 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.924 -6.030 10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.358 -4.381 10.590 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.043 -5.651 8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.353 -5.143 7.026 1.00 0.00 H new ATOM 689 N LYS A 44 7.835 -1.861 12.229 1.00 0.00 N ATOM 690 CA LYS A 44 7.543 -0.435 12.316 1.00 0.00 C ATOM 691 C LYS A 44 8.356 0.351 11.292 1.00 0.00 C ATOM 692 O LYS A 44 9.215 1.157 11.652 1.00 0.00 O ATOM 693 CB LYS A 44 7.842 0.082 13.725 1.00 0.00 C ATOM 694 CG LYS A 44 6.704 -0.135 14.707 1.00 0.00 C ATOM 695 CD LYS A 44 5.848 1.112 14.855 1.00 0.00 C ATOM 696 CE LYS A 44 5.068 1.102 16.160 1.00 0.00 C ATOM 697 NZ LYS A 44 4.115 -0.040 16.227 1.00 0.00 N ATOM 0 H LYS A 44 8.806 -2.080 12.008 1.00 0.00 H new ATOM 0 HA LYS A 44 6.484 -0.293 12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.736 -0.414 14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.067 1.147 13.672 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.084 -0.965 14.368 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.110 -0.416 15.679 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.483 1.997 14.817 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.155 1.180 14.016 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.763 1.045 16.998 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.520 2.039 16.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.336 0.196 16.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.732 -0.229 15.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.610 -0.886 16.575 1.00 0.00 H new ATOM 711 N LEU A 45 8.079 0.112 10.015 1.00 0.00 N ATOM 712 CA LEU A 45 8.784 0.798 8.938 1.00 0.00 C ATOM 713 C LEU A 45 8.377 2.267 8.870 1.00 0.00 C ATOM 714 O LEU A 45 7.339 2.660 9.405 1.00 0.00 O ATOM 715 CB LEU A 45 8.498 0.116 7.599 1.00 0.00 C ATOM 716 CG LEU A 45 8.770 -1.388 7.541 1.00 0.00 C ATOM 717 CD1 LEU A 45 7.489 -2.171 7.778 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.389 -1.766 6.203 1.00 0.00 C ATOM 0 H LEU A 45 7.371 -0.552 9.700 1.00 0.00 H new ATOM 0 HA LEU A 45 9.853 0.745 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.452 0.286 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.097 0.603 6.830 1.00 0.00 H new ATOM 0 HG LEU A 45 9.477 -1.641 8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.702 -3.239 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.087 -1.922 8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.758 -1.914 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.576 -2.840 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.705 -1.499 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.330 -1.231 6.073 1.00 0.00 H new ATOM 730 N LEU A 46 9.199 3.073 8.209 1.00 0.00 N ATOM 731 CA LEU A 46 8.924 4.499 8.069 1.00 0.00 C ATOM 732 C LEU A 46 7.680 4.733 7.219 1.00 0.00 C ATOM 733 O LEU A 46 7.130 5.833 7.194 1.00 0.00 O ATOM 734 CB LEU A 46 10.125 5.211 7.442 1.00 0.00 C ATOM 735 CG LEU A 46 10.743 4.533 6.219 1.00 0.00 C ATOM 736 CD1 LEU A 46 9.749 4.499 5.068 1.00 0.00 C ATOM 737 CD2 LEU A 46 12.020 5.249 5.801 1.00 0.00 C ATOM 0 H LEU A 46 10.062 2.764 7.761 1.00 0.00 H new ATOM 0 HA LEU A 46 8.744 4.908 9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.818 6.218 7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.898 5.316 8.203 1.00 0.00 H new ATOM 0 HG LEU A 46 10.995 3.507 6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.207 4.013 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.862 3.943 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.466 5.517 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.446 4.753 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.792 6.286 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.738 5.222 6.621 1.00 0.00 H new ATOM 749 N GLY A 47 7.238 3.688 6.525 1.00 0.00 N ATOM 750 CA GLY A 47 6.060 3.800 5.685 1.00 0.00 C ATOM 751 C GLY A 47 5.835 2.565 4.834 1.00 0.00 C ATOM 752 O GLY A 47 4.695 2.162 4.600 1.00 0.00 O ATOM 0 H GLY A 47 7.675 2.766 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.185 3.970 