USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.05! USER MOD Single : A 22 GLN : amide:sc= -12.1! C(o=-12!,f=-8.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.08 K(o=-2.1,f=-0.056) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -7.13! C(o=-7.1!,f=-3.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0012 USER MOD Single : A 40 TYR OH : rot -111:sc= -8.71! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -10.5! C(o=-11!,f=-8.8!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0877 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00687 USER MOD Single : A 53 GLN : amide:sc= -7.31! C(o=-7.3!,f=-5.7!) USER MOD Single : A 58 THR OG1 : rot -31:sc= -0.101 USER MOD Single : A 59 ASN : amide:sc= -4.68! C(o=-4.7!,f=-6.5!) USER MOD Single : A 60 TYR OH : rot 30:sc= -1.87! USER MOD Single : A 61 TYR OH : rot -164:sc= -1.63! USER MOD Single : A 63 LYS NZ :NH3+ -117:sc= -0.144 (180deg=-2.98!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 142:sc= -5.06! (180deg=-8.83!) USER MOD Single : A 96 HIS : no HD1:sc= -22.5! C(o=-22!,f=-23!) USER MOD Single : A 98 LYS NZ :NH3+ -120:sc= -4.75! (180deg=-6.24!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.7) USER MOD Single : A 105AASN : amide:sc= 0.17 K(o=0.17,f=-3.1!) USER MOD Single : A 111 THR OG1 : rot 180:sc= -2.9! USER MOD Single : A 113 TYR OH : rot 179:sc= -1.15 USER MOD Single : A 114 GLN : amide:sc= -9.61! C(o=-9.6!,f=-17!) USER MOD Single : A 116 LYS NZ :NH3+ -132:sc= -3.54! (180deg=-8.05!) USER MOD Single : A 117 ASN : amide:sc= -4.85! C(o=-4.9!,f=-5.8!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.891! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 -19.552 3.018 17.044 1.00 0.00 N ATOM 2 CA MET A 6 -19.771 1.865 16.125 1.00 0.00 C ATOM 3 C MET A 6 -18.582 1.745 15.168 1.00 0.00 C ATOM 4 O MET A 6 -18.747 1.652 13.968 1.00 0.00 O ATOM 5 CB MET A 6 -21.055 2.088 15.320 1.00 0.00 C ATOM 6 CG MET A 6 -21.348 0.849 14.470 1.00 0.00 C ATOM 7 SD MET A 6 -22.648 -0.133 15.261 1.00 0.00 S ATOM 8 CE MET A 6 -24.060 0.715 14.514 1.00 0.00 C ATOM 0 HA MET A 6 -19.864 0.948 16.707 1.00 0.00 H new ATOM 0 HB2 MET A 6 -21.889 2.285 15.993 1.00 0.00 H new ATOM 0 HB3 MET A 6 -20.948 2.964 14.680 1.00 0.00 H new ATOM 0 HG2 MET A 6 -21.661 1.147 13.469 1.00 0.00 H new ATOM 0 HG3 MET A 6 -20.444 0.251 14.356 1.00 0.00 H new ATOM 0 HE1 MET A 6 -24.986 0.263 14.870 1.00 0.00 H new ATOM 0 HE2 MET A 6 -24.040 1.769 14.792 1.00 0.00 H new ATOM 0 HE3 MET A 6 -24.006 0.625 13.429 1.00 0.00 H new ATOM 20 N ILE A 7 -17.384 1.743 15.688 1.00 0.00 N ATOM 21 CA ILE A 7 -16.188 1.628 14.805 1.00 0.00 C ATOM 22 C ILE A 7 -16.318 2.619 13.643 1.00 0.00 C ATOM 23 O ILE A 7 -16.543 2.226 12.516 1.00 0.00 O ATOM 24 CB ILE A 7 -16.097 0.202 14.256 1.00 0.00 C ATOM 25 CG1 ILE A 7 -16.586 -0.784 15.322 1.00 0.00 C ATOM 26 CG2 ILE A 7 -14.644 -0.117 13.896 1.00 0.00 C ATOM 27 CD1 ILE A 7 -16.760 -2.172 14.698 1.00 0.00 C ATOM 0 H ILE A 7 -17.182 1.816 16.685 1.00 0.00 H new ATOM 0 HA ILE A 7 -15.287 1.854 15.376 1.00 0.00 H new ATOM 0 HB ILE A 7 -16.718 0.115 13.364 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.871 -0.831 16.144 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.532 -0.442 15.742 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -14.581 -1.133 13.505 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -14.294 0.585 13.140 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -14.021 -0.031 14.787 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -17.108 -2.872 15.458 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.491 -2.119 13.891 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -15.805 -2.514 14.300 1.00 0.00 H new ATOM 39 N PRO A 8 -16.175 3.883 13.960 1.00 0.00 N ATOM 40 CA PRO A 8 -16.275 4.969 12.970 1.00 0.00 C ATOM 41 C PRO A 8 -14.981 5.096 12.157 1.00 0.00 C ATOM 42 O PRO A 8 -14.134 5.917 12.447 1.00 0.00 O ATOM 43 CB PRO A 8 -16.497 6.216 13.830 1.00 0.00 C ATOM 44 CG PRO A 8 -15.952 5.880 15.240 1.00 0.00 C ATOM 45 CD PRO A 8 -15.904 4.344 15.338 1.00 0.00 C ATOM 0 HA PRO A 8 -17.069 4.803 12.242 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -15.977 7.076 13.408 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.555 6.473 13.874 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.960 6.309 15.384 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.596 6.298 16.014 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.932 3.998 15.690 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.649 3.966 16.038 1.00 0.00 H new ATOM 53 N GLY A 9 -14.827 4.297 11.137 1.00 0.00 N ATOM 54 CA GLY A 9 -13.594 4.382 10.302 1.00 0.00 C ATOM 55 C GLY A 9 -12.381 3.906 11.106 1.00 0.00 C ATOM 56 O GLY A 9 -12.087 4.424 12.165 1.00 0.00 O ATOM 0 H GLY A 9 -15.501 3.589 10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.709 3.771 9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.440 5.409 9.970 1.00 0.00 H new ATOM 60 N GLY A 10 -11.669 2.925 10.614 1.00 0.00 N ATOM 61 CA GLY A 10 -10.475 2.432 11.364 1.00 0.00 C ATOM 62 C GLY A 10 -9.766 1.345 10.555 1.00 0.00 C ATOM 63 O GLY A 10 -10.355 0.704 9.706 1.00 0.00 O ATOM 0 H GLY A 10 -11.860 2.447 9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.790 3.258 11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.781 2.036 12.332 1.00 0.00 H new ATOM 67 N LEU A 11 -8.503 1.130 10.808 1.00 0.00 N ATOM 68 CA LEU A 11 -7.766 0.086 10.054 1.00 0.00 C ATOM 69 C LEU A 11 -7.517 -1.112 10.974 1.00 0.00 C ATOM 70 O LEU A 11 -7.403 -0.970 12.176 1.00 0.00 O ATOM 71 CB LEU A 11 -6.445 0.667 9.547 1.00 0.00 C ATOM 72 CG LEU A 11 -5.513 0.961 10.719 1.00 0.00 C ATOM 73 CD1 LEU A 11 -4.072 0.783 10.253 1.00 0.00 C ATOM 74 CD2 LEU A 11 -5.701 2.406 11.186 1.00 0.00 C ATOM 0 H LEU A 11 -7.954 1.634 11.504 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.350 -0.246 9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.970 -0.035 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.634 1.582 8.985 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.739 0.282 11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.394 0.990 11.081 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.924 -0.241 9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.866 1.473 9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.032 2.608 12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.472 3.086 10.366 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.733 2.555 11.503 1.00 0.00 H new ATOM 86 N SER A 12 -7.461 -2.296 10.427 1.00 0.00 N ATOM 87 CA SER A 12 -7.254 -3.504 11.279 1.00 0.00 C ATOM 88 C SER A 12 -5.793 -3.962 11.229 1.00 0.00 C ATOM 89 O SER A 12 -4.963 -3.376 10.562 1.00 0.00 O ATOM 90 CB SER A 12 -8.153 -4.633 10.778 1.00 0.00 C ATOM 91 OG SER A 12 -9.507 -4.198 10.793 1.00 0.00 O ATOM 0 H SER A 12 -7.549 -2.480 9.428 1.00 0.00 H new ATOM 0 HA SER A 12 -7.505 -3.251 12.309 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.863 -4.923 9.768 