USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 711 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 41 THR OG1 : rot -84:sc= 0.339 USER MOD Set 1.2: A 48 GLN : amide:sc= -2.68 K(o=-2.3,f=-0.94) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0486 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.408 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.9) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.384 USER MOD Single : A 20 SER OG : rot 43:sc= 0.246 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -66:sc= 0.0184 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= -0.0525 (180deg=-0.537) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.112 K(o=-0.11,f=-5.2!) USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0923) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.2! C(o=-4.2!,f=-6.1!) USER MOD Single : A 75 THR OG1 : rot 140:sc= 0.482 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -154:sc= -1.98 (180deg=-3.39!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 89 SER OG : rot 59:sc= 0.499 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.600 7.971 6.822 1.00 0.00 N ATOM 2 CA GLY A 1 20.048 7.898 6.916 1.00 0.00 C ATOM 3 C GLY A 1 20.678 9.283 6.757 1.00 0.00 C ATOM 4 O GLY A 1 20.076 10.289 7.130 1.00 0.00 O ATOM 0 H1 GLY A 1 18.174 7.456 7.619 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.300 8.966 6.853 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.288 7.543 5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.333 7.473 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.433 7.229 6.146 1.00 0.00 H new ATOM 8 N SER A 2 21.882 9.290 6.204 1.00 0.00 N ATOM 9 CA SER A 2 22.600 10.535 5.991 1.00 0.00 C ATOM 10 C SER A 2 22.178 11.162 4.661 1.00 0.00 C ATOM 11 O SER A 2 21.830 12.341 4.609 1.00 0.00 O ATOM 12 CB SER A 2 24.113 10.309 6.014 1.00 0.00 C ATOM 13 OG SER A 2 24.612 9.903 4.743 1.00 0.00 O ATOM 0 H SER A 2 22.378 8.453 5.897 1.00 0.00 H new ATOM 0 HA SER A 2 22.349 11.217 6.803 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.612 11.228 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.355 9.550 6.758 1.00 0.00 H new ATOM 0 HG SER A 2 25.581 9.771 4.799 1.00 0.00 H new ATOM 19 N SER A 3 22.222 10.346 3.618 1.00 0.00 N ATOM 20 CA SER A 3 21.848 10.806 2.292 1.00 0.00 C ATOM 21 C SER A 3 20.386 11.256 2.287 1.00 0.00 C ATOM 22 O SER A 3 19.496 10.493 2.660 1.00 0.00 O ATOM 23 CB SER A 3 22.070 9.712 1.246 1.00 0.00 C ATOM 24 OG SER A 3 23.420 9.674 0.791 1.00 0.00 O ATOM 0 H SER A 3 22.511 9.369 3.665 1.00 0.00 H new ATOM 0 HA SER A 3 22.483 11.653 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.803 8.744 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.406 9.881 0.398 1.00 0.00 H new ATOM 0 HG SER A 3 23.521 8.962 0.126 1.00 0.00 H new ATOM 30 N GLY A 4 20.182 12.494 1.860 1.00 0.00 N ATOM 31 CA GLY A 4 18.843 13.055 1.802 1.00 0.00 C ATOM 32 C GLY A 4 17.940 12.225 0.887 1.00 0.00 C ATOM 33 O GLY A 4 18.106 12.237 -0.332 1.00 0.00 O ATOM 0 H GLY A 4 20.922 13.124 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.416 13.091 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.890 14.081 1.438 1.00 0.00 H new ATOM 37 N SER A 5 17.005 11.523 1.510 1.00 0.00 N ATOM 38 CA SER A 5 16.076 10.689 0.768 1.00 0.00 C ATOM 39 C SER A 5 15.536 11.455 -0.441 1.00 0.00 C ATOM 40 O SER A 5 15.584 12.684 -0.474 1.00 0.00 O ATOM 41 CB SER A 5 14.923 10.221 1.658 1.00 0.00 C ATOM 42 OG SER A 5 14.441 8.935 1.277 1.00 0.00 O ATOM 0 H SER A 5 16.871 11.515 2.521 1.00 0.00 H new ATOM 0 HA SER A 5 16.612 9.806 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.256 10.190 2.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.108 10.943 1.605 1.00 0.00 H new ATOM 0 HG SER A 5 13.707 8.672 1.870 1.00 0.00 H new ATOM 48 N SER A 6 15.034 10.698 -1.406 1.00 0.00 N ATOM 49 CA SER A 6 14.485 11.290 -2.614 1.00 0.00 C ATOM 50 C SER A 6 13.115 10.682 -2.919 1.00 0.00 C ATOM 51 O SER A 6 12.927 9.472 -2.794 1.00 0.00 O ATOM 52 CB SER A 6 15.430 11.094 -3.801 1.00 0.00 C ATOM 53 OG SER A 6 16.291 12.214 -3.989 1.00 0.00 O ATOM 0 H SER A 6 14.996 9.679 -1.376 1.00 0.00 H new ATOM 0 HA SER A 6 14.370 12.361 -2.449 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.030 10.198 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.846 10.930 -4.706 1.00 0.00 H new ATOM 0 HG SER A 6 16.880 12.049 -4.755 1.00 0.00 H new ATOM 59 N GLY A 7 12.193 11.548 -3.314 1.00 0.00 N ATOM 60 CA GLY A 7 10.846 11.111 -3.639 1.00 0.00 C ATOM 61 C GLY A 7 10.047 10.810 -2.369 1.00 0.00 C ATOM 62 O GLY A 7 10.275 11.423 -1.327 1.00 0.00 O ATOM 0 H GLY A 7 12.353 12.550 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.339 11.883 -4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.890 10.220 -4.265 1.00 0.00 H new ATOM 66 N LEU A 8 9.126 9.866 -2.498 1.00 0.00 N ATOM 67 CA LEU A 8 8.291 9.476 -1.374 1.00 0.00 C ATOM 68 C LEU A 8 8.268 7.950 -1.266 1.00 0.00 C ATOM 69 O LEU A 8 7.506 7.286 -1.966 1.00 0.00 O ATOM 70 CB LEU A 8 6.902 10.105 -1.495 1.00 0.00 C ATOM 71 CG LEU A 8 5.956 9.875 -0.314 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.519 10.494 0.967 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.550 10.390 -0.629 1.00 0.00 C ATOM 0 H LEU A 8 8.940 9.360 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 8 8.707 9.855 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.022 11.179 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.427 9.718 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 8 5.875 8.801 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.828 10.317 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.483 10.040 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.648 11.567 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.898 10.214 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.593 11.459 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.156 9.864 -1.499 1.00 0.00 H new ATOM 85 N PRO A 9 9.136 7.425 -0.361 1.00 0.00 N ATOM 86 CA PRO A 9 9.223 5.990 -0.152 1.00 0.00 C ATOM 87 C PRO A 9 8.024 5.479 0.649 1.00 0.00 C ATOM 88 O PRO A 9 7.480 6.198 1.486 1.00 0.00 O ATOM 89 CB PRO A 9 10.548 5.775 0.560 1.00 0.00 C ATOM 90 CG PRO A 9 10.935 7.127 1.137 1.00 0.00 C ATOM 91 CD PRO A 9 10.055 8.181 0.486 1.00 0.00 C ATOM 0 HA PRO A 9 9.192 5.427 -1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.452 5.027 1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.309 5.413 -0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.801 7.133 2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.987 7.337 0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.516 8.764 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.647 8.884 -0.100 1.00 0.00 H new ATOM 99 N ILE A 10 7.647 4.241 0.364 1.00 0.00 N ATOM 100 CA ILE A 10 6.522 3.625 1.048 1.00 0.00 C ATOM 101 C ILE A 10 6.841 2.155 1.324 1.00 0.00 C ATOM 102 O ILE A 10 6.884 1.341 0.402 1.00 0.00 O ATOM 103 CB ILE A 10 5.232 3.836 0.253 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.843 5.315 0.219 1.00 0.00 C ATOM 105 CG2 ILE A 10 4.103 2.959 0.798 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.791 5.582 -0.859 1.00 0.00 C ATOM 0 H ILE A 10 8.100 3.648 -0.331 1.00 0.00 H new ATOM 0 HA ILE A 10 6.356 4.102 2.014 1.00 0.00 H new ATOM 0 HB ILE A 10 5.412 3.527 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.455 5.615 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.727 5.923 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.197 3.128 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.390 1.910 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.916 3.213 1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.533 6.641 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.191 5.304 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.899 4.991 -0.651 1.00 0.00 H new ATOM 118 N ILE A 11 7.057 1.858 2.597 1.00 0.00 N ATOM 119 CA ILE A 11 7.371 0.500 3.006 1.00 0.00 C ATOM 120 C ILE A 11 6.071 -0.284 3.198 1.00 0.00 C ATOM 121 O ILE A 11 5.108 0.233 3.762 1.00 0.00 O ATOM 122 CB ILE A 11 8.273 0.507 4.242 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.653 1.078 3.910 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.363 -0.888 4.864 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.409 1.461 5.184 1.00 0.00 C ATOM 0 H ILE A 11 7.021 2.535 3.359 1.00 0.00 H new ATOM 0 HA ILE A 11 7.939 -0.010 2.228 1.00 0.00 H new ATOM 0 HB ILE A 11 7.825 1.163 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.229 0.343 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.544 1.954 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.010 -0.855 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.368 -1.219 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.775 -1.586 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.387 1.864 4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.842 2.214 5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.538 0.578 5.810 1.00 0.00 H new ATOM 137 N VAL A 12 6.086 -1.519 2.718 1.00 0.00 N ATOM 138 CA VAL A 12 4.920 -2.379 2.829 1.00 0.00 C ATOM 139 C VAL A 12 5.308 -3.663 3.566 1.00 0.00 C ATOM 140 O VAL A 12 6.375 -4.224 3.323 1.00 0.00 O ATOM 141 CB VAL A 12 4.328 -2.641 1.443 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.930 -3.252 1.550 1.00 0.00 C ATOM 143 CG2 VAL A 12 4.305 -1.360 0.606 1.00 0.00 C ATOM 0 H VAL A 12 6.887 -1.944 2.251 1.00 0.00 H new ATOM 0 HA VAL A 12 4.140 -1.891 3.413 1.00 0.00 H new ATOM 0 HB VAL A 12 4.969 -3.361 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.532 -3.428 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.986 -4.197 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.273 -2.567 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.880 -1.574 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.698 -0.608 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.322 -0.985 0.487 1.00 0.00 H new ATOM 153 N LYS A 13 4.419 -4.090 4.451 1.00 0.00 N ATOM 154 CA LYS A 13 4.655 -5.297 5.225 1.00 0.00 C ATOM 155 C LYS A 13 3.638 -6.365 4.818 1.00 0.00 C ATOM 156 O LYS A 13 2.434 -6.115 4.824 1.00 0.00 O ATOM 157 CB LYS A 13 4.651 -4.983 6.722 1.00 0.00 C ATOM 158 CG LYS A 13 5.978 -4.358 7.155 1.00 0.00 C ATOM 159 CD LYS A 13 6.253 -4.626 8.636 1.00 0.00 C ATOM 160 CE LYS A 13 7.593 -4.023 9.063 1.00 0.00 C ATOM 161 NZ LYS A 13 7.386 -2.974 10.086 1.00 0.00 N ATOM 0 H LYS A 13 