6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.161 4.671 5.037 1.00 0.00 H new ATOM 756 N LEU A 48 6.924 1.963 4.369 1.00 0.00 N ATOM 757 CA LEU A 48 6.841 0.767 3.538 1.00 0.00 C ATOM 758 C LEU A 48 6.242 -0.399 4.319 1.00 0.00 C ATOM 759 O LEU A 48 6.633 -0.665 5.456 1.00 0.00 O ATOM 760 CB LEU A 48 8.228 0.387 3.016 1.00 0.00 C ATOM 761 CG LEU A 48 8.280 -0.798 2.051 1.00 0.00 C ATOM 762 CD1 LEU A 48 8.248 -2.112 2.816 1.00 0.00 C ATOM 763 CD2 LEU A 48 7.129 -0.728 1.058 1.00 0.00 C ATOM 0 H LEU A 48 7.875 2.283 4.553 1.00 0.00 H new ATOM 0 HA LEU A 48 6.189 0.987 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.657 1.256 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.867 0.163 3.870 1.00 0.00 H new ATOM 0 HG LEU A 48 9.216 -0.748 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.286 -2.944 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.106 -2.164 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.329 -2.171 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.182 -1.579 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.182 -0.752 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.198 0.197 0.486 1.00 0.00 H new ATOM 775 N LYS A 49 5.293 -1.093 3.701 1.00 0.00 N ATOM 776 CA LYS A 49 4.641 -2.233 4.336 1.00 0.00 C ATOM 777 C LYS A 49 3.911 -1.805 5.605 1.00 0.00 C ATOM 778 O LYS A 49 4.360 -2.087 6.716 1.00 0.00 O ATOM 779 CB LYS A 49 5.671 -3.315 4.667 1.00 0.00 C ATOM 780 CG LYS A 49 5.783 -4.394 3.604 1.00 0.00 C ATOM 781 CD LYS A 49 4.730 -5.473 3.792 1.00 0.00 C ATOM 782 CE LYS A 49 5.136 -6.467 4.870 1.00 0.00 C ATOM 783 NZ LYS A 49 4.529 -7.808 4.645 1.00 0.00 N ATOM 0 H LYS A 49 4.958 -0.886 2.760 1.00 0.00 H new ATOM 0 HA LYS A 49 3.909 -2.638 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.646 -2.847 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.406 -3.779 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.674 -3.946 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.776 -4.842 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.779 -5.012 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.575 -5.999 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.222 -6.559 4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.831 -6.089 5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.830 -8.456 5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.492 -7.725 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.840 -8.180 3.725 1.00 0.00 H new ATOM 797 N VAL A 50 2.783 -1.124 5.432 1.00 0.00 N ATOM 798 CA VAL A 50 1.989 -0.660 6.564 1.00 0.00 C ATOM 799 C VAL A 50 1.076 -1.765 7.084 1.00 0.00 C ATOM 800 O VAL A 50 0.699 -2.674 6.345 1.00 0.00 O ATOM 801 CB VAL A 50 1.133 0.563 6.185 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.016 1.777 5.938 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.279 0.257 4.964 1.00 0.00 C ATOM 0 H VAL A 50 2.398 -0.881 4.519 1.00 0.00 H new ATOM 0 HA VAL A 50 2.691 -0.374 7.347 1.00 0.00 H new ATOM 0 HB VAL A 50 0.467 0.791 7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.394 2.631 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.580 2.007 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.708 1.564 5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.319 1.132 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.924 0.002 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.381 -0.583 5.183 1.00 0.00 H new ATOM 813 N LYS A 51 0.722 -1.679 8.362 1.00 0.00 N ATOM 814 CA LYS A 51 -0.149 -2.669 8.983 1.00 0.00 C ATOM 815 C LYS A 51 -1.616 -2.345 8.719 1.00 0.00 C ATOM 816 O LYS A 51 -1.984 -1.185 8.542 1.00 0.00 O ATOM 817 CB LYS A 51 0.107 -2.730 10.491 1.00 0.00 C ATOM 818 CG LYS A 51 -0.376 -1.501 11.240 1.00 0.00 C ATOM 819 CD LYS A 51 0.303 -1.370 12.593 1.00 0.00 C ATOM 820 CE LYS A 51 0.324 0.074 13.070 1.00 0.00 C ATOM 821 NZ LYS A 51 0.986 0.211 14.396 1.00 0.00 N ATOM 0 H LYS A 51 1.025 -0.933 8.988 1.00 0.00 H new ATOM 0 HA LYS A 51 0.076 -3.641 8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.387 -3.612 10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.176 -2.854 10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.178 -0.610 10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.456 -1.559 11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.218 -1.988 13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.324 -1.747 12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.846 0.690 12.338 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.697 0.450 13.