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.035 -5.514 11.409 1.00 0.00 H new ATOM 0 HG SER A 12 -10.086 -4.920 10.470 1.00 0.00 H new ATOM 97 N GLU A 13 -5.483 -5.015 11.942 1.00 0.00 N ATOM 98 CA GLU A 13 -4.093 -5.542 11.966 1.00 0.00 C ATOM 99 C GLU A 13 -3.571 -5.703 10.540 1.00 0.00 C ATOM 100 O GLU A 13 -4.239 -5.367 9.581 1.00 0.00 O ATOM 101 CB GLU A 13 -4.079 -6.904 12.665 1.00 0.00 C ATOM 102 CG GLU A 13 -2.716 -7.133 13.320 1.00 0.00 C ATOM 103 CD GLU A 13 -2.907 -7.841 14.662 1.00 0.00 C ATOM 104 OE1 GLU A 13 -3.238 -9.015 14.648 1.00 0.00 O ATOM 105 OE2 GLU A 13 -2.721 -7.197 15.681 1.00 0.00 O ATOM 0 H GLU A 13 -6.147 -5.536 12.515 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.455 -4.842 12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.866 -6.946 13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.285 -7.696 11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.083 -7.734 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.207 -6.180 13.469 1.00 0.00 H new ATOM 112 N ALA A 14 -2.380 -6.216 10.389 1.00 0.00 N ATOM 113 CA ALA A 14 -1.825 -6.396 9.019 1.00 0.00 C ATOM 114 C ALA A 14 -2.166 -7.771 8.487 1.00 0.00 C ATOM 115 O ALA A 14 -1.481 -8.734 8.768 1.00 0.00 O ATOM 116 CB ALA A 14 -0.299 -6.301 9.021 1.00 0.00 C ATOM 0 H ALA A 14 -1.771 -6.516 11.150 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.259 -5.609 8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.075 -6.437 8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.004 -5.322 9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.113 -7.077 9.666 1.00 0.00 H new ATOM 122 N LYS A 15 -3.151 -7.878 7.658 1.00 0.00 N ATOM 123 CA LYS A 15 -3.406 -9.205 7.072 1.00 0.00 C ATOM 124 C LYS A 15 -2.197 -9.418 6.184 1.00 0.00 C ATOM 125 O LYS A 15 -1.666 -8.461 5.671 1.00 0.00 O ATOM 126 CB LYS A 15 -4.691 -9.187 6.238 1.00 0.00 C ATOM 127 CG LYS A 15 -5.777 -9.986 6.959 1.00 0.00 C ATOM 128 CD LYS A 15 -6.796 -9.024 7.572 1.00 0.00 C ATOM 129 CE LYS A 15 -6.104 -8.141 8.612 1.00 0.00 C ATOM 130 NZ LYS A 15 -7.097 -7.719 9.640 1.00 0.00 N ATOM 0 H LYS A 15 -3.776 -7.126 7.367 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.540 -9.990 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.022 -8.160 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.504 -9.614 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.272 -10.660 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.331 -10.605 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.242 -8.405 6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.607 -9.585 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.286 -8.687 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.668 -7.266 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.629 -7.118 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.863 -7.184 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.493 -8.560 10.106 1.00 0.00 H new ATOM 144 N PRO A 16 -1.743 -10.611 6.038 1.00 0.00 N ATOM 145 CA PRO A 16 -0.549 -10.830 5.230 1.00 0.00 C ATOM 146 C PRO A 16 -0.874 -10.509 3.768 1.00 0.00 C ATOM 147 O PRO A 16 -1.875 -10.949 3.238 1.00 0.00 O ATOM 148 CB PRO A 16 -0.209 -12.304 5.474 1.00 0.00 C ATOM 149 CG PRO A 16 -1.515 -12.965 5.981 1.00 0.00 C ATOM 150 CD PRO A 16 -2.357 -11.828 6.599 1.00 0.00 C ATOM 0 HA PRO A 16 0.301 -10.197 5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.140 -12.781 4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.590 -12.404 6.209 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.051 -13.447 5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.300 -13.737 6.720 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.409 -11.911 6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.309 -11.838 7.688 1.00 0.00 H new ATOM 158 N ALA A 17 -0.061 -9.703 3.133 1.00 0.00 N ATOM 159 CA ALA A 17 -0.344 -9.298 1.726 1.00 0.00 C ATOM 160 C ALA A 17 -0.940 -10.452 0.925 1.00 0.00 C ATOM 161 O ALA A 17 -0.798 -11.612 1.255 1.00 0.00 O ATOM 162 CB ALA A 17 0.938 -8.829 1.037 1.00 0.00 C ATOM 0 H ALA A 17 0.790 -9.307 3.532 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.066 -8.482 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.714 -8.537 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.349 -7.975 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.666 -9.640 1.033 1.00 0.00 H new ATOM 168 N THR A 18 -1.596 -10.108 -0.141 1.00 0.00 N ATOM 169 CA THR A 18 -2.217 -11.117 -1.030 1.00 0.00 C ATOM 170 C THR A 18 -1.962 -10.636 -2.458 1.00 0.00 C ATOM 171 O THR A 18 -1.166 -9.741 -2.642 1.00 0.00 O ATOM 172 CB THR A 18 -3.724 -11.191 -0.737 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.423 -10.306 -1.587 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.999 -10.780 0.694 1.00 0.00 C ATOM 0 H THR A 18 -1.731 -9.142 -0.440 1.00 0.00 H new ATOM 0 HA THR A 18 -1.802 -12.114 -0.879 1.00 0.00 H new ATOM 0 HB THR A 18 -4.053 -12.217 -0.902 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.383 -10.359 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.070 -10.837 0.889 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.470 -11.449 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.655 -9.758 0.851 1.00 0.00 H new ATOM 182 N PRO A 19 -2.625 -11.191 -3.437 1.00 0.00 N ATOM 183 CA PRO A 19 -2.425 -10.731 -4.814 1.00 0.00 C ATOM 184 C PRO A 19 -3.108 -9.368 -4.981 1.00 0.00 C ATOM 185 O PRO A 19 -2.804 -8.609 -5.883 1.00 0.00 O ATOM 186 CB PRO A 19 -3.070 -11.828 -5.666 1.00 0.00 C ATOM 187 CG PRO A 19 -4.063 -12.571 -4.743 1.00 0.00 C ATOM 188 CD PRO A 19 -3.609 -12.294 -3.298 1.00 0.00 C ATOM 0 HA PRO A 19 -1.383 -10.584 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.585 -11.399 -6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.315 -12.512 -6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.081 -12.217 -4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.061 -13.641 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.447 -12.004 -2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.158 -13.177 -2.845 1.00 0.00 H new ATOM 196 N GLU A 20 -3.999 -9.034 -4.082 1.00 0.00 N ATOM 197 CA GLU A 20 -4.677 -7.712 -4.168 1.00 0.00 C ATOM 198 C GLU A 20 -3.812 -6.667 -3.478 1.00 0.00 C ATOM 199 O GLU A 20 -3.656 -5.563 -3.952 1.00 0.00 O ATOM 200 CB GLU A 20 -6.047 -7.790 -3.493 1.00 0.00 C ATOM 201 CG GLU A 20 -6.775 -9.050 -3.966 1.00 0.00 C ATOM 202 CD GLU A 20 -8.266 -8.928 -3.652 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.877 -7.987 -4.132 1.00 0.00 O ATOM 204 OE2 GLU A 20 -8.772 -9.779 -2.940 1.00 0.00 O ATOM 0 H GLU A 20 -4.283 -9.619 -3.296 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.817 -7.435 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.930 -7.809 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.635 -6.905 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.629 -9.186 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.360 -9.929 -3.473 1.00 0.00 H new ATOM 211 N ILE A 21 -3.223 -7.022 -2.375 1.00 0.00 N ATOM 212 CA ILE A 21 -2.332 -6.069 -1.663 1.00 0.00 C ATOM 213 C ILE A 21 -1.140 -5.804 -2.567 1.00 0.00 C ATOM 214 O ILE A 21 -0.811 -4.685 -2.905 1.00 0.00 O ATOM 215 CB ILE A 21 -1.864 -6.729 -0.365 1.00 0.00 C ATOM 216 CG1 ILE A 21 -3.056 -7.418 0.301 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.292 -5.674 0.581 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.265 -6.488 0.262 1.00 0.00 C ATOM 0 H ILE A 21 -3.320 -7.936 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.843 -5.135 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.088 -7.461 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.285 -8.351 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.813 -7.674 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.961 -6.153 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.445 -5.179 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.061 -4.936 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.116 -6.977 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.033 -5.566 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.512 -6.255 -0.774 1.00 0.00 H new ATOM 230 N GLN A 22 -0.520 -6.863 -2.972 1.00 0.00 N ATOM 231 CA GLN A 22 0.653 -6.781 -3.889 1.00 0.00 C ATOM 232 C GLN A 22 0.240 -6.057 -5.177 1.00 0.00 C ATOM 233 O GLN A 22 1.059 -5.466 -5.845 1.00 0.00 O ATOM 234 CB GLN A 22 1.105 -8.211 -4.218 1.00 0.00 C ATOM 235 CG GLN A 22 2.604 -8.254 -4.516 1.00 0.00 C ATOM 236 CD GLN A 22 2.954 -7.193 -5.556 1.00 0.00 C ATOM 237 OE1 GLN A 22 2.905 -7.441 -6.743 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.309 -6.013 -5.147 1.00 0.00 N ATOM 0 H GLN A 22 -0.779 -7.812 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 22 1.468 -6.230 -3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.878 -8.870 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.548 -8.584 -5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.171 -8.081 -3.601 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.883 -9.242 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.348 -5.810 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.548 -5.289 -5.824 1.00 0.00 H new ATOM 247 N GLU A 23 -1.020 -6.094 -5.537 1.00 0.00 N ATOM 248 CA GLU A 23 -1.454 -5.389 -6.782 1.00 0.00 C ATOM 249 C GLU A 23 -1.543 -3.879 -6.513 1.00 0.00 C ATOM 250 O GLU A 23 -1.135 -3.068 -7.318 1.00 0.00 O ATOM 251 CB GLU A 23 -2.822 -5.917 -7.215 1.00 0.00 C ATOM 252 CG GLU A 23 -3.187 -5.337 -8.582 1.00 0.00 C ATOM 253 CD GLU A 23 -4.266 -6.203 -9.231 1.00 0.00 C ATOM 254 OE1 GLU A 23 -4.690 -7.158 -8.602 1.00 0.00 O ATOM 255 OE2 GLU A 23 -4.652 -5.898 -10.348 1.00 0.00 O ATOM 0 H GLU A 23 -1.760 -6.577 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.729 -5.571 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.804 -7.006 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.578 -5.643 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.545 -4.314 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.304 -5.298 -9.220 1.00 0.00 H new ATOM 262 N ILE A 24 -2.055 -3.507 -5.375 1.00 0.00 N ATOM 263 CA ILE A 24 -2.161 -2.061 -5.011 1.00 0.00 C ATOM 264 C ILE A 24 -0.777 -1.450 -5.085 1.00 0.00 C ATOM 265 O ILE A 24 -0.538 -0.462 -5.750 1.00 0.00 O ATOM 266 CB ILE A 24 -2.683 -1.974 -3.574 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.175 -2.306 -3.561 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.476 -0.570 -3.013 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.492 -3.160 -2.334 1.00 0.00 C ATOM 0 H ILE A 24 -2.411 -4.151 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.833 -1.531 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.134 -2.684 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.763 -1.389 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.448 -2.841 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.853 -0.527 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.413 -0.329 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.014 0.151 -3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.555 -3.399 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.913 -4.083 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.233 -2.608 -1.430 1.00 0.00 H new ATOM 281 N VAL A 25 0.129 -2.054 -4.400 1.00 0.00 N ATOM 282 CA VAL A 25 1.520 -1.576 -4.376 1.00 0.00 C ATOM 283 C VAL A 25 2.134 -1.729 -5.752 1.00 0.00 C ATOM 284 O VAL A 25 2.845 -0.874 -6.233 1.00 0.00 O ATOM 285 CB VAL A 25 2.249 -2.462 -3.414 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.187 -3.862 -3.950 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.693 -2.053 -3.310 1.00 0.00 C ATOM 0 H VAL A 25 -0.042 -2.887 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 25 1.575 -0.527 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 25 1.791 -2.388 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.710 -4.535 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.146 -4.172 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.660 -3.897 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.207 -2.708 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.165 -2.131 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.755 -1.023 -2.959 1.00 0.00 H new ATOM 297 N ASP A 26 1.844 -2.816 -6.385 1.00 0.00 N ATOM 298 CA ASP A 26 2.381 -3.048 -7.748 1.00 0.00 C ATOM 299 C ASP A 26 1.674 -2.084 -8.685 1.00 0.00 C ATOM 300 O ASP A 26 2.043 -1.914 -9.829 1.00 0.00 O ATOM 301 CB ASP A 26 2.101 -4.490 -8.178 1.00 0.00 C ATOM 302 CG ASP A 26 2.379 -4.639 -9.674 1.00 0.00 C ATOM 303 OD1 ASP A 26 1.563 -4.178 -10.457 1.00 0.00 O ATOM 304 OD2 ASP A 26 3.402 -5.211 -10.013 1.00 0.00 O ATOM 0 H ASP A 26 1.254 -3.563 -6.018 1.00 0.00 H new ATOM 0 HA ASP A 26 3.459 -2.887 -7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.728 -5.178 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.065 -4.750 -7.962 1.00 0.00 H new ATOM 309 N LYS A 27 0.650 -1.448 -8.189 1.00 0.00 N ATOM 310 CA LYS A 27 -0.105 -0.480 -9.031 1.00 0.00 C ATOM 311 C LYS A 27 0.353 0.944 -8.710 1.00 0.00 C ATOM 312 O LYS A 27 0.159 1.858 -9.486 1.00 0.00 O ATOM 313 CB LYS A 27 -1.601 -0.609 -8.737 1.00 0.00 C ATOM 314 CG LYS A 27 -2.394 0.134 -9.813 1.00 0.00 C ATOM 315 CD LYS A 27 -3.408 -0.820 -10.447 1.00 0.00 C ATOM 316 CE LYS A 27 -3.006 -1.100 -11.897 1.00 0.00 C ATOM 317 NZ LYS A 27 -4.230 -1.267 -12.730 1.00 0.00 N ATOM 0 H LYS A 27 0.303 -1.557 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 27 0.081 -0.693 -10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.890 -1.660 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.827 -0.197 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.908 0.990 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.718 0.523 -10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.449 -1.752 -9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.406 -0.383 -10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.400 -0.280 