3.535 -3.622 4.649 1.00 0.00 H new ATOM 0 HA LYS A 13 5.645 -5.700 5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.832 -4.302 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.474 -5.897 7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.790 -4.764 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.954 -3.283 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.451 -4.203 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.259 -5.700 8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.240 -4.805 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.101 -3.599 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.305 -2.575 10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.786 -2.220 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.921 -3.388 10.919 1.00 0.00 H new ATOM 175 N TRP A 14 4.160 -7.533 4.473 1.00 0.00 N ATOM 176 CA TRP A 14 3.313 -8.640 4.064 1.00 0.00 C ATOM 177 C TRP A 14 3.720 -9.872 4.875 1.00 0.00 C ATOM 178 O TRP A 14 4.710 -10.529 4.558 1.00 0.00 O ATOM 179 CB TRP A 14 3.396 -8.865 2.553 1.00 0.00 C ATOM 180 CG TRP A 14 2.495 -9.990 2.040 1.00 0.00 C ATOM 181 CD1 TRP A 14 1.376 -10.471 2.600 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.682 -10.760 0.834 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.831 -11.491 1.846 1.00 0.00 N ATOM 184 CE2 TRP A 14 1.651 -11.672 0.738 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.690 -10.689 -0.144 1.00 0.00 C ATOM 186 CZ2 TRP A 14 1.527 -12.581 -0.319 1.00 0.00 C ATOM 187 CZ3 TRP A 14 3.552 -11.604 -1.194 1.00 0.00 C ATOM 188 CH2 TRP A 14 2.520 -12.528 -1.305 1.00 0.00 C ATOM 0 H TRP A 14 5.159 -7.737 4.468 1.00 0.00 H new ATOM 0 HA TRP A 14 2.265 -8.419 4.268 1.00 0.00 H new ATOM 0 HB2 TRP A 14 3.130 -7.939 2.043 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.429 -9.090 2.286 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.954 -10.106 3.525 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.017 -12.015 2.062 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.506 -9.984 -0.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 0.710 -13.285 -0.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 4.300 -11.591 -1.973 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.484 -13.202 -2.148 1.00 0.00 H new ATOM 199 N GLY A 15 2.935 -10.148 5.906 1.00 0.00 N ATOM 200 CA GLY A 15 3.201 -11.289 6.765 1.00 0.00 C ATOM 201 C GLY A 15 4.584 -11.178 7.412 1.00 0.00 C ATOM 202 O GLY A 15 4.701 -10.778 8.569 1.00 0.00 O ATOM 0 H GLY A 15 2.114 -9.601 6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.437 -11.351 7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.141 -12.209 6.183 1.00 0.00 H new ATOM 206 N GLY A 16 5.595 -11.540 6.636 1.00 0.00 N ATOM 207 CA GLY A 16 6.965 -11.486 7.119 1.00 0.00 C ATOM 208 C GLY A 16 7.914 -11.001 6.021 1.00 0.00 C ATOM 209 O GLY A 16 9.109 -11.290 6.056 1.00 0.00 O ATOM 0 H GLY A 16 5.493 -11.872 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.026 -10.818 7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.273 -12.474 7.461 1.00 0.00 H new ATOM 213 N GLN A 17 7.346 -10.270 5.073 1.00 0.00 N ATOM 214 CA GLN A 17 8.127 -9.742 3.967 1.00 0.00 C ATOM 215 C GLN A 17 7.896 -8.236 3.826 1.00 0.00 C ATOM 216 O GLN A 17 6.756 -7.788 3.710 1.00 0.00 O ATOM 217 CB GLN A 17 7.796 -10.472 2.664 1.00 0.00 C ATOM 218 CG GLN A 17 8.477 -11.841 2.614 1.00 0.00 C ATOM 219 CD GLN A 17 9.941 -11.710 2.187 1.00 0.00 C ATOM 220 OE1 GLN A 17 10.534 -10.645 2.230 1.00 0.00 O ATOM 221 NE2 GLN A 17 10.488 -12.850 1.773 1.00 0.00 N ATOM 0 H GLN A 17 6.355 -10.031 5.048 1.00 0.00 H new ATOM 0 HA GLN A 17 9.183 -9.910 4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.717 -10.595 2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.118 -9.870 1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.421 -12.315 3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.947 -12.489 1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.935 -13.707 1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.461 -12.867 1.466 1.00 0.00 H new ATOM 230 N GLU A 18 8.995 -7.497 3.840 1.00 0.00 N ATOM 231 CA GLU A 18 8.927 -6.051 3.715 1.00 0.00 C ATOM 232 C GLU A 18 9.289 -5.624 2.291 1.00 0.00 C ATOM 233 O GLU A 18 10.171 -6.212 1.668 1.00 0.00 O ATOM 234 CB GLU A 18 9.835 -5.369 4.740 1.00 0.00 C ATOM 235 CG GLU A 18 9.390 -5.691 6.168 1.00 0.00 C ATOM 236 CD GLU A 18 10.597 -5.918 7.080 1.00 0.00 C ATOM 237 OE1 GLU A 18 11.519 -5.077 7.020 1.00 0.00 O ATOM 238 OE2 GLU A 18 10.569 -6.928 7.817 1.00 0.00 O ATOM 0 H GLU A 18 9.938 -7.873 3.936 1.00 0.00 H new ATOM 0 HA GLU A 18 7.904 -5.736 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.864 -5.696 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.818 -4.290 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.784 -4.873 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.760 -6.580 6.165 1.00 0.00 H new ATOM 245 N TYR A 19 8.589 -4.603 1.818 1.00 0.00 N ATOM 246 CA TYR A 19 8.826 -4.090 0.479 1.00 0.00 C ATOM 247 C TYR A 19 9.022 -2.572 0.500 1.00 0.00 C ATOM 248 O TYR A 19 8.235 -1.850 1.111 1.00 0.00 O ATOM 249 CB TYR A 19 7.568 -4.419 -0.327 1.00 0.00 C ATOM 250 CG TYR A 19 7.297 -5.917 -0.474 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.980 -6.673 0.637 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.370 -6.513 -1.716 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.725 -8.084 0.499 1.00 0.00 C ATOM 254 CE2 TYR A 19 7.115 -7.924 -1.854 1.00 0.00 C ATOM 255 CZ TYR A 19 6.805 -8.640 -0.740 1.00 0.00 C ATOM 256 OH TYR A 19 6.565 -9.972 -0.871 1.00 0.00 O ATOM 0 H TYR A 19 7.858 -4.117 2.338 1.00 0.00 H new ATOM 0 HA TYR A 19 9.725 -4.534 0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.709 -3.950 0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.659 -3.978 -1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.923 -6.207 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.618 -5.922 -2.585 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.476 -8.687 1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.169 -8.403 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 19 6.657 -10.230 -1.812 1.00 0.00 H new ATOM 266 N SER A 20 10.074 -2.134 -0.174 1.00 0.00 N ATOM 267 CA SER A 20 10.383 -0.716 -0.241 1.00 0.00 C ATOM 268 C SER A 20 9.852 -0.126 -1.548 1.00 0.00 C ATOM 269 O SER A 20 10.457 -0.303 -2.605 1.00 0.00 O ATOM 270 CB SER A 20 11.889 -0.474 -0.122 1.00 0.00 C ATOM 271 OG SER A 20 12.634 -1.298 -1.015 1.00 0.00 O ATOM 0 H SER A 20 10.724 -2.736 -0.679 1.00 0.00 H new ATOM 0 HA SER A 20 9.896 -0.220 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.105 0.574 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.208 -0.668 0.902 1.00 0.00 H new ATOM 0 HG SER A 20 12.197 -1.309 -1.892 1.00 0.00 H new ATOM 277 N VAL A 21 8.726 0.564 -1.435 1.00 0.00 N ATOM 278 CA VAL A 21 8.107 1.182 -2.595 1.00 0.00 C ATOM 279 C VAL A 21 8.753 2.545 -2.848 1.00 0.00 C ATOM 280 O VAL A 21 8.682 3.436 -2.002 1.00 0.00 O ATOM 281 CB VAL A 21 6.592 1.265 -2.397 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.895 1.718 -3.682 1.00 0.00 C ATOM 283 CG2 VAL A 21 6.028 -0.071 -1.909 1.00 0.00 C ATOM 0 H VAL A 21 8.227 0.708 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 21 8.272 0.575 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 21 6.396 2.012 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.819 1.769 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.264 2.703 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.104 1.006 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.950 0.016 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.242 -0.847 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.490 -0.335 -0.958 1.00 0.00 H new ATOM 293 N THR A 22 9.369 2.666 -4.015 1.00 0.00 N ATOM 294 CA THR A 22 10.027 3.906 -4.389 1.00 0.00 C ATOM 295 C THR A 22 10.035 4.067 -5.910 1.00 0.00 C ATOM 296 O THR A 22 11.004 4.569 -6.479 1.00 0.00 O ATOM 297 CB THR A 22 11.426 3.904 -3.770 1.00 0.00 C ATOM 298 OG1 THR A 22 12.020 2.704 -4.258 1.00 0.00 O ATOM 299 CG2 THR A 22 11.395 3.715 -2.252 1.00 0.00 C ATOM 0 H THR A 22 9.426 1.925 -4.714 1.00 0.00 H new ATOM 0 HA THR A 22 9.488 4.772 -4.005 1.00 0.00 H new ATOM 0 HB THR A 22 11.929 4.841 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.931 2.624 -3.907 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.413 3.721 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.828 4.526 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.922 2.763 -2.014 1.00 0.00 H new ATOM 307 N THR A 23 8.946 3.632 -6.526 1.00 0.00 N ATOM 308 CA THR A 23 8.816 3.722 -7.970 1.00 0.00 C ATOM 309 C THR A 23 7.775 4.778 -8.347 1.00 0.00 C ATOM 310 O THR A 23 7.946 5.501 -9.328 1.00 0.00 O ATOM 311 CB THR A 23 8.485 2.326 -8.502 1.00 0.00 C ATOM 312 OG1 THR A 23 9.684 1.584 -8.299 1.00 0.00 O ATOM 313 CG2 THR A 23 8.290 2.309 -10.020 1.00 0.00 C ATOM 0 H THR A 23 8.145 3.216 -6.051 1.00 0.00 H new ATOM 0 HA THR A 23 9.747 4.050 -8.432 1.00 0.00 H new ATOM 0 HB THR A 23 7.582 1.957 -8.015 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.557 0.665 -8.615 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.057 1.295 -10.346 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.469 2.974 -10.289 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.205 2.646 -10.508 1.00 0.00 H new ATOM 321 N LEU A 24 6.719 4.834 -7.549 1.00 0.00 N ATOM 322 CA LEU A 24 5.651 5.790 -7.786 1.00 0.00 C ATOM 323 C LEU A 24 5.835 6.995 -6.861 1.00 0.00 C ATOM 324 O LEU A 24 6.572 6.920 -5.878 1.00 0.00 O ATOM 325 CB LEU A 24 4.286 5.113 -7.650 1.00 0.00 C ATOM 326 CG LEU A 24 4.107 4.204 -6.432 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.665 4.249 -5.922 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.560 2.776 -6.743 1.00 0.00 C ATOM 0 H LEU A 24 6.580 4.232 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 24 5.695 6.164 -8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.520 5.888 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.104 4.524 -8.549 1.00 0.00 H new ATOM 0 HG LEU A 24 4.744 4.577 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.565 3.594 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.412 5.270 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.990 3.915 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.422 2.150 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.967 