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.980 1.210 14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.473 -0.357 15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.968 -0.124 14.330 1.00 0.00 H new ATOM 835 N GLY A 52 -2.451 -3.380 8.695 1.00 0.00 N ATOM 836 CA GLY A 52 -3.869 -3.184 8.454 1.00 0.00 C ATOM 837 C GLY A 52 -4.184 -2.982 6.985 1.00 0.00 C ATOM 838 O GLY A 52 -5.341 -2.789 6.611 1.00 0.00 O ATOM 0 H GLY A 52 -2.171 -4.350 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.420 -4.048 8.825 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.214 -2.318 9.019 1.00 0.00 H new ATOM 842 N LYS A 53 -3.152 -3.024 6.149 1.00 0.00 N ATOM 843 CA LYS A 53 -3.323 -2.843 4.712 1.00 0.00 C ATOM 844 C LYS A 53 -1.990 -2.979 3.984 1.00 0.00 C ATOM 845 O LYS A 53 -1.429 -2.007 3.478 1.00 0.00 O ATOM 846 CB LYS A 53 -3.939 -1.473 4.419 1.00 0.00 C ATOM 847 CG LYS A 53 -3.317 -0.343 5.221 1.00 0.00 C ATOM 848 CD LYS A 53 -3.918 1.002 4.848 1.00 0.00 C ATOM 849 CE LYS A 53 -2.915 2.131 5.028 1.00 0.00 C ATOM 850 NZ LYS A 53 -3.587 3.446 5.219 1.00 0.00 N ATOM 0 H LYS A 53 -2.188 -3.182 6.442 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.995 -3.621 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.831 -1.255 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.008 -1.512 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.465 -0.526 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.241 -0.322 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.256 0.976 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.796 1.193 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.281 1.919 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.263 2.180 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.869 4.189 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.173 3.661 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.190 3.408 6.066 1.00 0.00 H new ATOM 864 N PRO A 54 -1.468 -4.214 3.928 1.00 0.00 N ATOM 865 CA PRO A 54 -0.195 -4.506 3.262 1.00 0.00 C ATOM 866 C PRO A 54 -0.290 -4.371 1.746 1.00 0.00 C ATOM 867 O PRO A 54 -1.363 -4.531 1.165 1.00 0.00 O ATOM 868 CB PRO A 54 0.084 -5.959 3.653 1.00 0.00 C ATOM 869 CG PRO A 54 -1.258 -6.540 3.937 1.00 0.00 C ATOM 870 CD PRO A 54 -2.082 -5.420 4.510 1.00 0.00 C ATOM 0 HA PRO A 54 0.590 -3.811 3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.585 -6.496 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.733 -6.016 4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.713 -6.934 3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.183 -7.369 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.132 -5.511 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.040 -5.407 5.599 1.00 0.00 H new ATOM 878 N ALA A 55 0.840 -4.077 1.112 1.00 0.00 N ATOM 879 CA ALA A 55 0.885 -3.923 -0.337 1.00 0.00 C ATOM 880 C ALA A 55 0.228 -5.109 -1.036 1.00 0.00 C ATOM 881 O ALA A 55 -0.058 -6.128 -0.409 1.00 0.00 O ATOM 882 CB ALA A 55 2.323 -3.761 -0.806 1.00 0.00 C ATOM 0 H ALA A 55 1.737 -3.941 1.579 1.00 0.00 H new ATOM 0 HA ALA A 55 0.326 -3.025 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.342 -3.647 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.760 -2.878 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.899 -4.642 -0.524 1.00 0.00 H new ATOM 888 N GLU A 56 -0.008 -4.967 -2.336 1.00 0.00 N ATOM 889 CA GLU A 56 -0.633 -6.027 -3.118 1.00 0.00 C ATOM 890 C GLU A 56 0.402 -6.754 -3.973 1.00 0.00 C ATOM 891 O GLU A 56 1.449 -6.200 -4.303 1.00 0.00 O ATOM 892 CB GLU A 56 -1.734 -5.452 -4.011 1.00 0.00 C ATOM 893 CG GLU A 56 -2.718 -6.495 -4.513 1.00 0.00 C ATOM 894 CD GLU A 56 -4.075 -5.906 -4.844 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.147 -4.684 -5.091 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.066 -6.666 -4.855 1.00 0.00 O ATOM 0 H GLU A 56 0.224 -4.129 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.075 -6.743 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.279 -4.689 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.275 -4.957 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.309 -6.977 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.838 -7.270 -3.756 1.00 0.00 H new ATOM 903 N ASN A 57 0.099 -7.999 -4.326 1.00 0.00 N ATOM 904 CA ASN A 57 1.002 -8.804 -5.141 1.00 0.00 C ATOM 905 C ASN A 57 1.050 -8.283 -6.574 1.00 0.00 C ATOM 906 O ASN A 57 2.077 -8.380 -7.246 1.00 0.00 O ATOM 907 CB ASN A 57 0.561 -10.269 -5.133 1.00 0.00 C ATOM 908 CG ASN A 57 -0.905 -10.434 -5.484 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.277 -10.442 -6.657 1.00 0.00 O ATOM 910 ND2 ASN A 57 -1.746 -10.565 -4.464 1.00 0.00 N ATOM 0 H ASN A 57 -0.765 -8.472 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 57 2.002 -8.731 -4.713 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.167 -10.832 -5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.746 -10.696 -4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.745 -10.678 -4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.393 -10.553 -3.507 1.00 0.00 H new ATOM 917 N ASP A 58 -0.067 -7.731 -7.035 1.00 0.00 N ATOM 918 CA ASP A 58 -0.152 -7.194 -8.388 1.00 0.00 C ATOM 919 C ASP A 58 0.946 -6.163 -8.634 1.00 0.00 C ATOM 920 O ASP A 58 1.347 -5.928 -9.774 1.00 0.00 O ATOM 921 CB ASP A 58 -1.524 -6.561 -8.623 1.00 0.00 C ATOM 922 CG ASP A 58 -1.550 -5.673 -9.852 1.00 0.00 C ATOM 923 OD1 ASP A 58 -1.241 -4.471 -9.721 1.00 0.00 O ATOM 924 OD2 ASP A 58 -1.881 -6.181 -10.944 1.00 0.00 O ATOM 0 H ASP A 58 -0.926 -7.644 -6.492 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.016 -8.018 -9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.270 -7.348 -8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.805 -5.974 -7.748 1.00 0.00 H new ATOM 929 N VAL A 59 1.428 -5.551 -7.557 1.00 0.00 N ATOM 930 CA VAL A 59 2.479 -4.546 -7.655 1.00 0.00 C ATOM 931 C VAL A 59 3.728 -5.119 -8.315 1.00 0.00 C ATOM 932 O VAL A 59 4.209 -6.188 -7.937 1.00 0.00 O ATOM 933 CB VAL A 59 2.855 -3.989 -6.268 1.00 0.00 C ATOM 934 CG1 VAL A 59 3.908 -2.899 -6.398 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.619 -3.466 -5.552 1.00 0.00 C ATOM 0 H VAL A 59 1.107 -5.734 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 59 2.085 -3.736 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 59 3.277 -4.798 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.161 -2.518 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.801 -3.310 -6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.517 -2.087 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.902 -3.076 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.166 -2.670 -6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.902 -4.277 -5.425 1.00 0.00 H new ATOM 945 N LYS A 60 4.249 -4.402 -9.305 1.00 0.00 N ATOM 946 CA LYS A 60 5.444 -4.837 -10.018 1.00 0.00 C ATOM 947 C LYS A 60 6.298 -3.642 -10.430 1.00 0.00 C ATOM 948 O LYS A 60 5.865 -2.493 -10.329 1.00 0.00 O ATOM 949 CB LYS A 60 5.056 -5.650 -11.256 1.00 0.00 C ATOM 950 CG LYS A 60 3.812 -5.134 -11.957 1.00 0.00 C ATOM 951 CD LYS A 60 4.165 -4.273 -13.158 1.00 0.00 C ATOM 952 CE LYS A 60 4.463 -5.122 -14.384 1.00 0.00 C ATOM 953 NZ LYS A 60 4.142 -4.403 -15.648 1.00 0.00 N ATOM 0 H LYS A 60 3.862 -3.517 -9.632 1.00 0.00 H new ATOM 0 HA LYS A 60 6.029 -5.465 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.888 -5.644 -11.960 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.894 -6.687 -10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.199 -5.976 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.212 -4.554 -11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.340 -3.595 -13.376 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.032 -3.656 -12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.516 -5.403 -14.384 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.886 -6.046 -14.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.399 -4.919 -16.