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.393 -2.000 -11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.956 -1.457 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.791 -2.064 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.798 -0.397 -12.691 1.00 0.00 H new ATOM 331 N VAL A 28 0.953 1.144 -7.568 1.00 0.00 N ATOM 332 CA VAL A 28 1.411 2.515 -7.197 1.00 0.00 C ATOM 333 C VAL A 28 2.944 2.587 -7.214 1.00 0.00 C ATOM 334 O VAL A 28 3.525 3.639 -7.039 1.00 0.00 O ATOM 335 CB VAL A 28 0.894 2.849 -5.801 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.628 3.031 -5.844 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.235 1.701 -4.856 1.00 0.00 C ATOM 0 H VAL A 28 1.146 0.419 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 28 1.022 3.234 -7.918 1.00 0.00 H new ATOM 0 HB VAL A 28 1.359 3.771 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.994 3.269 -4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.878 3.844 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.095 2.109 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.869 1.932 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.764 0.785 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.316 1.565 -4.824 1.00 0.00 H new ATOM 347 N LYS A 29 3.606 1.480 -7.435 1.00 0.00 N ATOM 348 CA LYS A 29 5.096 1.487 -7.476 1.00 0.00 C ATOM 349 C LYS A 29 5.597 2.681 -8.305 1.00 0.00 C ATOM 350 O LYS A 29 6.477 3.393 -7.861 1.00 0.00 O ATOM 351 CB LYS A 29 5.589 0.165 -8.081 1.00 0.00 C ATOM 352 CG LYS A 29 7.081 0.248 -8.418 1.00 0.00 C ATOM 353 CD LYS A 29 7.321 -0.381 -9.792 1.00 0.00 C ATOM 354 CE LYS A 29 8.187 -1.632 -9.638 1.00 0.00 C ATOM 355 NZ LYS A 29 9.162 -1.700 -10.763 1.00 0.00 N ATOM 0 H LYS A 29 3.175 0.569 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 29 5.490 1.587 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.414 -0.650 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.020 -0.063 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.409 1.287 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.667 -0.271 -7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.369 -0.640 -10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.812 0.335 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.716 -1.607 -8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.560 -2.523 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.752 -2.550 -10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.648 -1.743 -11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.768 -0.855 -10.749 1.00 0.00 H new ATOM 369 N PRO A 30 5.034 2.888 -9.478 1.00 0.00 N ATOM 370 CA PRO A 30 5.442 4.013 -10.336 1.00 0.00 C ATOM 371 C PRO A 30 4.924 5.320 -9.740 1.00 0.00 C ATOM 372 O PRO A 30 5.559 6.353 -9.837 1.00 0.00 O ATOM 373 CB PRO A 30 4.797 3.703 -11.688 1.00 0.00 C ATOM 374 CG PRO A 30 3.632 2.732 -11.400 1.00 0.00 C ATOM 375 CD PRO A 30 3.955 2.051 -10.055 1.00 0.00 C ATOM 0 HA PRO A 30 6.522 4.128 -10.429 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.435 4.614 -12.164 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.519 3.253 -12.369 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.684 3.268 -11.346 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.536 1.994 -12.196 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.082 2.021 -9.403 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.282 1.021 -10.198 1.00 0.00 H new ATOM 383 N GLN A 31 3.793 5.279 -9.094 1.00 0.00 N ATOM 384 CA GLN A 31 3.262 6.512 -8.460 1.00 0.00 C ATOM 385 C GLN A 31 3.995 6.724 -7.135 1.00 0.00 C ATOM 386 O GLN A 31 3.763 7.683 -6.433 1.00 0.00 O ATOM 387 CB GLN A 31 1.764 6.356 -8.198 1.00 0.00 C ATOM 388 CG GLN A 31 0.995 6.584 -9.501 1.00 0.00 C ATOM 389 CD GLN A 31 -0.492 6.307 -9.277 1.00 0.00 C ATOM 390 OE1 GLN A 31 -1.337 7.042 -9.749 1.00 0.00 O ATOM 391 NE2 GLN A 31 -0.851 5.268 -8.571 1.00 0.00 N ATOM 0 H GLN A 31 3.216 4.446 -8.979 1.00 0.00 H new ATOM 0 HA GLN A 31 3.416 7.367 -9.118 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.553 5.360 -7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.439 7.070 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.136 7.609 -9.843 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.383 5.931 -10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.142 4.651 -8.175 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.840 5.074 -8.416 1.00 0.00 H new ATOM 400 N LEU A 32 4.884 5.826 -6.796 1.00 0.00 N ATOM 401 CA LEU A 32 5.643 5.956 -5.524 1.00 0.00 C ATOM 402 C LEU A 32 6.990 6.624 -5.803 1.00 0.00 C ATOM 403 O LEU A 32 7.475 7.424 -5.027 1.00 0.00 O ATOM 404 CB LEU A 32 5.875 4.569 -4.940 1.00 0.00 C ATOM 405 CG LEU A 32 4.734 4.243 -3.982 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.580 2.734 -3.886 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.045 4.815 -2.596 1.00 0.00 C ATOM 0 H LEU A 32 5.116 5.003 -7.353 1.00 0.00 H new ATOM 0 HA LEU A 32 5.078 6.563 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.923 3.827 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.830 4.535 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 32 3.809 4.684 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.766 2.494 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.357 2.328 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.507 2.297 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.228 4.580 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.969 4.376 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.160 5.897 -2.666 1.00 0.00 H new ATOM 419 N GLU A 33 7.601 6.290 -6.906 1.00 0.00 N ATOM 420 CA GLU A 33 8.925 6.888 -7.244 1.00 0.00 C ATOM 421 C GLU A 33 8.782 8.392 -7.504 1.00 0.00 C ATOM 422 O GLU A 33 9.594 9.182 -7.068 1.00 0.00 O ATOM 423 CB GLU A 33 9.477 6.217 -8.505 1.00 0.00 C ATOM 424 CG GLU A 33 9.734 4.735 -8.236 1.00 0.00 C ATOM 425 CD GLU A 33 9.065 3.892 -9.324 1.00 0.00 C ATOM 426 OE1 GLU A 33 8.601 4.469 -10.293 1.00 0.00 O ATOM 427 OE2 GLU A 33 9.031 2.682 -9.171 1.00 0.00 O ATOM 0 H GLU A 33 7.239 5.626 -7.591 1.00 0.00 H new ATOM 0 HA GLU A 33 9.604 6.733 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.769 6.329 -9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.402 6.705 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.806 4.539 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.343 4.460 -7.257 1.00 0.00 H new ATOM 434 N GLU A 34 7.776 8.791 -8.232 1.00 0.00 N ATOM 435 CA GLU A 34 7.610 10.243 -8.541 1.00 0.00 C ATOM 436 C GLU A 34 6.878 10.966 -7.404 1.00 0.00 C ATOM 437 O GLU A 34 6.816 12.180 -7.378 1.00 0.00 O ATOM 438 CB GLU A 34 6.802 10.397 -9.830 1.00 0.00 C ATOM 439 CG GLU A 34 7.219 11.684 -10.543 1.00 0.00 C ATOM 440 CD GLU A 34 6.144 12.078 -11.557 1.00 0.00 C ATOM 441 OE1 GLU A 34 5.820 11.257 -12.399 1.00 0.00 O ATOM 442 OE2 GLU A 34 5.664 13.196 -11.475 1.00 0.00 O ATOM 0 H GLU A 34 7.062 8.178 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 34 8.599 10.685 -8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.968 9.538 -10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.736 10.424 -9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.360 12.485 -9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.174 11.539 -11.048 1.00 0.00 H new ATOM 449 N LYS A 35 6.313 10.250 -6.474 1.00 0.00 N ATOM 450 CA LYS A 35 5.583 10.935 -5.366 1.00 0.00 C ATOM 451 C LYS A 35 6.520 11.184 -4.182 1.00 0.00 C ATOM 452 O LYS A 35 6.192 11.919 -3.272 1.00 0.00 O ATOM 453 CB LYS A 35 4.410 10.067 -4.910 1.00 0.00 C ATOM 454 CG LYS A 35 3.140 10.492 -5.658 1.00 0.00 C ATOM 455 CD LYS A 35 2.146 11.107 -4.670 1.00 0.00 C ATOM 456 CE LYS A 35 0.986 10.140 -4.440 1.00 0.00 C ATOM 457 NZ LYS A 35 -0.296 10.806 -4.808 1.00 0.00 N ATOM 0 H LYS A 35 6.323 9.231 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 35 5.213 11.893 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.624 9.016 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.264 10.170 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.388 11.213 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.691 9.631 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.644 11.324 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.771 12.054 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.125 9.239 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.960 9.828 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.086 10.148 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.429 11.653 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.269 11.082 -5.810 1.00 0.00 H new ATOM 471 N THR A 36 7.681 10.587 -4.175 1.00 0.00 N ATOM 472 CA THR A 36 8.615 10.810 -3.031 1.00 0.00 C ATOM 473 C THR A 36 9.951 11.354 -3.542 1.00 0.00 C ATOM 474 O THR A 36 10.611 12.103 -2.854 1.00 0.00 O ATOM 475 CB THR A 36 8.858 9.491 -2.299 1.00 0.00 C ATOM 476 OG1 THR A 36 9.790 9.698 -1.247 1.00 0.00 O ATOM 477 CG2 THR A 36 9.417 8.464 -3.280 1.00 0.00 C ATOM 0 H THR A 36 8.022 9.960 -4.904 1.00 0.00 H new ATOM 0 HA THR A 36 8.168 11.533 -2.348 1.00 0.00 H new ATOM 0 HB THR A 36 7.919 9.125 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.945 8.853 -0.776 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.591 7.522 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.702 8.306 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.357 8.830 -3.693 1.00 0.00 H new ATOM 485 N ASN A 37 10.336 10.968 -4.740 1.00 0.00 N ATOM 486 CA ASN A 37 11.631 11.428 -5.356 1.00 0.00 C ATOM 487 C ASN A 37 12.682 10.319 -5.239 1.00 0.00 C ATOM 488 O ASN A 37 13.844 10.516 -5.533 1.00 0.00 O ATOM 489 CB ASN A 37 12.140 12.728 -4.701 1.00 0.00 C ATOM 490 CG ASN A 37 13.068 12.425 -3.509 1.00 0.00 C ATOM 491 OD1 ASN A 37 13.968 13.190 -3.225 1.00 0.00 O ATOM 492 ND2 ASN A 37 12.889 11.343 -2.798 1.00 0.00 N ATOM 0 H ASN A 37 9.794 10.338 -5.332 1.00 0.00 H new ATOM 0 HA ASN A 37 11.450 11.643 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.675 13.325 -5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.292 13.324 -4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.504 11.144 -2.009 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.135 10.698 -3.032 1.00 0.00 H new ATOM 499 N GLU A 38 12.275 9.155 -4.822 1.00 0.00 N ATOM 500 CA GLU A 38 13.229 8.025 -4.694 1.00 0.00 C ATOM 501 C GLU A 38 12.796 6.920 -5.663 1.00 0.00 C ATOM 502 O GLU A 38 11.639 6.813 -6.008 1.00 0.00 O ATOM 503 CB GLU A 38 13.200 7.508 -3.253 1.00 0.00 C ATOM 504 CG GLU A 38 13.803 6.108 -3.200 1.00 0.00 C ATOM 505 CD GLU A 38 14.542 5.918 -1.875 1.00 0.00 C ATOM 506 OE1 GLU A 38 15.555 6.570 -1.685 1.00 0.00 O ATOM 507 OE2 GLU A 38 14.080 5.124 -1.071 1.00 0.00 O ATOM 0 H GLU A 38 11.313 8.938 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 38 14.243 8.345 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.760 8.181 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.175 7.488 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.018 5.359 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.489 5.965 -4.035 1.00 0.00 H new ATOM 514 N THR A 39 13.711 6.109 -6.120 1.00 0.00 N ATOM 515 CA THR A 39 13.330 5.037 -7.081 1.00 0.00 C ATOM 516 C THR A 39 13.242 3.680 -6.372 1.00 0.00 C ATOM 517 O THR A 39 14.204 3.197 -5.807 1.00 0.00 O ATOM 518 CB THR A 39 14.380 4.961 -8.186 1.00 0.00 C ATOM 519 OG1 THR A 39 15.279 6.054 -8.059 1.00 0.00 O ATOM 520 CG2 THR A 39 13.693 5.018 -9.551 1.00 0.00 C ATOM 0 H THR A 39 14.700 6.142 -5.871 1.00 0.00 H new ATOM 0 HA THR A 39 12.354 5.274 -7.504 1.00 0.00 H new ATOM 0 HB THR A 39 14.932 4.025 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.955 6.006 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.444 4.964 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.005 4.178 -9.647 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.140 5.953 -9.641 1.00 0.00 H new ATOM 528 N TYR A 40 12.095 3.054 -6.421 1.00 0.00 N ATOM 529 CA TYR A 40 11.934 1.719 -5.776 1.00 0.00 C ATOM 530 C TYR A 40 11.765 0.664 -6.869 1.00 0.00 C ATOM 531 O TYR A 40 11.839 0.956 -8.046 1.00 0.00 O ATOM 532 CB TYR A 40 10.688 1.711 -4.885 1.00 0.00 C ATOM 533 CG TYR A 40 10.608 2.994 -4.096 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.335 3.135 -2.907 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.799 4.042 -4.549 1.00 0.00 C ATOM 536 CE1 TYR A 40 11.252 4.325 -2.176 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.716 5.229 -3.817 1.00 0.00 C ATOM 538 CZ TYR A 40 10.445 5.372 -2.630 1.00 0.00 C ATOM 539 OH TYR A 40 10.363 6.540 -1.903 1.00 0.00 O ATOM 0 H TYR A 40 11.259 3.413 -6.883 1.00 0.00 H new ATOM 0 HA TYR A 40 12.812 1.504 -5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.794 1.595 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.722 0.859 -4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.959 2.326 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.238 3.933 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.812 4.435 -1.259 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.090 6.036 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 40 9.468 6.620 -1.513 1.00 0.00 H new ATOM 549 N GLY A 43 11.530 -0.559 -6.492 1.00 0.00 N ATOM 550 CA GLY A 43 11.346 -1.626 -7.515 1.00 0.00 C ATOM 551 C GLY A 43 10.213 -2.557 -7.081 1.00 0.00 C ATOM 552 O GLY A 43 9.350 -2.178 -6.317 1.00 0.00 O ATOM 0 H GLY A 43 11.457 -0.867 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.115 -1.181 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.270 -2.192 -7.636 1.00 0.00 H new ATOM 556 N LYS A 44 10.211 -3.771 -7.567 1.00 0.00 N ATOM 557 CA LYS A 44 9.144 -4.740 -7.189 1.00 0.00 C ATOM 558 C LYS A 44 8.793 -4.571 -5.717 1.00 0.00 C ATOM 559 O LYS A 44 9.660 -4.507 -4.868 1.00 0.00 O ATOM 560 CB LYS A 44 9.660 -6.157 -7.411 1.00 0.00 C ATOM 561 CG LYS A 44 9.343 -6.593 -8.840 1.00 0.00 C ATOM 562 CD LYS A 44 8.306 -7.713 -8.808 1.00 0.00 C ATOM 563 CE LYS A 44 7.838 -8.015 -10.232 1.00 0.00 C ATOM 564 NZ LYS A 44 