2.378 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.613 2.781 -7.023 1.00 0.00 H new ATOM 340 N SER A 25 5.154 8.076 -7.208 1.00 0.00 N ATOM 341 CA SER A 25 5.233 9.295 -6.421 1.00 0.00 C ATOM 342 C SER A 25 3.828 9.848 -6.170 1.00 0.00 C ATOM 343 O SER A 25 2.843 9.292 -6.652 1.00 0.00 O ATOM 344 CB SER A 25 6.100 10.345 -7.117 1.00 0.00 C ATOM 345 OG SER A 25 7.485 10.013 -7.067 1.00 0.00 O ATOM 0 H SER A 25 4.545 8.134 -8.024 1.00 0.00 H new ATOM 0 HA SER A 25 5.698 9.055 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.788 10.441 -8.157 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.943 11.315 -6.646 1.00 0.00 H new ATOM 0 HG SER A 25 8.005 10.707 -7.524 1.00 0.00 H new ATOM 351 N GLU A 26 3.782 10.937 -5.417 1.00 0.00 N ATOM 352 CA GLU A 26 2.515 11.572 -5.096 1.00 0.00 C ATOM 353 C GLU A 26 1.589 11.553 -6.314 1.00 0.00 C ATOM 354 O GLU A 26 0.412 11.213 -6.199 1.00 0.00 O ATOM 355 CB GLU A 26 2.729 13.000 -4.592 1.00 0.00 C ATOM 356 CG GLU A 26 3.404 13.002 -3.219 1.00 0.00 C ATOM 357 CD GLU A 26 3.988 14.379 -2.897 1.00 0.00 C ATOM 358 OE1 GLU A 26 4.390 15.065 -3.862 1.00 0.00 O ATOM 359 OE2 GLU A 26 4.018 14.715 -1.693 1.00 0.00 O ATOM 0 H GLU A 26 4.602 11.396 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 26 2.040 11.007 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.343 13.552 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.770 13.515 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.680 12.722 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.196 12.253 -3.198 1.00 0.00 H new ATOM 366 N ASP A 27 2.155 11.922 -7.454 1.00 0.00 N ATOM 367 CA ASP A 27 1.395 11.952 -8.692 1.00 0.00 C ATOM 368 C ASP A 27 0.496 10.715 -8.764 1.00 0.00 C ATOM 369 O ASP A 27 -0.727 10.834 -8.807 1.00 0.00 O ATOM 370 CB ASP A 27 2.322 11.934 -9.908 1.00 0.00 C ATOM 371 CG ASP A 27 1.759 12.608 -11.161 1.00 0.00 C ATOM 372 OD1 ASP A 27 1.414 13.804 -11.055 1.00 0.00 O ATOM 373 OD2 ASP A 27 1.686 11.911 -12.196 1.00 0.00 O ATOM 0 H ASP A 27 3.131 12.203 -7.546 1.00 0.00 H new ATOM 0 HA ASP A 27 0.804 12.868 -8.703 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.258 12.424 -9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.562 10.898 -10.148 1.00 0.00 H new ATOM 378 N ASP A 28 1.139 9.557 -8.774 1.00 0.00 N ATOM 379 CA ASP A 28 0.413 8.299 -8.840 1.00 0.00 C ATOM 380 C ASP A 28 -0.650 8.271 -7.740 1.00 0.00 C ATOM 381 O ASP A 28 -0.488 8.905 -6.699 1.00 0.00 O ATOM 382 CB ASP A 28 1.351 7.111 -8.622 1.00 0.00 C ATOM 383 CG ASP A 28 2.190 6.717 -9.839 1.00 0.00 C ATOM 384 OD1 ASP A 28 3.226 7.382 -10.054 1.00 0.00 O ATOM 385 OD2 ASP A 28 1.776 5.759 -10.528 1.00 0.00 O ATOM 0 H ASP A 28 2.154 9.463 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.042 8.223 -9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.023 7.345 -7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.757 6.250 -8.315 1.00 0.00 H new ATOM 390 N THR A 29 -1.714 7.529 -8.010 1.00 0.00 N ATOM 391 CA THR A 29 -2.804 7.409 -7.056 1.00 0.00 C ATOM 392 C THR A 29 -2.685 6.101 -6.272 1.00 0.00 C ATOM 393 O THR A 29 -1.742 5.337 -6.471 1.00 0.00 O ATOM 394 CB THR A 29 -4.121 7.541 -7.824 1.00 0.00 C ATOM 395 OG1 THR A 29 -4.297 6.263 -8.431 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.015 8.504 -9.008 1.00 0.00 C ATOM 0 H THR A 29 -1.845 7.005 -8.875 1.00 0.00 H new ATOM 0 HA THR A 29 -2.766 8.202 -6.310 1.00 0.00 H new ATOM 0 HB THR A 29 -4.903 7.884 -7.147 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.597 6.120 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.977 8.561 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.736 9.494 -8.648 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.256 8.144 -9.703 1.00 0.00 H new ATOM 404 N VAL A 30 -3.656 5.883 -5.397 1.00 0.00 N ATOM 405 CA VAL A 30 -3.672 4.680 -4.582 1.00 0.00 C ATOM 406 C VAL A 30 -3.757 3.454 -5.492 1.00 0.00 C ATOM 407 O VAL A 30 -3.090 2.449 -5.250 1.00 0.00 O ATOM 408 CB VAL A 30 -4.815 4.752 -3.566 1.00 0.00 C ATOM 409 CG1 VAL A 30 -5.005 3.408 -2.860 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.580 5.875 -2.555 1.00 0.00 C ATOM 0 H VAL A 30 -4.437 6.519 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.749 4.595 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.733 4.978 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.823 3.486 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.240 2.640 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.088 3.139 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.406 5.904 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.648 5.694 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.518 6.829 -3.079 1.00 0.00 H new ATOM 420 N LEU A 31 -4.583 3.576 -6.521 1.00 0.00 N ATOM 421 CA LEU A 31 -4.764 2.490 -7.469 1.00 0.00 C ATOM 422 C LEU A 31 -3.398 2.043 -7.993 1.00 0.00 C ATOM 423 O LEU A 31 -3.101 0.850 -8.025 1.00 0.00 O ATOM 424 CB LEU A 31 -5.742 2.898 -8.572 1.00 0.00 C ATOM 425 CG LEU A 31 -6.240 1.771 -9.479 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.298 0.923 -8.769 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.748 2.323 -10.812 1.00 0.00 C ATOM 0 H LEU A 31 -5.135 4.411 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.215 1.628 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.606 3.371 -8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.262 3.653 -9.195 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.398 1.116 -9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.635 0.129 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.868 0.483 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.145 1.552 -8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.096 1.501 -11.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.571 3.014 -10.630 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.939 2.848 -11.320 1.00 0.00 H new ATOM 439 N ASP A 32 -2.602 3.025 -8.390 1.00 0.00 N ATOM 440 CA ASP A 32 -1.274 2.748 -8.911 1.00 0.00 C ATOM 441 C ASP A 32 -0.506 1.887 -7.906 1.00 0.00 C ATOM 442 O ASP A 32 0.008 0.826 -8.258 1.00 0.00 O ATOM 443 CB ASP A 32 -0.486 4.041 -9.125 1.00 0.00 C ATOM 444 CG ASP A 32 -0.825 4.800 -10.410 1.00 0.00 C ATOM 445 OD1 ASP A 32 -0.232 4.446 -11.452 1.00 0.00 O ATOM 446 OD2 ASP A 32 -1.670 5.717 -10.321 1.00 0.00 O ATOM 0 H ASP A 32 -2.851 4.014 -8.361 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.387 2.232 -9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.661 4.700 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.578 3.804 -9.131 1.00 0.00 H new ATOM 451 N LEU A 33 -0.453 2.376 -6.676 1.00 0.00 N ATOM 452 CA LEU A 33 0.244 1.664 -5.618 1.00 0.00 C ATOM 453 C LEU A 33 -0.287 0.232 -5.537 1.00 0.00 C ATOM 454 O LEU A 33 0.478 -0.725 -5.648 1.00 0.00 O ATOM 455 CB LEU A 33 0.142 2.433 -4.299 1.00 0.00 C ATOM 456 CG LEU A 33 1.068 1.961 -3.175 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.404 2.705 -3.217 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.384 2.088 -1.812 1.00 0.00 C ATOM 0 H LEU A 33 -0.881 3.256 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 33 1.309 1.597 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.350 3.484 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.887 2.373 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 33 1.283 0.904 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.043 2.351 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.893 2.521 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.229 3.774 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.063 1.746 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.120 3.130 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.519 1.478 -1.800 1.00 0.00 H new ATOM 470 N LYS A 34 -1.594 0.129 -5.345 1.00 0.00 N ATOM 471 CA LYS A 34 -2.236 -1.171 -5.248 1.00 0.00 C ATOM 472 C LYS A 34 -1.826 -2.029 -6.447 1.00 0.00 C ATOM 473 O LYS A 34 -1.156 -3.048 -6.285 1.00 0.00 O ATOM 474 CB LYS A 34 -3.750 -1.011 -5.097 1.00 0.00 C ATOM 475 CG LYS A 34 -4.095 -0.226 -3.829 1.00 0.00 C ATOM 476 CD LYS A 34 -5.595 0.065 -3.755 1.00 0.00 C ATOM 477 CE LYS A 34 -6.158 -0.308 -2.382 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.619 -0.532 -2.465 1.00 0.00 N ATOM 0 H LYS A 34 -2.226 0.925 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.902 -1.694 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.154 -0.496 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.221 -1.993 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.787 -0.794 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.538 0.711 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.774 1.122 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.117 -0.496 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.666 -1.208 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.946 0.487 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.985 -0.784 -1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.085 0.337 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.814 -1.306 -3.132 1.00 0.00 H new ATOM 492 N GLN A 35 -2.244 -1.584 -7.623 1.00 0.00 N ATOM 493 CA GLN A 35 -1.928 -2.298 -8.848 1.00 0.00 C ATOM 494 C GLN A 35 -0.488 -2.815 -8.805 1.00 0.00 C ATOM 495 O GLN A 35 -0.220 -3.949 -9.199 1.00 0.00 O ATOM 496 CB GLN A 35 -2.155 -1.411 -10.074 1.00 0.00 C ATOM 497 CG GLN A 35 -3.623 -1.435 -10.503 1.00 0.00 C ATOM 498 CD GLN A 35 -3.750 -1.377 -12.027 1.00 0.00 C ATOM 499 OE1 GLN A 35 -2.905 -1.856 -12.765 1.00 0.00 O ATOM 500 NE2 GLN A 35 -4.851 -0.766 -12.455 1.00 0.00 N ATOM 0 H GLN A 35 -2.799 -0.738 -7.753 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.599 -3.153 -8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.855 -0.388 -9.848 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.526 -1.753 -10.896 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.100 -2.341 -10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.149 -0.591 -10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.518 -0.387 -11.783 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.028 -0.676 -13.455 1.00 0.00 H new ATOM 509 N PHE A 36 0.400 -1.959 -8.322 1.00 0.00 N ATOM 510 CA PHE A 36 1.805 -2.315 -8.223 1.00 0.00 C ATOM 511 C PHE A 36 2.030 -3.357 -7.125 1.00 0.00 C ATOM 512 O PHE A 36 2.738 -4.341 -7.334 1.00 0.00 O ATOM 513 CB PHE A 36 2.566 -1.038 -7.860 1.00 0.00 C ATOM 514 CG PHE A 36 4.074 -1.122 -8.101 