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.807 -3.444 -15.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.995 -4.344 -16.240 1.00 0.00 H new ATOM 967 N LEU A 61 7.511 -3.919 -10.894 1.00 0.00 N ATOM 968 CA LEU A 61 8.425 -2.866 -11.323 1.00 0.00 C ATOM 969 C LEU A 61 7.762 -1.953 -12.349 1.00 0.00 C ATOM 970 O LEU A 61 7.842 -0.729 -12.250 1.00 0.00 O ATOM 971 CB LEU A 61 9.697 -3.477 -11.914 1.00 0.00 C ATOM 972 CG LEU A 61 10.579 -2.532 -12.730 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.174 -1.454 -11.837 1.00 0.00 C ATOM 974 CD2 LEU A 61 11.680 -3.308 -13.438 1.00 0.00 C ATOM 0 H LEU A 61 7.885 -4.864 -10.983 1.00 0.00 H new ATOM 0 HA LEU A 61 8.687 -2.269 -10.449 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.294 -3.884 -11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.412 -4.315 -12.550 1.00 0.00 H new ATOM 0 HG LEU A 61 9.959 -2.049 -13.485 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.799 -0.790 -12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.371 -0.879 -11.376 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.779 -1.919 -11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.298 -2.619 -14.014 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.298 -3.819 -12.699 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.234 -4.043 -14.108 1.00 0.00 H new ATOM 986 N GLY A 62 7.103 -2.557 -13.333 1.00 0.00 N ATOM 987 CA GLY A 62 6.433 -1.783 -14.362 1.00 0.00 C ATOM 988 C GLY A 62 5.255 -0.998 -13.822 1.00 0.00 C ATOM 989 O GLY A 62 4.681 -0.166 -14.523 1.00 0.00 O ATOM 0 H GLY A 62 7.021 -3.568 -13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.146 -1.095 -14.817 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.089 -2.453 -15.150 1.00 0.00 H new ATOM 993 N ALA A 63 4.892 -1.264 -12.571 1.00 0.00 N ATOM 994 CA ALA A 63 3.774 -0.576 -11.937 1.00 0.00 C ATOM 995 C ALA A 63 4.266 0.483 -10.957 1.00 0.00 C ATOM 996 O ALA A 63 3.499 1.339 -10.515 1.00 0.00 O ATOM 997 CB ALA A 63 2.872 -1.576 -11.228 1.00 0.00 C ATOM 0 H ALA A 63 5.356 -1.951 -11.977 1.00 0.00 H new ATOM 0 HA ALA A 63 3.200 -0.074 -12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.042 -1.048 -10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.484 -2.293 -11.952 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.444 -2.104 -10.465 1.00 0.00 H new ATOM 1003 N LEU A 64 5.550 0.420 -10.620 1.00 0.00 N ATOM 1004 CA LEU A 64 6.145 1.374 -9.691 1.00 0.00 C ATOM 1005 C LEU A 64 7.146 2.277 -10.404 1.00 0.00 C ATOM 1006 O LEU A 64 7.010 3.500 -10.398 1.00 0.00 O ATOM 1007 CB LEU A 64 6.834 0.635 -8.543 1.00 0.00 C ATOM 1008 CG LEU A 64 6.012 -0.458 -7.858 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.924 -1.532 -7.286 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.138 0.139 -6.765 1.00 0.00 C ATOM 0 H LEU A 64 6.199 -0.282 -10.976 1.00 0.00 H new ATOM 0 HA LEU A 64 5.347 1.997 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.751 0.186 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.127 1.367 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 64 5.364 -0.920 -8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.322 -2.301 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.507 -1.980 -8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.598 -1.086 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.560 -0.653 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.768 0.627 -6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.459 0.871 -7.202 1.00 0.00 H new ATOM 1022 N LYS A 65 8.151 1.665 -11.021 1.00 0.00 N ATOM 1023 CA LYS A 65 9.175 2.411 -11.743 1.00 0.00 C ATOM 1024 C LYS A 65 9.890 3.389 -10.816 1.00 0.00 C ATOM 1025 O LYS A 65 10.366 4.438 -11.252 1.00 0.00 O ATOM 1026 CB LYS A 65 8.550 3.169 -12.916 1.00 0.00 C ATOM 1027 CG LYS A 65 8.181 2.277 -14.089 1.00 0.00 C ATOM 1028 CD LYS A 65 6.992 2.829 -14.857 1.00 0.00 C ATOM 1029 CE LYS A 65 7.020 2.396 -16.315 1.00 0.00 C ATOM 1030 NZ LYS A 65 7.040 0.913 -16.452 1.00 0.00 N ATOM 0 H LYS A 65 8.278 0.653 -11.036 1.00 0.00 H new ATOM 0 HA LYS A 65 9.906 1.699 -12.126 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.656 3.686 -12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.248 3.933 -13.257 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.036 2.183 -14.759 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.948 1.276 -13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.067 2.487 -14.393 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.994 3.917 -14.800 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.147 2.797 -16.830 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.899 2.818 -16.