6.362 -7.838 -10.314 1.00 0.00 N ATOM 0 H LYS A 44 10.910 -4.134 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 44 8.259 -4.559 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.735 -6.196 -7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.197 -6.840 -6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.964 -5.748 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.250 -6.936 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.735 -8.608 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.458 -7.420 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.335 -7.351 -10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.109 -9.034 -10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.041 -8.043 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.897 -8.489 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.116 -6.858 -10.068 1.00 0.00 H new ATOM 578 N LEU A 45 7.536 -4.494 -5.399 1.00 0.00 N ATOM 579 CA LEU A 45 7.161 -4.326 -3.982 1.00 0.00 C ATOM 580 C LEU A 45 6.449 -5.585 -3.503 1.00 0.00 C ATOM 581 O LEU A 45 5.254 -5.719 -3.625 1.00 0.00 O ATOM 582 CB LEU A 45 6.258 -3.109 -3.870 1.00 0.00 C ATOM 583 CG LEU A 45 6.993 -1.926 -4.497 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.090 -0.686 -4.503 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.265 -1.665 -3.680 1.00 0.00 C ATOM 0 H LEU A 45 6.759 -4.540 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 45 8.042 -4.174 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.312 -3.286 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.022 -2.903 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 45 7.258 -2.150 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.624 0.151 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.190 -0.894 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.813 -0.433 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.807 -0.823 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.995 -1.434 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.898 -2.552 -3.699 1.00 0.00 H new ATOM 597 N GLU A 46 7.183 -6.517 -2.966 1.00 0.00 N ATOM 598 CA GLU A 46 6.545 -7.781 -2.493 1.00 0.00 C ATOM 599 C GLU A 46 5.725 -7.495 -1.239 1.00 0.00 C ATOM 600 O GLU A 46 6.217 -7.571 -0.132 1.00 0.00 O ATOM 601 CB GLU A 46 7.626 -8.821 -2.182 1.00 0.00 C ATOM 602 CG GLU A 46 7.842 -9.710 -3.412 1.00 0.00 C ATOM 603 CD GLU A 46 8.979 -10.697 -3.140 1.00 0.00 C ATOM 604 OE1 GLU A 46 10.118 -10.346 -3.399 1.00 0.00 O ATOM 605 OE2 GLU A 46 8.691 -11.789 -2.680 1.00 0.00 O ATOM 0 H GLU A 46 8.193 -6.462 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 46 5.890 -8.172 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.557 -8.324 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.327 -9.429 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.926 -10.251 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.081 -9.095 -4.280 1.00 0.00 H new ATOM 612 N ALA A 47 4.474 -7.162 -1.400 1.00 0.00 N ATOM 613 CA ALA A 47 3.635 -6.863 -0.210 1.00 0.00 C ATOM 614 C ALA A 47 3.814 -7.948 0.844 1.00 0.00 C ATOM 615 O ALA A 47 3.633 -9.124 0.600 1.00 0.00 O ATOM 616 CB ALA A 47 2.170 -6.773 -0.616 1.00 0.00 C ATOM 0 H ALA A 47 4.000 -7.085 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 47 3.948 -5.907 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.562 -6.554 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.045 -5.979 -1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.853 -7.722 -1.049 1.00 0.00 H new ATOM 622 N VAL A 48 4.170 -7.532 2.017 1.00 0.00 N ATOM 623 CA VAL A 48 4.381 -8.474 3.144 1.00 0.00 C ATOM 624 C VAL A 48 3.119 -8.497 3.992 1.00 0.00 C ATOM 625 O VAL A 48 2.632 -9.541 4.382 1.00 0.00 O ATOM 626 CB VAL A 48 5.569 -7.957 3.971 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.362 -8.229 5.468 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.847 -8.642 3.498 1.00 0.00 C ATOM 0 H VAL A 48 4.329 -6.552 2.251 1.00 0.00 H new ATOM 0 HA VAL A 48 4.591 -9.483 2.789 1.00 0.00 H new ATOM 0 HB VAL A 48 5.647 -6.879 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.218 -7.853 6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.457 -7.726 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.264 -9.302 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.692 -8.278 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.752 -9.720 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.011 -8.418 2.444 1.00 0.00 H new ATOM 638 N GLN A 49 2.595 -7.349 4.279 1.00 0.00 N ATOM 639 CA GLN A 49 1.361 -7.281 5.103 1.00 0.00 C ATOM 640 C GLN A 49 0.589 -6.036 4.707 1.00 0.00 C ATOM 641 O GLN A 49 1.064 -5.220 3.947 1.00 0.00 O ATOM 642 CB GLN A 49 1.726 -7.227 6.587 1.00 0.00 C ATOM 643 CG GLN A 49 2.461 -5.925 6.896 1.00 0.00 C ATOM 644 CD GLN A 49 2.687 -5.820 8.405 1.00 0.00 C ATOM 645 OE1 GLN A 49 3.055 -6.784 9.044 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.478 -4.681 9.003 1.00 0.00 N ATOM 0 H GLN A 49 2.967 -6.448 3.979 1.00 0.00 H new ATOM 0 HA GLN A 49 0.748 -8.166 4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.824 -7.298 7.195 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.354 -8.079 6.847 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.416 -5.899 6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.880 -5.073 6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.169 -3.872 8.465 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.624 -4.599 10.009 1.00 0.00 H new ATOM 655 N TYR A 50 -0.604 -5.882 5.188 1.00 0.00 N ATOM 656 CA TYR A 50 -1.378 -4.689 4.803 1.00 0.00 C ATOM 657 C TYR A 50 -2.576 -4.500 5.723 1.00 0.00 C ATOM 658 O TYR A 50 -3.259 -5.437 6.082 1.00 0.00 O ATOM 659 CB TYR A 50 -1.870 -4.868 3.394 1.00 0.00 C ATOM 660 CG TYR A 50 -2.915 -5.957 3.356 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.551 -7.286 3.592 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.253 -5.634 3.095 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.522 -8.294 3.568 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.225 -6.642 3.069 1.00 0.00 C ATOM 665 CZ TYR A 50 -4.859 -7.972 3.306 1.00 0.00 C ATOM 666 OH TYR A 50 -5.816 -8.965 3.286 1.00 0.00 O ATOM 0 H TYR A 50 -1.071 -6.526 5.826 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.736 -3.812 4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.291 -3.933 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.038 -5.125 2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.520 -7.535 3.793 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.535 -4.607 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.240 -9.320 3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.256 -6.393 2.866 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.692 -8.571 3.091 1.00 0.00 H new ATOM 676 N LYS A 51 -2.843 -3.284 6.079 1.00 0.00 N ATOM 677 CA LYS A 51 -4.015 -2.997 6.956 1.00 0.00 C ATOM 678 C LYS A 51 -5.095 -2.280 6.131 1.00 0.00 C ATOM 679 O LYS A 51 -4.853 -1.250 