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.548 -1.596 -9.284 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.941 -0.724 -7.132 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.949 -1.675 -9.508 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.341 -0.802 -7.355 1.00 0.00 C ATOM 519 CZ PHE A 36 6.815 -1.276 -8.539 1.00 0.00 C ATOM 0 H PHE A 36 0.174 -1.020 -7.995 1.00 0.00 H new ATOM 0 HA PHE A 36 2.148 -2.739 -9.166 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.161 -0.209 -8.441 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.389 -0.808 -6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.860 -1.913 -10.054 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.564 -0.348 -6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.326 -2.052 -10.447 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.029 -0.485 -6.585 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.880 -1.335 -8.709 1.00 0.00 H new ATOM 529 N LEU A 37 1.414 -3.105 -5.979 1.00 0.00 N ATOM 530 CA LEU A 37 1.539 -4.009 -4.848 1.00 0.00 C ATOM 531 C LEU A 37 0.986 -5.382 -5.235 1.00 0.00 C ATOM 532 O LEU A 37 1.529 -6.409 -4.831 1.00 0.00 O ATOM 533 CB LEU A 37 0.877 -3.408 -3.607 1.00 0.00 C ATOM 534 CG LEU A 37 1.451 -2.076 -3.119 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.356 -1.196 -2.512 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.610 -2.302 -2.146 1.00 0.00 C ATOM 0 H LEU A 37 0.827 -2.288 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 37 2.588 -4.149 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.184 -3.269 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.949 -4.131 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 37 1.853 -1.542 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.791 -0.256 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.406 -0.993 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.098 -1.712 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.000 -1.340 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.256 -2.867 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.401 -2.861 -2.646 1.00 0.00 H new ATOM 548 N LYS A 38 -0.085 -5.355 -6.014 1.00 0.00 N ATOM 549 CA LYS A 38 -0.717 -6.586 -6.460 1.00 0.00 C ATOM 550 C LYS A 38 0.301 -7.425 -7.235 1.00 0.00 C ATOM 551 O LYS A 38 0.166 -8.644 -7.326 1.00 0.00 O ATOM 552 CB LYS A 38 -1.989 -6.278 -7.252 1.00 0.00 C ATOM 553 CG LYS A 38 -2.693 -7.567 -7.682 1.00 0.00 C ATOM 554 CD LYS A 38 -2.959 -7.569 -9.189 1.00 0.00 C ATOM 555 CE LYS A 38 -4.139 -8.480 -9.536 1.00 0.00 C ATOM 556 NZ LYS A 38 -3.859 -9.241 -10.774 1.00 0.00 N ATOM 0 H LYS A 38 -0.531 -4.501 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.037 -7.181 -5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.664 -5.676 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.739 -5.685 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.079 -8.427 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.635 -7.669 -7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.167 -6.554 -9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.068 -7.905 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.328 -9.169 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.042 -7.883 -9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.669 -9.854 -10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.701 -8.579 -11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.010 -9.826 -10.638 1.00 0.00 H new ATOM 570 N THR A 39 1.299 -6.738 -7.773 1.00 0.00 N ATOM 571 CA THR A 39 2.340 -7.405 -8.537 1.00 0.00 C ATOM 572 C THR A 39 3.519 -7.765 -7.631 1.00 0.00 C ATOM 573 O THR A 39 4.124 -8.824 -7.785 1.00 0.00 O ATOM 574 CB THR A 39 2.726 -6.495 -9.704 1.00 0.00 C ATOM 575 OG1 THR A 39 1.727 -6.749 -10.688 1.00 0.00 O ATOM 576 CG2 THR A 39 4.031 -6.927 -10.377 1.00 0.00 C ATOM 0 H THR A 39 1.408 -5.727 -7.695 1.00 0.00 H new ATOM 0 HA THR A 39 1.986 -8.351 -8.947 1.00 0.00 H new ATOM 0 HB THR A 39 2.824 -5.470 -9.347 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.900 -6.198 -11.480 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.259 -6.248 -11.198 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.842 -6.901 -9.649 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.923 -7.940 -10.764 1.00 0.00 H new ATOM 584 N LEU A 40 3.809 -6.862 -6.706 1.00 0.00 N ATOM 585 CA LEU A 40 4.905 -7.071 -5.775 1.00 0.00 C ATOM 586 C LEU A 40 4.644 -8.342 -4.963 1.00 0.00 C ATOM 587 O LEU A 40 5.537 -9.171 -4.797 1.00 0.00 O ATOM 588 CB LEU A 40 5.122 -5.825 -4.914 1.00 0.00 C ATOM 589 CG LEU A 40 5.546 -4.559 -5.661 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.529 -3.343 -4.733 1.00 0.00 C ATOM 591 CD2 LEU A 40 6.908 -4.749 -6.332 1.00 0.00 C ATOM 0 H LEU A 40 3.304 -5.984 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 40 5.839 -7.224 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.198 -5.613 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.881 -6.053 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 40 4.821 -4.370 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.834 -2.457 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.522 -3.197 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.219 -3.507 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.186 -3.835 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.658 -4.976 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.851 -5.572 -7.044 1.00 0.00 H new ATOM 603 N THR A 41 3.416 -8.454 -4.479 1.00 0.00 N ATOM 604 CA THR A 41 3.026 -9.609 -3.688 1.00 0.00 C ATOM 605 C THR A 41 2.417 -10.688 -4.586 1.00 0.00 C ATOM 606 O THR A 41 2.838 -11.843 -4.547 1.00 0.00 O ATOM 607 CB THR A 41 2.079 -9.130 -2.586 1.00 0.00 C ATOM 608 OG1 THR A 41 1.208 -8.217 -3.249 1.00 0.00 O ATOM 609 CG2 THR A 41 2.788 -8.272 -1.537 1.00 0.00 C ATOM 0 H THR A 41 2.678 -7.764 -4.619 1.00 0.00 H new ATOM 0 HA THR A 41 3.890 -10.074 -3.214 1.00 0.00 H new ATOM 0 HB THR A 41 1.621 -9.992 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.630 -7.333 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.071 -7.958 -0.778 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.582 -8.853 -1.068 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.217 -7.392 -2.016 1.00 0.00 H new ATOM 617 N GLY A 42 1.435 -10.273 -5.373 1.00 0.00 N ATOM 618 CA GLY A 42 0.764 -11.190 -6.279 1.00 0.00 C ATOM 619 C GLY A 42 -0.662 -11.481 -5.808 1.00 0.00 C ATOM 620 O GLY A 42 -1.219 -12.534 -6.114 1.00 0.00 O ATOM 0 H GLY A 42 1.088 -9.314 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.740 -10.763 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.327 -12.121 -6.342 1.00 0.00 H new ATOM 624 N VAL A 43 -1.213 -10.528 -5.070 1.00 0.00 N ATOM 625 CA VAL A 43 -2.564 -10.668 -4.554 1.00 0.00 C ATOM 626 C VAL A 43 -3.434 -9.532 -5.098 1.00 0.00 C ATOM 627 O VAL A 43 -2.992 -8.386 -5.168 1.00 0.00 O ATOM 628 CB VAL A 43 -2.537 -10.720 -3.025 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.954 -10.679 -2.450 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.781 -11.956 -2.532 1.00 0.00 C ATOM 0 H VAL A 43 -0.748 -9.656 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.006 -11.606 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.005 -9.838 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.906 -10.717 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.446 -9.757 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.521 -11.534 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.776 -11.969 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.272 -12.855 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.755 -11.925 -2.899 1.00 0.00 H new ATOM 640 N LEU A 44 -4.654 -9.890 -5.468 1.00 0.00 N ATOM 641 CA LEU A 44 -5.590 -8.916 -6.003 1.00 0.00 C ATOM 642 C LEU A 44 -5.470 -7.612 -5.212 1.00 0.00 C ATOM 643 O LEU A 44 -5.113 -7.626 -4.035 1.00 0.00 O ATOM 644 CB LEU A 44 -7.007 -9.491 -6.029 1.00 0.00 C ATOM 645 CG LEU A 44 -7.270 -10.582 -7.069 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.690 -11.135 -6.937 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.983 -10.071 -8.483 1.00 0.00 C ATOM 0 H LEU A 44 -5.017 -10.842 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.347 -8.684 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.231 -9.896 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.706 -8.673 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.584 -11.408 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.850 -11.909 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.824 -11.561 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.409 -10.330 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.178 -10.865 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.627 -9.219 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.939 -9.764 -8.554 1.00 0.00 H new ATOM 659 N PRO A 45 -5.783 -6.486 -5.908 1.00 0.00 N ATOM 660 CA PRO A 45 -5.713 -5.176 -5.283 1.00 0.00 C ATOM 661 C PRO A 45 -6.893 -4.958 -4.334 1.00 0.00 C ATOM 662 O PRO A 45 -6.795 -4.183 -3.383 1.00 0.00 O ATOM 663 CB PRO A 45 -5.691 -4.189 -6.439 1.00 0.00 C ATOM 664 CG PRO A 45 -6.216 -4.950 -7.646 1.00 0.00 C ATOM 665 CD PRO A 45 -6.209 -6.431 -7.303 1.00 0.00 C ATOM 0 HA PRO A 45 -4.829 -5.055 -4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.314 -3.321 -6.223 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.681 -3.820 -6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.225 -4.621 -7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.593 -4.758 -8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.197 -6.872 -7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.526 -6.984 -7.948 1.00 0.00 H new ATOM 673 N GLU A 46 -7.981 -5.656 -4.624 1.00 0.00 N ATOM 674 CA GLU A 46 -9.179 -5.549 -3.808 1.00 0.00 C ATOM 675 C GLU A 46 -8.987 -6.292 -2.484 1.00 0.00 C ATOM 676 O GLU A 46 -9.329 -5.774 -1.422 1.00 0.00 O ATOM 677 CB GLU A 46 -10.403 -6.074 -4.559 1.00 0.00 C ATOM 678 CG GLU A 46 -10.281 -7.576 -4.825 1.00 0.00 C ATOM 679 CD GLU A 46 -11.434 -8.074 -5.699 1.00 0.00 C ATOM 680 OE1 GLU A 46 -11.704 -7.402 -6.718 1.00 0.00 O ATOM 681 OE2 GLU A 46 -12.018 -9.115 -5.328 1.00 0.00 O ATOM 0 H GLU A 46 -8.058 -6.298 -5.413 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.353 -4.495 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.303 -5.876 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.510 -5.541 