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.939 0.656 -17.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.941 0.543 -16.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.253 0.504 -15.909 1.00 0.00 H new ATOM 1044 N LEU A 66 9.964 3.038 -9.537 1.00 0.00 N ATOM 1045 CA LEU A 66 10.624 3.884 -8.548 1.00 0.00 C ATOM 1046 C LEU A 66 12.115 3.573 -8.474 1.00 0.00 C ATOM 1047 O LEU A 66 12.620 2.718 -9.202 1.00 0.00 O ATOM 1048 CB LEU A 66 9.982 3.691 -7.173 1.00 0.00 C ATOM 1049 CG LEU A 66 8.999 4.777 -6.734 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.808 4.160 -6.017 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.693 5.794 -5.840 1.00 0.00 C ATOM 0 H LEU A 66 9.575 2.174 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 66 10.503 4.923 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.461 2.734 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.776 3.625 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 66 8.635 5.292 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.119 4.948 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.296 3.470 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.154 3.619 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.979 6.559 -5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.085 5.293 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.513 6.259 -6.387 1.00 0.00 H new ATOM 1063 N LYS A 67 12.816 4.271 -7.587 1.00 0.00 N ATOM 1064 CA LYS A 67 14.250 4.068 -7.413 1.00 0.00 C ATOM 1065 C LYS A 67 14.579 3.725 -5.964 1.00 0.00 C ATOM 1066 O LYS A 67 13.846 4.071 -5.037 1.00 0.00 O ATOM 1067 CB LYS A 67 15.018 5.321 -7.839 1.00 0.00 C ATOM 1068 CG LYS A 67 14.823 6.502 -6.904 1.00 0.00 C ATOM 1069 CD LYS A 67 15.343 7.791 -7.517 1.00 0.00 C ATOM 1070 CE LYS A 67 14.313 8.424 -8.440 1.00 0.00 C ATOM 1071 NZ LYS A 67 14.399 7.879 -9.823 1.00 0.00 N ATOM 0 H LYS A 67 12.414 4.983 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 67 14.553 3.232 -8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.080 5.084 -7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.702 5.607 -8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.764 6.611 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.339 6.311 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.603 8.493 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.257 7.587 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.313 8.250 -8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.462 9.503 -8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.437 8.664 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.257 7.299 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.562 7.293 -10.018 1.00 0.00 H new ATOM 1085 N PRO A 68 15.708 3.030 -5.761 1.00 0.00 N ATOM 1086 CA PRO A 68 16.161 2.627 -4.426 1.00 0.00 C ATOM 1087 C PRO A 68 16.625 3.814 -3.589 1.00 0.00 C ATOM 1088 O PRO A 68 16.841 3.689 -2.384 1.00 0.00 O ATOM 1089 CB PRO A 68 17.333 1.688 -4.718 1.00 0.00 C ATOM 1090 CG PRO A 68 17.836 2.112 -6.055 1.00 0.00 C ATOM 1091 CD PRO A 68 16.630 2.585 -6.819 1.00 0.00 C ATOM 0 HA PRO A 68 15.362 2.166 -3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.109 1.775 -3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.012 0.646 -4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.575 2.908 -5.960 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.324 1.284 -6.569 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.880 3.397 -7.502 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.196 1.786 -7.420 1.00 0.00 H new ATOM 1099 N ASN A 69 16.776 4.966 -4.236 1.00 0.00 N ATOM 1100 CA ASN A 69 17.215 6.176 -3.550 