5.533 1.00 0.00 O ATOM 680 CB LYS A 51 -3.582 -2.115 8.133 1.00 0.00 C ATOM 681 CG LYS A 51 -2.423 -2.787 8.873 1.00 0.00 C ATOM 682 CD LYS A 51 -2.191 -2.074 10.208 1.00 0.00 C ATOM 683 CE LYS A 51 -1.185 -2.865 11.047 1.00 0.00 C ATOM 684 NZ LYS A 51 -0.543 -1.957 12.038 1.00 0.00 N ATOM 0 H LYS A 51 -2.300 -2.466 5.802 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.417 -3.931 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.277 -1.133 7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.420 -1.959 8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.648 -3.840 9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.519 -2.749 8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.819 -1.065 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.133 -1.977 10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.688 -3.684 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.428 -3.311 10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.141 -2.494 12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.050 -1.190 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.271 -1.552 12.661 1.00 0.00 H new ATOM 698 N THR A 52 -6.283 -2.827 6.086 1.00 0.00 N ATOM 699 CA THR A 52 -7.386 -2.197 5.295 1.00 0.00 C ATOM 700 C THR A 52 -7.894 -0.943 6.006 1.00 0.00 C ATOM 701 O THR A 52 -7.370 -0.531 7.021 1.00 0.00 O ATOM 702 CB THR A 52 -8.537 -3.198 5.157 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.878 -3.700 6.441 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.108 -4.357 4.254 1.00 0.00 C ATOM 0 H THR A 52 -6.539 -3.689 6.567 1.00 0.00 H new ATOM 0 HA THR A 52 -7.008 -1.920 4.311 1.00 0.00 H new ATOM 0 HB THR A 52 -9.400 -2.700 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.616 -4.340 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.929 -5.067 4.158 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.844 -3.972 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.244 -4.858 4.691 1.00 0.00 H new ATOM 712 N GLN A 53 -8.915 -0.334 5.468 1.00 0.00 N ATOM 713 CA GLN A 53 -9.474 0.901 6.087 1.00 0.00 C ATOM 714 C GLN A 53 -10.882 1.135 5.548 1.00 0.00 C ATOM 715 O GLN A 53 -11.200 0.745 4.445 1.00 0.00 O ATOM 716 CB GLN A 53 -8.611 2.091 5.688 1.00 0.00 C ATOM 717 CG GLN A 53 -8.062 2.794 6.928 1.00 0.00 C ATOM 718 CD GLN A 53 -9.219 3.396 7.725 1.00 0.00 C ATOM 719 OE1 GLN A 53 -10.189 3.856 7.156 1.00 0.00 O ATOM 720 NE2 GLN A 53 -9.162 3.415 9.028 1.00 0.00 N ATOM 0 H GLN A 53 -9.390 -0.642 4.619 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.494 0.790 7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.787 1.755 5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.199 2.792 5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.510 2.086 7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.361 3.576 6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.349 3.030 9.509 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.930 3.815 9.566 1.00 0.00 H new ATOM 729 N VAL A 54 -11.729 1.777 6.302 1.00 0.00 N ATOM 730 CA VAL A 54 -13.100 2.034 5.800 1.00 0.00 C ATOM 731 C VAL A 54 -13.424 3.531 5.895 1.00 0.00 C ATOM 732 O VAL A 54 -13.069 4.201 6.845 1.00 0.00 O ATOM 733 CB VAL A 54 -14.092 1.199 6.604 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.662 2.005 7.760 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.229 0.758 5.679 1.00 0.00 C ATOM 0 H VAL A 54 -11.530 2.132 7.238 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.172 1.746 4.751 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.577 0.330 7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.367 1.390 8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.852 2.319 8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.176 2.884 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.945 0.160 6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.730 1.637 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.823 0.163 4.861 1.00 0.00 H new ATOM 745 N VAL A 55 -14.101 4.048 4.909 1.00 0.00 N ATOM 746 CA VAL A 55 -14.471 5.493 4.906 1.00 0.00 C ATOM 747 C VAL A 55 -15.453 5.718 3.753 1.00 0.00 C ATOM 748 O VAL A 55 -16.607 5.348 3.827 1.00 0.00 O ATOM 749 CB VAL A 55 -13.213 6.345 4.697 1.00 0.00 C ATOM 750 CG1 VAL A 55 -12.540 6.620 6.043 1.00 0.00 C ATOM 751 CG2 VAL A 55 -12.234 5.592 3.791 1.00 0.00 C ATOM 0 H VAL A 55 -14.419 3.525 4.093 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.927 5.778 5.854 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.495 7.291 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.647 7.226 5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.232 7.155 6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.260 5.675 6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.339 6.196 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.960 4.646 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.706 5.397 2.828 1.00 0.00 H new ATOM 761 N ALA A 56 -14.991 6.274 2.667 1.00 0.00 N ATOM 762 CA ALA A 56 -15.876 6.467 1.492 1.00 0.00 C ATOM 763 C ALA A 56 -15.548 5.343 0.517 1.00 0.00 C ATOM 764 O ALA A 56 -15.617 5.483 -0.688 1.00 0.00 O ATOM 765 CB ALA A 56 -15.580 7.818 0.852 1.00 0.00 C ATOM 0 H ALA A 56 -14.033 6.603 2.546 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.929 6.447 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.229 7.962 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.760 8.611 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.539 7.849 0.532 1.00 0.00 H new ATOM 771 N GLY A 57 -15.150 4.232 1.066 1.00 0.00 N ATOM 772 CA GLY A 57 -14.754 3.057 0.252 1.00 0.00 C ATOM 773 C GLY A 57 -13.843 2.210 1.121 1.00 0.00 C ATOM 774 O GLY A 57 -14.271 1.613 2.088 1.00 0.00 O ATOM 0 H GLY A 57 -15.082 4.088 2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.631 2.488 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.240 3.371 -0.656 1.00 0.00 H new ATOM 778 N THR A 58 -12.590 2.185 0.810 1.00 0.00 N ATOM 779 CA THR A 58 -11.641 1.401 1.652 1.00 0.00 C ATOM 780 C THR A 58 -10.196 1.745 1.296 1.00 0.00 C ATOM 781 O THR A 58 -9.696 1.371 0.253 1.00 0.00 O ATOM 782 CB THR A 58 -11.862 -0.098 1.447 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.237 -0.406 1.629 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.020 -0.875 2.466 1.00 0.00 C ATOM 0 H THR A 58 -12.174 2.668 0.014 1.00 0.00 H new ATOM 0 HA THR A 58 -11.826 1.658 2.695 1.00 0.00 H new ATOM 0 HB THR A 58 -11.563 -0.378 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.627 0.211 2.283 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.174 -1.945 2.325 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.966 -0.638 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.321 -0.596 3.476 1.00 0.00 H new ATOM 792 N ASN A 59 -9.510 2.432 2.169 1.00 0.00 N ATOM 793 CA ASN A 59 -8.106 2.769 1.906 1.00 0.00 C ATOM 794 C ASN A 59 -7.289 1.488 1.987 1.00 0.00 C ATOM 795 O ASN A 59 -7.827 0.412 2.140 1.00 0.00 O ATOM 796 CB ASN A 59 -7.644 3.739 