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.331 -7.786 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.277 -8.117 -3.879 1.00 0.00 H new ATOM 688 N ARG A 47 -8.440 -7.494 -2.591 1.00 0.00 N ATOM 689 CA ARG A 47 -8.199 -8.314 -1.416 1.00 0.00 C ATOM 690 C ARG A 47 -7.115 -7.681 -0.540 1.00 0.00 C ATOM 691 O ARG A 47 -7.249 -7.632 0.681 1.00 0.00 O ATOM 692 CB ARG A 47 -7.766 -9.727 -1.809 1.00 0.00 C ATOM 693 CG ARG A 47 -8.892 -10.463 -2.537 1.00 0.00 C ATOM 694 CD ARG A 47 -9.436 -11.613 -1.687 1.00 0.00 C ATOM 695 NE ARG A 47 -10.845 -11.887 -2.047 1.00 0.00 N ATOM 696 CZ ARG A 47 -11.226 -12.510 -3.170 1.00 0.00 C ATOM 697 NH1 ARG A 47 -10.305 -12.928 -4.049 1.00 0.00 N ATOM 698 NH2 ARG A 47 -12.527 -12.716 -3.414 1.00 0.00 N ATOM 0 H ARG A 47 -8.157 -7.920 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.133 -8.375 -0.858 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.886 -9.676 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.479 -10.285 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.697 -9.765 -2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.523 -10.851 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.832 -12.507 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.365 -11.359 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.572 -11.582 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.314 -12.772 -3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.595 -13.402 -4.904 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.228 -12.398 -2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.817 -13.190 -4.269 1.00 0.00 H new ATOM 712 N GLN A 48 -6.066 -7.212 -1.200 1.00 0.00 N ATOM 713 CA GLN A 48 -4.960 -6.584 -0.497 1.00 0.00 C ATOM 714 C GLN A 48 -5.485 -5.579 0.530 1.00 0.00 C ATOM 715 O GLN A 48 -6.047 -4.548 0.163 1.00 0.00 O ATOM 716 CB GLN A 48 -3.997 -5.913 -1.479 1.00 0.00 C ATOM 717 CG GLN A 48 -2.911 -6.889 -1.935 1.00 0.00 C ATOM 718 CD GLN A 48 -1.745 -6.144 -2.590 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.604 -6.228 -2.165 1.00 0.00 O ATOM 720 NE2 GLN A 48 -2.094 -5.414 -3.645 1.00 0.00 N ATOM 0 H GLN A 48 -5.959 -7.254 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.405 -7.358 0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.550 -5.548 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.536 -5.045 -1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.548 -7.460 -1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.333 -7.604 -2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.068 -5.388 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.388 -4.880 -4.152 1.00 0.00 H new ATOM 729 N LYS A 49 -5.285 -5.915 1.795 1.00 0.00 N ATOM 730 CA LYS A 49 -5.731 -5.054 2.878 1.00 0.00 C ATOM 731 C LYS A 49 -4.555 -4.209 3.370 1.00 0.00 C ATOM 732 O LYS A 49 -3.589 -4.741 3.916 1.00 0.00 O ATOM 733 CB LYS A 49 -6.398 -5.881 3.979 1.00 0.00 C ATOM 734 CG LYS A 49 -7.738 -5.267 4.391 1.00 0.00 C ATOM 735 CD LYS A 49 -7.587 -4.419 5.656 1.00 0.00 C ATOM 736 CE LYS A 49 -7.059 -3.023 5.320 1.00 0.00 C ATOM 737 NZ LYS A 49 -8.143 -2.020 5.425 1.00 0.00 N ATOM 0 H LYS A 49 -4.820 -6.772 2.095 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.495 -4.361 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.554 -6.901 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.739 -5.939 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.124 -4.650 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.467 -6.059 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.550 -4.336 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.906 -4.912 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.247 -2.762 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.646 -3.017 4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.768 -1.078 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.905 -2.262 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.518 -2.015 6.395 1.00 0.00 H new ATOM 751 N LEU A 50 -4.674 -2.906 3.159 1.00 0.00 N ATOM 752 CA LEU A 50 -3.633 -1.982 3.575 1.00 0.00 C ATOM 753 C LEU A 50 -3.944 -1.469 4.982 1.00 0.00 C ATOM 754 O LEU A 50 -5.072 -1.065 5.264 1.00 0.00 O ATOM 755 CB LEU A 50 -3.459 -0.870 2.539 1.00 0.00 C ATOM 756 CG LEU A 50 -3.071 -1.321 1.129 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.478 -0.162 0.326 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.129 -2.526 1.178 1.00 0.00 C ATOM 0 H LEU A 50 -5.476 -2.469 2.705 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.671 -2.491 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.392 -0.310 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.697 -0.180 2.901 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.976 -1.641 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.211 -0.510 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.213 0.639 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.587 0.212 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.869 -2.826 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.223 -2.257 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.624 -3.354 1.686 1.00 0.00 H new ATOM 770 N LEU A 51 -2.925 -1.500 5.828 1.00 0.00 N ATOM 771 CA LEU A 51 -3.076 -1.043 7.199 1.00 0.00 C ATOM 772 C LEU A 51 -2.052 0.058 7.480 1.00 0.00 C ATOM 773 O LEU A 51 -0.855 -0.211 7.571 1.00 0.00 O ATOM 774 CB LEU A 51 -2.993 -2.223 8.170 1.00 0.00 C ATOM 775 CG LEU A 51 -4.153 -2.362 9.157 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.470 -2.625 8.423 1.00 0.00 C ATOM 777 CD2 LEU A 51 -3.857 -3.438 10.204 1.00 0.00 C ATOM 0 H LEU A 51 -1.991 -1.835 5.590 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.064 -0.607 7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.925 -3.142 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.067 -2.136 8.738 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.263 -1.417 9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.278 -2.720 9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.683 -1.795 7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.388 -3.548 7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.698 -3.516 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.704 -4.396 9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.958 -3.169 10.758 1.00 0.00 H new ATOM 789 N GLY A 52 -2.560 1.275 7.610 1.00 0.00 N ATOM 790 CA GLY A 52 -1.705 2.418 7.880 1.00 0.00 C ATOM 791 C GLY A 52 -2.422 3.729 7.551 1.00 0.00 C ATOM 792 O GLY A 52 -2.369 4.682 8.327 1.00 0.00 O ATOM 0 H GLY A 52 -3.553 1.494 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.408 2.415 8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.792 2.341 7.290 1.00 0.00 H new ATOM 796 N LEU A 53 -3.076 3.736 6.398 1.00 0.00 N ATOM 797 CA LEU A 53 -3.802 4.915 5.957 1.00 0.00 C ATOM 798 C LEU A 53 -5.258 4.536 5.678 1.00 0.00 C ATOM 799 O LEU A 53 -5.535 3.733 4.788 1.00 0.00 O ATOM 800 CB LEU A 53 -3.096 5.564 4.766 1.00 0.00 C ATOM 801 CG LEU A 53 -2.689 4.622 3.632 1.00 0.00 C ATOM 802 CD1 LEU A 53 -3.203 5.131 2.284 1.00 0.00 C ATOM 803 CD2 LEU A 53 -1.175 4.399 3.621 1.00 0.00 C ATOM 0 H LEU A 53 -3.118 2.944 5.756 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.814 5.672 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.751 6.332 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.202 6.069 5.131 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.156 3.653 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.899 4.443 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.291 5.196 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.785 6.118 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.912 3.726 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.668 5.354 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.865 3.959 4.569 1.00 0.00 H new ATOM 815 N LYS A 54 -6.151 5.131 6.456 1.00 0.00 N ATOM 816 CA LYS A 54 -7.571 4.866 6.303 1.00 0.00 C ATOM 817 C LYS A 54 -8.342 6.186 6.370 1.00 0.00 C ATOM 818 O LYS A 54 -7.777 7.222 6.719 1.00 0.00 O ATOM 819 CB LYS A 54 -8.036 3.830 7.329 1.00 0.00 C ATOM 820 CG LYS A 54 -8.092 2.432 6.709 1.00 0.00 C ATOM 821 CD LYS A 54 -8.385 1.372 7.773 1.00 0.00 C ATOM 822 CE LYS A 54 -7.231 1.266 8.773 1.00 0.00 C ATOM 823 NZ LYS A 54 -7.571 1.966 10.032 1.00 0.00 N ATOM 0 H LYS A 54 -5.918 5.796 7.194 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.773 4.427 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.357 3.827 8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.021 4.104 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.863 2.402 5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.144 2.209 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.305 1.625 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.546 0.406 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.016 0.218 8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.328 1.698 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.704 2.346 10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.228 2.746 9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.020 1.298 10.690 1.00 0.00 H new ATOM 837 N VAL A 55 -9.620 6.106 6.030 1.00 0.00 N ATOM 838 CA VAL A 55 -10.474 7.282 6.046 1.00 0.00 C ATOM 839 C VAL A 55 -11.827 6.915 6.658 1.00 0.00 C ATOM 840 O VAL A 55 -12.691 6.363 5.978 1.00 0.00 O ATOM 841 CB VAL A 55 -10.593 7.862 4.636 1.00 0.00 C ATOM 842 CG1 VAL A 55 -11.714 8.900 4.563 1.00 0.00 C ATOM 843 CG2 VAL A 55 -9.262 8.459 4.174 1.00 0.00 C ATOM 0 H VAL A 55 -10.085 5.245 5.742 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.037 8.063 6.668 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.847 7.046 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.777 9.297 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.662 8.432 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.503 9.713 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.375 8.864 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.965 9.256 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.497 7.682 4.169 1.00 0.00 H new ATOM 853 N LYS A 56 -11.969 7.236 7.936 1.00 0.00 N ATOM 854 CA LYS A 56 -13.203 6.947 8.647 1.00 0.00 C ATOM 855 C LYS A 56 -13.672 5.534 8.294 1.00 0.00 C ATOM 856 O LYS A 56 -14.793 5.348 7.824 1.00 0.00 O ATOM 857 CB LYS A 56 -14.248 8.030 8.369 1.00 0.00 C ATOM 858 CG LYS A 56 -13.855 9.353 9.029 1.00 0.00 C ATOM 859 CD LYS A 56 -14.935 