1.00 0.00 C ATOM 1101 C ASN A 69 16.308 6.488 -2.364 1.00 0.00 C ATOM 1102 O ASN A 69 16.718 7.152 -1.411 1.00 0.00 O ATOM 1103 CB ASN A 69 17.232 7.359 -4.519 1.00 0.00 C ATOM 1104 CG ASN A 69 16.073 8.310 -4.291 1.00 0.00 C ATOM 1105 OD1 ASN A 69 14.909 7.918 -4.370 1.00 0.00 O ATOM 1106 ND2 ASN A 69 16.388 9.568 -4.005 1.00 0.00 N ATOM 0 H ASN A 69 16.601 5.087 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 69 18.225 6.006 -3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 69 18.171 7.902 -4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 69 17.197 6.987 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.651 10.254 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 69 17.367 9.849 -3.950 1.00 0.00 H new ATOM 1113 N THR A 70 15.071 6.005 -2.428 1.00 0.00 N ATOM 1114 CA THR A 70 14.105 6.233 -1.361 1.00 0.00 C ATOM 1115 C THR A 70 14.697 5.886 0.000 1.00 0.00 C ATOM 1116 O THR A 70 14.547 6.638 0.964 1.00 0.00 O ATOM 1117 CB THR A 70 12.824 5.405 -1.577 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.123 4.228 -2.335 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.765 6.224 -2.300 1.00 0.00 C ATOM 0 H THR A 70 14.715 5.453 -3.208 1.00 0.00 H new ATOM 0 HA THR A 70 13.852 7.293 -1.385 1.00 0.00 H new ATOM 0 HB THR A 70 12.435 5.118 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.201 4.461 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.870 5.618 -2.441 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.518 7.104 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.148 6.537 -3.271 1.00 0.00 H new ATOM 1127 N LYS A 71 15.371 4.743 0.073 1.00 0.00 N ATOM 1128 CA LYS A 71 15.988 4.297 1.316 1.00 0.00 C ATOM 1129 C LYS A 71 14.938 4.094 2.403 1.00 0.00 C ATOM 1130 O LYS A 71 14.429 5.058 2.975 1.00 0.00 O ATOM 1131 CB LYS A 71 17.033 5.313 1.785 1.00 0.00 C ATOM 1132 CG LYS A 71 18.445 4.988 1.329 1.00 0.00 C ATOM 1133 CD LYS A 71 19.367 6.187 1.472 1.00 0.00 C ATOM 1134 CE LYS A 71 19.807 6.384 2.914 1.00 0.00 C ATOM 1135 NZ LYS A 71 20.670 7.587 3.072 1.00 0.00 N ATOM 0 H LYS A 71 15.504 4.109 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 71 16.478 3.342 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.759 6.301 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.015 5.364 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.835 4.156 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.427 4.664 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.244 6.051 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.856 7.084 1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.928 6.481 3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.350 5.501 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.949 7.686 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.521 7.483 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.144 8.433 2.774 1.00 0.00 H new ATOM 1149 N ILE A 72 14.619 2.835 2.684 1.00 0.00 N ATOM 1150 CA ILE A 72 13.632 2.506 3.704 1.00 0.00 C ATOM 1151 C ILE A 72 14.305 2.060 4.998 1.00 0.00 C ATOM 1152 O ILE A 72 15.367 1.438 4.974 1.00 0.00 O ATOM 1153 CB ILE A 72 12.676 1.397 3.227 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.603 1.128 4.284 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.453 0.126 2.917 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.959 0.007 5.234 1.00 0.00 C ATOM 0 H ILE A 72 15.030 2.026 2.219 1.00 0.00 H new ATOM 0 HA ILE A 72 13.058 3.414 3.890 1.00 0.00 H new ATOM 0 HB ILE A 72 12.183 1.730 2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.433 2.039 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.665 0.886 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.764 -0.649 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.183 0.328 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.970 -0.213 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.153 -0.128 5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.100 -0.916 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.880 0.255 5.761 1.00 0.00 H new ATOM 1168 N MET A 73 13.679 2.380 6.125 1.00 0.00 N ATOM 1169 CA MET A 73 14.217 2.009 7.429 1.00 0.00 C