9.820 10.007 1.00 0.00 C ATOM 860 CE LYS A 56 -14.700 9.239 11.402 1.00 0.00 C ATOM 861 NZ LYS A 56 -14.103 10.257 12.294 1.00 0.00 N ATOM 0 H LYS A 56 -11.250 7.693 8.497 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.036 6.967 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.352 8.173 7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.220 7.707 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.909 9.233 9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.699 10.113 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.938 10.909 10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.916 9.516 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.644 8.889 11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.041 8.374 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.950 9.846 13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.193 10.571 11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.746 11.071 12.371 1.00 0.00 H new ATOM 875 N GLY A 57 -12.789 4.575 8.532 1.00 0.00 N ATOM 876 CA GLY A 57 -13.099 3.185 8.245 1.00 0.00 C ATOM 877 C GLY A 57 -12.344 2.700 7.005 1.00 0.00 C ATOM 878 O GLY A 57 -11.296 2.066 7.121 1.00 0.00 O ATOM 0 H GLY A 57 -11.859 4.733 8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.835 2.565 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.172 3.073 8.089 1.00 0.00 H new ATOM 882 N LYS A 58 -12.905 3.017 5.848 1.00 0.00 N ATOM 883 CA LYS A 58 -12.298 2.622 4.589 1.00 0.00 C ATOM 884 C LYS A 58 -11.244 3.656 4.188 1.00 0.00 C ATOM 885 O LYS A 58 -11.350 4.828 4.549 1.00 0.00 O ATOM 886 CB LYS A 58 -13.373 2.395 3.523 1.00 0.00 C ATOM 887 CG LYS A 58 -14.052 3.712 3.141 1.00 0.00 C ATOM 888 CD LYS A 58 -15.288 3.460 2.276 1.00 0.00 C ATOM 889 CE LYS A 58 -15.012 3.804 0.811 1.00 0.00 C ATOM 890 NZ LYS A 58 -16.086 3.271 -0.058 1.00 0.00 N ATOM 0 H LYS A 58 -13.774 3.543 5.756 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.783 1.668 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.924 1.943 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.118 1.692 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.339 4.252 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.348 4.345 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.586 2.415 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.121 4.059 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.943 4.885 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.051 3.388 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.883 3.513 -1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.133 2.237 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.997 3.688 0.221 1.00 0.00 H new ATOM 904 N PRO A 59 -10.225 3.174 3.428 1.00 0.00 N ATOM 905 CA PRO A 59 -9.153 4.044 2.975 1.00 0.00 C ATOM 906 C PRO A 59 -9.624 4.946 1.832 1.00 0.00 C ATOM 907 O PRO A 59 -10.666 4.695 1.228 1.00 0.00 O ATOM 908 CB PRO A 59 -8.030 3.104 2.566 1.00 0.00 C ATOM 909 CG PRO A 59 -8.678 1.744 2.366 1.00 0.00 C ATOM 910 CD PRO A 59 -10.067 1.793 2.982 1.00 0.00 C ATOM 0 HA PRO A 59 -8.816 4.734 3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.549 3.446 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.258 3.060 3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.740 1.503 1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.080 0.963 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.833 1.521 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.156 1.095 3.815 1.00 0.00 H new ATOM 918 N ALA A 60 -8.835 5.977 1.571 1.00 0.00 N ATOM 919 CA ALA A 60 -9.158 6.918 0.512 1.00 0.00 C ATOM 920 C ALA A 60 -9.520 6.144 -0.758 1.00 0.00 C ATOM 921 O ALA A 60 -9.204 4.962 -0.880 1.00 0.00 O ATOM 922 CB ALA A 60 -7.981 7.871 0.298 1.00 0.00 C ATOM 0 H ALA A 60 -7.972 6.182 2.075 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.021 7.524 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.224 8.577 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.783 8.417 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.096 7.299 0.018 1.00 0.00 H new ATOM 928 N GLU A 61 -10.178 6.843 -1.671 1.00 0.00 N ATOM 929 CA GLU A 61 -10.586 6.237 -2.927 1.00 0.00 C ATOM 930 C GLU A 61 -9.365 5.716 -3.686 1.00 0.00 C ATOM 931 O GLU A 61 -8.228 6.002 -3.313 1.00 0.00 O ATOM 932 CB GLU A 61 -11.381 7.227 -3.781 1.00 0.00 C ATOM 933 CG GLU A 61 -12.712 7.580 -3.114 1.00 0.00 C ATOM 934 CD GLU A 61 -13.738 8.045 -4.150 1.00 0.00 C ATOM 935 OE1 GLU A 61 -13.635 9.220 -4.564 1.00 0.00 O ATOM 936 OE2 GLU A 61 -14.603 7.214 -4.505 1.00 0.00 O ATOM 0 H GLU A 61 -10.439 7.823 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.239 5.393 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.795 8.133 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.566 6.797 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.097 6.711 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.555 8.365 -2.374 1.00 0.00 H new ATOM 943 N ASN A 62 -9.640 4.960 -4.739 1.00 0.00 N ATOM 944 CA ASN A 62 -8.578 4.396 -5.554 1.00 0.00 C ATOM 945 C ASN A 62 -7.950 5.503 -6.402 1.00 0.00 C ATOM 946 O ASN A 62 -6.730 5.562 -6.549 1.00 0.00 O ATOM 947 CB ASN A 62 -9.121 3.325 -6.502 1.00 0.00 C ATOM 948 CG ASN A 62 -10.303 3.858 -7.313 1.00 0.00 C ATOM 949 OD1 ASN A 62 -11.299 4.318 -6.779 1.00 0.00 O ATOM 950 ND2 ASN A 62 -10.138 3.772 -8.630 1.00 0.00 N ATOM 0 H ASN A 62 -10.584 4.725 -5.046 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.842 3.947 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.330 2.998 -7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.433 2.452 -5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.870 4.102 -9.258 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.279 3.376 -9.012 1.00 0.00 H new ATOM 957 N ASP A 63 -8.811 6.355 -6.940 1.00 0.00 N ATOM 958 CA ASP A 63 -8.356 7.457 -7.769 1.00 0.00 C ATOM 959 C ASP A 63 -8.057 8.667 -6.883 1.00 0.00 C ATOM 960 O ASP A 63 -8.606 9.747 -7.095 1.00 0.00 O ATOM 961 CB ASP A 63 -9.429 7.865 -8.781 1.00 0.00 C ATOM 962 CG ASP A 63 -8.894 8.374 -10.121 1.00 0.00 C ATOM 963 OD1 ASP A 63 -7.679 8.665 -10.174 1.00 0.00 O ATOM 964 OD2 ASP A 63 -9.712 8.462 -11.062 1.00 0.00 O ATOM 0 H ASP A 63 -9.822 6.304 -6.817 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.463 7.131 -8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.076 7.008 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.050 8.642 -8.336 1.00 0.00 H new ATOM 969 N VAL A 64 -7.187 8.447 -5.908 1.00 0.00 N ATOM 970 CA VAL A 64 -6.808 9.506 -4.989 1.00 0.00 C ATOM 971 C VAL A 64 -5.297 9.731 -5.071 1.00 0.00 C ATOM 972 O VAL A 64 -4.532 8.780 -5.225 1.00 0.00 O ATOM 973 CB VAL A 64 -7.287 9.168 -3.575 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.379 9.807 -2.522 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.743 9.591 -3.374 1.00 0.00 C ATOM 0 H VAL A 64 -6.734 7.550 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.291 10.443 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.233 8.086 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.741 9.552 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.362 9.435 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.387 10.890 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.058 9.340 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.834 10.667 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.376 9.069 -4.091 1.00 0.00 H new ATOM 985 N LYS A 65 -4.912 10.994 -4.963 1.00 0.00 N ATOM 986 CA LYS A 65 -3.506 11.356 -5.023 1.00 0.00 C ATOM 987 C LYS A 65 -2.880 11.182 -3.638 1.00 0.00 C ATOM 988 O LYS A 65 -3.176 11.944 -2.719 1.00 0.00 O ATOM 989 CB LYS A 65 -3.339 12.762 -5.601 1.00 0.00 C ATOM 990 CG LYS A 65 -2.866 12.704 -7.055 1.00 0.00 C ATOM 991 CD LYS A 65 -1.484 13.344 -7.208 1.00 0.00 C ATOM 992 CE LYS A 65 -1.500 14.432 -8.283 1.00 0.00 C ATOM 993 NZ LYS A 65 -0.365 15.363 -8.094 1.00 0.00 N ATOM 0 H LYS A 65 -5.549 11.780 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.970 10.692 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.287 13.297 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.620 13.322 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.829 11.667 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.582 13.219 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.170 13.773 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.752 12.580 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.443 13.976 -9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.440 14.982 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.204 15.897 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.584 16.025 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.491 14.823 -7.855 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.026 10.174 -3.531 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.356 9.891 -2.274 1.00 0.00 C ATOM 1009 C LEU A 66 -0.795 11.192 -1.695 1.00 0.00 C ATOM 1010 O LEU A 66 -0.670 11.332 -0.480 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.303 8.797 -2.463 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.798 7.489 -3.082 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.177 6.982 -4.146 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.066 6.438 -2.002 1.00 0.00 C ATOM 0 H LEU A 66 -1.783 9.543 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.064 9.497 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.495 9.193 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.137 8.572 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.746 7.685 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.199 6.051 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.274 7.727 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.152 6.806 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.417 5.518 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.146 6.238 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.826 6.809 -1.314 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.471 12.110 -2.594 1.00 0.00 N ATOM 1027 CA GLY A 67 0.074 13.394 -2.188 1.00 0.00 C ATOM 1028 C GLY A 67 -0.987 14.243 -1.484 1.00 0.00 C ATOM 1029 O GLY A 67 -0.709 14.871 -0.464 1.00 0.00 O ATOM 0 H GLY A 67 -0.575 11.990 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.922 13.239 -1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.450 13.926 -3.062 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.182 14.233 -2.057 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.286 14.994 -1.497 1.00 0.00 C ATOM 1035 C ALA A 68 -3.424 14.666 -0.009 1.00 0.00 C ATOM 1036 O ALA A 68 -3.824 15.517 0.783 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.564 14.691 -2.282 1.00 0.00 C ATOM 0 H ALA A 68 -2.410 13.710 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.097 16.064 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.393 15.262 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.424 14.969 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.787 13.626 -2.217 1.00 0.00 H new ATOM 1043 N LEU A 69 -3.084 13.429 0.325 1.00 0.00 N ATOM 1044 CA LEU A 69 -3.165 12.978 1.704 1.00 0.00 C ATOM 1045 C LEU A 69 -1.954 13.502 2.479 1.00 0.00 C ATOM 1046 O LEU A 69 -2.025 13.693 3.692 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.320 11.457 1.761 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.756 10.929 1.749 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.598 11.606 2.832 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.382 11.074 0.361 1.00 0.00 C ATOM 0 H LEU A 69 -2.752 12.726 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.054 13.385 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.788 11.025 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.828 11.095 2.664 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.730 9.864 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.614 11.213 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.161 11.407 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.620 12.682 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.402 10.691 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.394 12.126 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.796 10.508 -0.363 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.871 13.719 1.747 1.00 0.00 N ATOM 1063 CA LYS A 70 0.353 14.217 2.350 1.00 0.00 C ATOM 1064 C LYS A 70 0.698 13.363 3.572 1.00 0.00 C ATOM 1065 O LYS A 70 0.786 13.875 4.687 1.00 0.00 O ATOM 1066 CB LYS A 70 0.228 15.711 2.660 1.00 0.00 C ATOM 1067 CG LYS A 70 0.951 16.551 1.605 1.00 0.00 C ATOM 1068 CD LYS A 70 2.469 16.413 1.740 1.00 0.00 C ATOM 1069 CE LYS A 70 3.193 17.334 0.756 1.00 0.00 C ATOM 1070 NZ LYS A 70 3.380 18.678 1.347 1.00 0.00 N ATOM 0 H LYS A 70 -0.816 13.559 0.741 1.00 0.00 H new ATOM 0 HA LYS A 70 1.185 14.128 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.825 15.992 2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.647 15.918 3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.641 16.236 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.667 17.598 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.771 16.655 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.761 15.379 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.161 16.907 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.619 17.413 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.873 19.291 0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.452 19.089 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.946 18.600 2.216 1.00 0.00 H new ATOM 1084 N LEU A 71 0.885 12.076 3.320 1.00 0.00 N ATOM 1085 CA LEU A 71 1.219 11.146 4.385 1.00 0.00 C ATOM 1086 C LEU A 71 2.695 11.308 4.754 1.00 0.00 C ATOM 1087 O LEU A 71 3.396 12.137 4.175 1.00 0.00 O ATOM 1088 CB LEU A 71 0.838 9.718 3.989 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.606 9.513 3.526 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.656 8.702 2.230 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -1.452 8.880 4.632 1.00 0.00 C ATOM 0 H LEU A 71 0.812 11.655 2.394 1.00 0.00 H new ATOM 0 HA LEU A 71 0.639 11.369 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.504 9.394 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.021 9.064 4.842 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.038 10.490 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.694 8.571 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.110 9.231 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.200 7.726 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.474 8.745 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.031 7.912 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.455 9.531 5.506 1.00 0.00 H new ATOM 1103 N LYS A 72 3.124 10.504 5.716 1.00 0.00 N ATOM 1104 CA LYS A 72 4.504 10.549 6.169 1.00 0.00 C ATOM 1105 C LYS A 72 5.381 9.759 5.196 1.00 0.00 C ATOM 1106 O LYS A 72 4.889 8.892 4.474 1.00 0.00 O ATOM 1107 CB LYS A 72 4.607 10.069 7.619 1.00 0.00 C ATOM 1108 CG LYS A 72 3.848 11.005 8.561 1.00 0.00 C ATOM 1109 CD LYS A 72 4.055 10.599 10.022 1.00 0.00 C ATOM 1110 CE LYS A 72 3.578 11.700 10.970 1.00 0.00 C ATOM 1111 NZ LYS A 72 4.616 12.745 11.115 1.00 0.00 N ATOM 0 H LYS A 72 2.540 9.818 6.194 1.00 0.00 H new ATOM 0 HA LYS A 72 4.872 11.575 6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.204 9.059 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.655 10.019 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.188 12.030 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.785 10.984 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.511 9.677 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.111 10.393 10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.658 12.143 10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.345 11.273 11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.276 13.485 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.484 12.321 11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.818 13.165 10.185 1.00 0.00 H new ATOM 1125 N PRO A 73 6.699 10.094 5.208 1.00 0.00 N ATOM 1126 CA PRO A 73 7.649 9.426 4.335 1.00 0.00 C ATOM 1127 C PRO A 73 7.967 8.019 4.846 1.00 0.00 C ATOM 1128 O PRO A 73 7.775 7.725 6.025 1.00 0.00 O ATOM 1129 CB PRO A 73 8.866 10.337 4.308 1.00 0.00 C ATOM 1130 CG PRO A 73 8.737 11.242 5.522 1.00 0.00 C ATOM 1131 CD PRO A 73 7.317 11.115 6.049 1.00 0.00 C ATOM 0 HA PRO A 73 7.260 9.273 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.788 9.758 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.897 10.920 3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.456 10.956 6.290 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.953 12.276 5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.309 10.821 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.782 12.062 5.979 1.00 0.00 H new ATOM 1139 N ASN A 74 8.449 7.188 3.934 1.00 0.00 N ATOM 1140 CA ASN A 74 8.796 5.820 4.277 1.00 0.00 C ATOM 1141 C ASN A 74 7.725 5.244 5.206 1.00 0.00 C ATOM 1142 O ASN A 74 8.030 4.446 6.091 1.00 0.00 O ATOM 1143 CB ASN A 74 10.139 5.758 5.008 1.00 0.00 C ATOM 1144 CG ASN A 74 10.242 6.866 6.059 1.00 0.00 C ATOM 1145 OD1 ASN A 74 10.540 8.011 5.763 1.00 0.00 O ATOM 1146 ND2 ASN A 74 9.980 6.462 7.298 1.00 0.00 N ATOM 0 H ASN A 74 8.607 7.436 2.957 1.00 0.00 H new ATOM 0 HA ASN A 74 8.863 5.248 3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.252 4.785 5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.953 5.856 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.022 7.126 8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.737 5.488 7.476 1.00 0.00 H new ATOM 1153 N THR A 75 6.493 5.672 4.973 1.00 0.00 N ATOM 1154 CA THR A 75 5.375 5.210 5.778 1.00 0.00 C ATOM 1155 C THR A 75 5.238 3.689 5.676 1.00 0.00 C ATOM 1156 O THR A 75 4.700 3.175 4.696 1.00 0.00 O ATOM 1157 CB THR A 75 4.123 5.965 5.327 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.145 7.164 6.096 1.00 0.00 O ATOM 1159 CG2 THR A 75 2.832 5.267 5.758 1.00 0.00 C ATOM 0 H THR A 75 6.244 6.334 4.238 1.00 0.00 H new ATOM 0 HA THR A 75 5.535 5.421 6.835 1.00 0.00 H new ATOM 0 HB THR A 75 4.133 6.070 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.862 7.917 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.974 5.844 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.796 4.268 5.324 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.805 5.191 6.845 1.00 0.00 H new ATOM 1167 N LYS A 76 5.733 3.012 6.701 1.00 0.00 N ATOM 1168 CA LYS A 76 5.672 1.561 6.739 1.00 0.00 C ATOM 1169 C LYS A 76 4.228 1.122 6.989 1.00 0.00 C ATOM 1170 O LYS A 76 3.740 1.192 8.116 1.00 0.00 O ATOM 1171 CB LYS A 76 6.668 1.010 7.762 1.00 0.00 C ATOM 1172 CG LYS A 76 8.093 1.465 7.440 1.00 0.00 C ATOM 1173 CD LYS A 76 8.899 1.690 8.721 1.00 0.00 C ATOM 1174 CE LYS A 76 8.550 3.035 9.360 1.00 0.00 C ATOM 1175 NZ LYS A 76 8.302 2.872 10.809 1.00 0.00 N ATOM 0 H LYS A 76 6.178 3.442 7.512 1.00 0.00 H new ATOM 0 HA LYS A 76 5.971 1.142 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.392 1.347 8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.623 -0.079 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.587 0.715 6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.062 2.387 6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.698 0.885 9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.965 1.657 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.365 3.742 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.666 3.454 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.066 3.795 11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.510 2.214 10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.155 2.492 11.267 1.00 0.00 H new ATOM 1189 N ILE A 77 3.584 0.679 5.919 1.00 0.00 N ATOM 1190 CA ILE A 77 2.206 0.229 6.008 1.00 0.00 C ATOM 1191 C ILE A 77 2.179 -1.295 6.141 1.00 0.00 C ATOM 1192 O ILE A 77 3.209 -1.953 5.996 1.00 0.00 O ATOM 1193 CB ILE A 77 1.392 0.757 4.825 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.729 -0.008 3.543 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.582 2.266 4.659 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.729 -1.141 3.302 1.00 0.00 C ATOM 0 H ILE A 77 3.992 0.622 4.986 1.00 0.00 H new ATOM 0 HA ILE A 77 1.730 0.636 6.900 1.00 0.00 H new ATOM 0 HB ILE A 77 0.336 0.587 5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.721 0.676 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.737 -0.417 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.993 2.616 3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.253 2.776 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.636 2.483 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.991 -1.669 2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.757 -1.836 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.275 -0.727 3.208 1.00 0.00 H new ATOM 1208 N MET A 78 0.991 -1.813 6.415 1.00 0.00 N ATOM 1209 CA MET A 78 0.817 -3.247 6.569 1.00 0.00 C ATOM 1210 C MET A 78 -0.079 -3.813 5.465 1.00 0.00 C ATOM 1211 O MET A 78 -0.943 -3.111 4.941 1.00 0.00 O ATOM 1212 CB MET A 78 0.192 -3.542 7.935 1.00 0.00 C ATOM 1213 CG MET A 78 0.638 -4.909 8.458 1.00 0.00 C ATOM 1214 SD MET A 78 1.424 -4.727 10.050 1.00 0.00 S ATOM 1215 CE MET A 78 1.350 -6.415 10.627 1.00 0.00 C ATOM 0 H MET A 78 0.139 -1.265 6.534 1.00 0.00 H new ATOM 0 HA MET A 78 1.795 -3.722 6.496 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.478 -2.766 8.645 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.895 -3.516 7.855 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.222 -5.574 8.542 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.329 -5.370 7.752 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.802 -6.481 11.617 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.310 -6.736 10.681 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.893 -7.060 9.936 1.00 0.00 H new ATOM 1225 N MET A 79 0.157 -5.076 5.144 1.00 0.00 N ATOM 1226 CA MET A 79 -0.617 -5.744 4.112 1.00 0.00 C ATOM 1227 C MET A 79 -1.226 -7.045 4.639 1.00 0.00 C ATOM 1228 O MET A 79 -0.517 -7.891 5.181 1.00 0.00 O ATOM 1229 CB MET A 79 0.284 -6.050 2.915 1.00 0.00 C ATOM 1230 CG MET A 79 -0.534 -6.163 1.627 1.00 0.00 C ATOM 1231 SD MET A 79 0.437 -6.951 0.353 1.00 0.00 S ATOM 1232 CE MET A 79 -0.247 -8.599 0.418 1.00 0.00 C ATOM 0 H MET A 79 0.874 -5.655 5.581 1.00 0.00 H new ATOM 0 HA MET A 79 -1.428 -5.083 3.807 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.031 -5.264 2.808 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.824 -6.981 3.090 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.441 -6.738 1.812 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.846 -5.172 1.297 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.494 -9.315 0.063 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.521 -8.839 1.445 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.133 -8.650 -0.215 1.00 0.00 H new ATOM 1242 N MET A 80 -2.534 -7.164 4.461 1.00 0.00 N ATOM 1243 CA MET A 80 -3.246 -8.348 4.911 1.00 0.00 C ATOM 1244 C MET A 80 -4.094 -8.939 3.784 1.00 0.00 C ATOM 1245 O MET A 80 -4.844 -8.221 3.125 1.00 0.00 O ATOM 1246 CB MET A 80 -4.148 -7.982 6.092 1.00 0.00 C ATOM 1247 CG MET A 80 -3.441 -8.245 7.423 1.00 0.00 C ATOM 1248 SD MET A 80 -4.351 -9.456 8.369 1.00 0.00 S ATOM 1249 CE MET A 80 -5.712 -8.448 8.934 1.00 0.00 C ATOM 0 H MET A 80 -3.119 -6.460 4.011 1.00 0.00 H new ATOM 0 HA MET A 80 -2.514 -9.095 5.219 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.430 -6.931 6.027 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.069 -8.563 6.044 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.427 -8.601 7.241 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.357 -7.317 7.989 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.383 -9.052 9.545 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.328 -7.619 9.528 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.257 -8.057 8.075 1.00 0.00 H new ATOM 1259 N GLY A 81 -3.947 -10.243 3.597 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.691 -10.939 2.561 1.00 0.00 C ATOM 1261 C GLY A 81 -3.954 -12.203 2.113 1.00 0.00 C ATOM 1262 O GLY A 81 -2.811 -12.431 2.505 1.00 0.00 O ATOM 0 H GLY A 81 -3.324 -10.835 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.680 -11.203 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.838 -10.278 1.707 1.00 0.00 H new ATOM 1266 N THR A 82 -4.640 -12.991 1.299 1.00 0.00 N ATOM 1267 CA THR A 82 -4.065 -14.227 0.793 1.00 0.00 C ATOM 1268 C THR A 82 -4.099 -14.244 -0.736 1.00 0.00 C ATOM 1269 O THR A 82 -4.787 -13.433 -1.355 1.00 0.00 O ATOM 1270 CB THR A 82 -4.820 -15.395 1.431 1.00 0.00 C ATOM 1271 OG1 THR A 82 -6.191 -15.103 1.176 1.00 0.00 O ATOM 1272 CG2 THR A 82 -4.716 -15.395 2.958 1.00 0.00 C ATOM 0 H THR A 82 -5.588 -12.798 0.977 1.00 0.00 H new ATOM 0 HA THR A 82 -3.013 -14.314 1.064 1.00 0.00 H new ATOM 0 HB THR A 82 -4.431 -16.335 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.752 -15.812 1.555 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.269 -16.244 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.669 -15.472 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.136 -14.469 3.351 1.00 0.00 H new ATOM 1280 N ARG A 83 -3.348 -15.177 -1.303 1.00 0.00 N ATOM 1281 CA ARG A 83 -3.283 -15.310 -2.748 1.00 0.00 C ATOM 1282 C ARG A 83 -4.191 -16.450 -3.217 1.00 0.00 C ATOM 1283 O ARG A 83 -4.460 -17.384 -2.463 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.851 -15.585 -3.212 1.00 0.00 C ATOM 1285 CG ARG A 83 -1.371 -16.955 -2.730 1.00 0.00 C ATOM 1286 CD ARG A 83 -0.753 -16.858 -1.334 1.00 0.00 C ATOM 1287 NE ARG A 83 0.647 -17.337 -1.366 1.00 0.00 N ATOM 1288 CZ ARG A 83 1.375 -17.608 -0.274 1.00 0.00 C ATOM 1289 NH1 ARG A 83 0.839 -17.448 0.944 1.00 0.00 N ATOM 1290 NH2 ARG A 83 2.638 -18.037 -0.399 1.00 0.00 N ATOM 0 H ARG A 83 -2.779 -15.848 -0.787 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.620 -14.369 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.803 -15.541 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.187 -14.809 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.208 -17.653 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.637 -17.354 -3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.785 -15.826 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.333 -17.452 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 83 1.086 -17.469 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.122 -17.120 1.039 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.392 -17.654 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.046 -18.158 -1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.191 -18.243 0.433 1.00 0.00 H new ATOM 1304 N GLU A 84 -4.638 -16.334 -4.459 1.00 0.00 N ATOM 1305 CA GLU A 84 -5.510 -17.342 -5.037 1.00 0.00 C ATOM 1306 C GLU A 84 -6.888 -17.295 -4.374 1.00 0.00 C ATOM 1307 O GLU A 84 -7.880 -16.958 -5.019 1.00 0.00 O ATOM 1308 CB GLU A 84 -4.891 -18.737 -4.916 1.00 0.00 C ATOM 1309 CG GLU A 84 -4.390 -19.233 -6.274 1.00 0.00 C ATOM 1310 CD GLU A 84 -5.495 -19.975 -7.029 1.00 0.00 C ATOM 1311 OE1 GLU A 84 -6.298 -19.279 -7.687 1.00 0.00 O ATOM 1312 OE2 GLU A 84 -5.512 -21.221 -6.930 1.00 0.00 O ATOM 0 H GLU A 84 -4.413 -15.557 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.631 -17.124 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.064 -18.712 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.630 -19.434 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.043 -18.388 -6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.535 -19.894 -6.131 1.00 0.00 H new ATOM 1319 N SER A 85 -6.907 -17.639 -3.094 1.00 0.00 N ATOM 1320 CA SER A 85 -8.147 -17.640 -2.338 1.00 0.00 C ATOM 1321 C SER A 85 -8.990 -18.859 -2.716 1.00 0.00 C ATOM 1322 O SER A 85 -8.885 -19.369 -3.831 1.00 0.00 O ATOM 1323 CB SER A 85 -8.939 -16.352 -2.576 1.00 0.00 C ATOM 1324 OG SER A 85 -9.293 -15.710 -1.354 1.00 0.00 O ATOM 0 H SER A 85 -6.083 -17.919 -2.562 1.00 0.00 H new ATOM 0 HA SER A 85 -7.900 -17.692 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.347 -15.670 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.843 -16.581 -3.140 1.00 0.00 H new ATOM 0 HG SER A 85 -9.796 -14.891 -1.548 1.00 0.00 H new ATOM 1330 N GLY A 86 -9.808 -19.291 -1.768 1.00 0.00 N ATOM 1331 CA GLY A 86 -10.668 -20.441 -1.988 1.00 0.00 C ATOM 1332 C GLY A 86 -11.394 -20.837 -0.701 1.00 0.00 C ATOM 1333 O GLY A 86 -10.910 -20.568 0.398 1.00 0.00 O ATOM 0 H GLY A 86 -9.893 -18.865 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.397 -20.211 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.073 -21.281 -2.347 1.00 0.00 H new ATOM 1337 N PRO A 87 -12.575 -21.486 -0.883 1.00 0.00 N ATOM 1338 CA PRO A 87 -13.373 -21.922 0.250 1.00 0.00 C ATOM 1339 C PRO A 87 -12.757 -23.156 0.912 1.00 0.00 C ATOM 1340 O PRO A 87 -12.585 -23.192 2.130 1.00 0.00 O ATOM 1341 CB PRO A 87 -14.758 -22.182 -0.320 1.00 0.00 C ATOM 1342 CG PRO A 87 -14.569 -22.331 -1.821 1.00 0.00 C ATOM 1343 CD PRO A 87 -13.180 -21.821 -2.169 1.00 0.00 C ATOM 0 HA PRO A 87 -13.418 -21.177 1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -15.195 -23.083 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -15.435 -21.359 -0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -14.678 -23.374 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -15.329 -21.765 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -12.600 -22.580 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -13.230 -20.950 -2.822 1.00 0.00 H new ATOM 1351 N SER A 88 -12.442 -24.139 0.081 1.00 0.00 N ATOM 1352 CA SER A 88 -11.849 -25.372 0.570 1.00 0.00 C ATOM 1353 C SER A 88 -10.338 -25.196 0.736 1.00 0.00 C ATOM 1354 O SER A 88 -9.799 -25.416 1.820 1.00 0.00 O ATOM 1355 CB SER A 88 -12.146 -26.538 -0.374 1.00 0.00 C ATOM 1356 OG SER A 88 -11.791 -26.239 -1.721 1.00 0.00 O ATOM 0 H SER A 88 -12.586 -24.106 -0.928 1.00 0.00 H new ATOM 0 HA SER A 88 -12.291 -25.603 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.599 -27.421 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.207 -26.783 -0.325 1.00 0.00 H new ATOM 0 HG SER A 88 -11.995 -27.009 -2.292 1.00 0.00 H new ATOM 1362 N SER A 89 -9.697 -24.801 -0.354 1.00 0.00 N ATOM 1363 CA SER A 89 -8.259 -24.592 -0.342 1.00 0.00 C ATOM 1364 C SER A 89 -7.784 -24.141 -1.725 1.00 0.00 C ATOM 1365 O SER A 89 -7.157 -23.091 -1.857 1.00 0.00 O ATOM 1366 CB SER A 89 -7.522 -25.864 0.083 1.00 0.00 C ATOM 1367 OG SER A 89 -7.053 -25.786 1.426 1.00 0.00 O ATOM 0 H SER A 89 -10.147 -24.620 -1.251 1.00 0.00 H new ATOM 0 HA SER A 89 -8.033 -23.812 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.189 -26.720 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.679 -26.035 -0.586 1.00 0.00 H new ATOM 0 HG SER A 89 -7.810 -25.633 2.029 1.00 0.00 H new ATOM 1373 N GLY A 90 -8.102 -24.956 -2.720 1.00 0.00 N ATOM 1374 CA GLY A 90 -7.715 -24.653 -4.087 1.00 0.00 C ATOM 1375 C GLY A 90 -7.862 -25.885 -4.983 1.00 0.00 C ATOM 1376 O GLY A 90 -8.429 -26.895 -4.569 1.00 0.00 O ATOM 0 H GLY A 90 -8.623 -25.826 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.333 -23.842 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.682 -24.304 -4.108 1.00 0.00 H new TER 1380 GLY A 90