ATOM 1170 C MET A 73 13.209 1.177 8.216 1.00 0.00 C ATOM 1171 O MET A 73 12.014 1.471 8.218 1.00 0.00 O ATOM 1172 CB MET A 73 14.593 3.261 8.224 1.00 0.00 C ATOM 1173 CG MET A 73 15.950 3.835 7.848 1.00 0.00 C ATOM 1174 SD MET A 73 15.823 5.224 6.706 1.00 0.00 S ATOM 1175 CE MET A 73 17.520 5.797 6.681 1.00 0.00 C ATOM 0 H MET A 73 12.799 2.895 6.162 1.00 0.00 H new ATOM 0 HA MET A 73 15.111 1.407 7.268 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.829 4.023 8.068 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.591 3.021 9.287 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.467 4.159 8.752 1.00 0.00 H new ATOM 0 HG3 MET A 73 16.559 3.052 7.396 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.604 6.656 6.016 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.821 6.086 7.688 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.169 4.997 6.324 1.00 0.00 H new ATOM 1185 N MET A 74 13.699 0.137 8.882 1.00 0.00 N ATOM 1186 CA MET A 74 12.841 -0.738 9.672 1.00 0.00 C ATOM 1187 C MET A 74 13.081 -0.530 11.165 1.00 0.00 C ATOM 1188 O MET A 74 14.190 -0.202 11.584 1.00 0.00 O ATOM 1189 CB MET A 74 13.088 -2.201 9.303 1.00 0.00 C ATOM 1190 CG MET A 74 12.089 -2.751 8.298 1.00 0.00 C ATOM 1191 SD MET A 74 12.467 -4.441 7.796 1.00 0.00 S ATOM 1192 CE MET A 74 11.934 -4.414 6.086 1.00 0.00 C ATOM 0 H MET A 74 14.686 -0.121 8.890 1.00 0.00 H new ATOM 0 HA MET A 74 11.804 -0.486 9.449 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.094 -2.299 8.894 1.00 0.00 H new ATOM 0 HB3 MET A 74 13.051 -2.807 10.208 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.089 -2.720 8.731 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.075 -2.109 7.417 1.00 0.00 H new ATOM 0 HE1 MET A 74 12.488 -5.163 5.520 1.00 0.00 H new ATOM 0 HE2 MET A 74 10.868 -4.635 6.034 1.00 0.00 H new ATOM 0 HE3 MET A 74 12.121 -3.427 5.662 1.00 0.00 H new ATOM 1202 N MET A 75 12.034 -0.724 11.960 1.00 0.00 N ATOM 1203 CA MET A 75 12.132 -0.559 13.406 1.00 0.00 C ATOM 1204 C MET A 75 11.387 -1.674 14.133 1.00 0.00 C ATOM 1205 O MET A 75 10.324 -2.111 13.694 1.00 0.00 O ATOM 1206 CB MET A 75 11.572 0.802 13.824 1.00 0.00 C ATOM 1207 CG MET A 75 11.599 1.034 15.326 1.00 0.00 C ATOM 1208 SD MET A 75 13.271 1.251 15.966 1.00 0.00 S ATOM 1209 CE MET A 75 13.491 3.015 15.747 1.00 0.00 C ATOM 0 H MET A 75 11.109 -0.995 11.628 1.00 0.00 H new ATOM 0 HA MET A 75 13.185 -0.611 13.682 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.145 1.588 13.333 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.545 0.888 13.470 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.006 1.917 15.564 1.00 0.00 H new ATOM 0 HG3 MET A 75 11.129 0.189 15.829 1.00 0.00 H new ATOM 0 HE1 MET A 75 14.481 3.304 16.098 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.393 3.266 14.691 1.00 0.00 H new ATOM 0 HE3 MET A 75 12.733 3.550 16.319 1.00 0.00 H new ATOM 1219 N GLY A 76 11.953 -2.130 15.246 1.00 0.00 N ATOM 1220 CA GLY A 76 11.328 -3.190 16.015 1.00 0.00 C ATOM 1221 C GLY A 76 11.010 -4.408 15.171 1.00 0.00 C ATOM 1222 O GLY A 76 9.949 -5.017 15.319 1.00 0.00 O ATOM 0 H GLY A 76 12.833 -1.784 15.629 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.989 -3.480 16.832 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.410 -2.814 16.466 1.00 0.00 H new ATOM 1226 N THR A 77 11.930 -4.766 14.280 1.00 0.00 N ATOM 1227 CA THR A 77 11.741 -5.917 13.407 1.00 0.00 C ATOM 1228 C THR A 77 12.646 -7.073 13.818 1.00 0.00 C ATOM 1229 O THR A 77 13.416 -7.589 13.008 1.00 0.00 O ATOM 1230 CB THR A 77 12.022 -5.558 11.936 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.204 -4.755 11.844 1.00 0.00 O ATOM 1232 CG2 THR A 77 10.846 -4.809 11.328 1.00 0.00 C ATOM 0 H THR A 77 12.814 -4.275 14.145 1.00 0.00 H new ATOM 0 HA THR A 77 10.699 -6.222 13.506 1.00 0.00 H new ATOM 0 HB THR A 77 12.169 -6.485 11.381 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.813 -4.985 12.576 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.067 -4.566 10.289 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.954 -5.434 11.372 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.672 -3.889 11.887 1.00 0.00 H new