2.985 1.00 0.00 C ATOM 797 CG ASN A 59 -8.242 5.127 2.740 1.00 0.00 C ATOM 798 OD1 ASN A 59 -8.027 5.722 1.702 1.00 0.00 O ATOM 799 ND2 ASN A 59 -8.989 5.672 3.663 1.00 0.00 N ATOM 0 H ASN A 59 -9.877 2.772 3.058 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.984 3.223 0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.946 3.373 3.966 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.556 3.799 2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.392 6.597 3.513 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.169 5.173 4.534 1.00 0.00 H new ATOM 806 N TYR A 60 -6.004 1.604 1.921 1.00 0.00 N ATOM 807 CA TYR A 60 -5.130 0.401 2.021 1.00 0.00 C ATOM 808 C TYR A 60 -3.866 0.790 2.762 1.00 0.00 C ATOM 809 O TYR A 60 -3.348 1.870 2.601 1.00 0.00 O ATOM 810 CB TYR A 60 -4.684 -0.107 0.644 1.00 0.00 C ATOM 811 CG TYR A 60 -5.842 -0.624 -0.171 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.932 -1.242 0.443 1.00 0.00 C ATOM 813 CD2 TYR A 60 -5.808 -0.482 -1.560 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.994 -1.716 -0.338 1.00 0.00 C ATOM 815 CE2 TYR A 60 -6.864 -0.952 -2.342 1.00 0.00 C ATOM 816 CZ TYR A 60 -7.961 -1.570 -1.732 1.00 0.00 C ATOM 817 OH TYR A 60 -9.008 -2.036 -2.501 1.00 0.00 O ATOM 0 H TYR A 60 -5.508 2.487 1.801 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.702 -0.377 2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.192 0.700 0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.948 -0.901 0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.957 -1.355 1.517 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.961 -0.006 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.839 -2.194 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.834 -0.839 -3.416 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.839 -1.990 -1.984 1.00 0.00 H new ATOM 827 N TYR A 61 -3.345 -0.111 3.516 1.00 0.00 N ATOM 828 CA TYR A 61 -2.074 0.131 4.244 1.00 0.00 C ATOM 829 C TYR A 61 -1.225 -1.062 3.880 1.00 0.00 C ATOM 830 O TYR A 61 -1.718 -2.168 3.867 1.00 0.00 O ATOM 831 CB TYR A 61 -2.306 0.140 5.765 1.00 0.00 C ATOM 832 CG TYR A 61 -3.202 1.286 6.184 1.00 0.00 C ATOM 833 CD1 TYR A 61 -4.458 1.460 5.593 1.00 0.00 C ATOM 834 CD2 TYR A 61 -2.775 2.169 7.186 1.00 0.00 C ATOM 835 CE1 TYR A 61 -5.279 2.517 5.995 1.00 0.00 C ATOM 836 CE2 TYR A 61 -3.599 3.224 7.591 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.849 3.402 6.992 1.00 0.00 C ATOM 838 OH TYR A 61 -5.661 4.443 7.392 1.00 0.00 O ATOM 0 H TYR A 61 -3.751 -1.034 3.668 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.625 1.090 3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.755 -0.805 6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.348 0.219 6.280 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.793 0.777 4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.807 2.034 7.646 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.247 2.652 5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.270 3.900 8.366 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.130 5.098 7.891 1.00 0.00 H new ATOM 848 N ILE A 62 0.003 -0.908 3.518 1.00 0.00 N ATOM 849 CA ILE A 62 0.727 -2.130 3.113 1.00 0.00 C ATOM 850 C ILE A 62 2.217 -2.025 3.384 1.00 0.00 C ATOM 851 O ILE A 62 2.908 -1.188 2.838 1.00 0.00 O ATOM 852 CB ILE A 62 0.517 -2.373 1.614 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.981 -2.447 1.266 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.176 -3.698 1.247 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.182 -2.144 -0.223 1.00 0.00 C ATOM 0 H ILE A 62 0.522 -0.031 3.483 1.00 0.00 H new ATOM 0 HA ILE A 62 0.330 -2.957 3.701 1.00 0.00 H new ATOM 0 HB ILE A 62 0.957 -1.546 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.370 -3.438 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.540 -1.733 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.038 -3.891 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.241 -3.649 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.720 -4.503 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.243 -2.197 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.809 -1.144 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.636 -2.875 -0.820 1.00 0.00 H new ATOM 867 N LYS A 63 2.729 -2.923 4.172 1.00 0.00 N ATOM 868 CA LYS A 63 4.184 -2.933 4.420 1.00 0.00 C ATOM 869 C LYS A 63 4.758 -3.806 3.295 1.00 0.00 C ATOM 870 O LYS A 63 4.696 -5.017 3.365 1.00 0.00 O ATOM 871 CB LYS A 63 4.456 -3.531 5.816 1.00 0.00 C ATOM 872 CG LYS A 63 5.588 -4.568 5.772 1.00 0.00 C ATOM 873 CD LYS A 63 6.325 -4.570 7.114 1.00 0.00 C ATOM 874 CE LYS A 63 5.344 -4.910 8.237 1.00 0.00 C ATOM 875 NZ LYS A 63 6.011 -4.719 9.557 1.00 0.00 N ATOM 0 H LYS A 63 2.199 -3.649 4.653 1.00 0.00 H new ATOM 0 HA LYS A 63 4.639 -1.942 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.719 -2.733 6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.548 -3.998 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.182 -5.558 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.281 -4.333 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.137 -5.297 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.776 -3.594 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.462 -4.274 8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.003 -5.940 8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.062 -5.630 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.972 -4.350 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.464 -4.043 10.128 1.00 0.00 H new ATOM 889 N VAL A 64 5.239 -3.211 2.229 1.00 0.00 N ATOM 890 CA VAL A 64 5.717 -4.012 1.082 1.00 0.00 C ATOM 891 C VAL A 64 7.244 -4.022 1.001 1.00 0.00 C ATOM 892 O VAL A 64 7.884 -3.015 1.183 1.00 0.00 O ATOM 893 CB VAL A 64 5.184 -3.347 -0.177 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.688 -3.621 -0.321 1.00 0.00 C ATOM 895 CG2 VAL A 64 5.421 -1.837 -0.105 1.00 0.00 C ATOM 0 H VAL A 64 5.317 -2.201 2.114 1.00 0.00 H new ATOM 0 HA VAL A 64 5.374 -5.041 1.193 1.00 0.00 H new ATOM 0 HB VAL A 64 5.708 -3.756 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.316 -3.141 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.520 -4.696 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.160 -3.222 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.037 -1.365 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.905 -1.429 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.490 -1.640 -0.018 1.00 0.00 H new ATOM 905 N ARG A 65 7.834 -5.136 0.675 1.00 0.00 N ATOM 906 CA ARG A 65 9.315 -5.159 0.536 1.00 0.00 C ATOM 907 C ARG A 65 9.675 -4.331 -0.687 1.00 0.00 C ATOM 908 O ARG A 65 9.073 -4.472 -1.729 1.00 0.00 O ATOM 909 CB ARG A 65 9.810 -6.593 0.333 1.00 0.00 C ATOM 910 CG ARG A 65 8.920 -7.568 1.106 1.00 0.00 C ATOM 911 CD ARG A 65 9.797 -8.490 1.957 1.00 0.00 C ATOM 912 NE ARG A 65 10.332 -9.595 1.108 1.00 0.00 N ATOM 913 CZ ARG A 65 9.835 -10.798 1.210 1.00 0.00 C ATOM 914 NH1 ARG A 65 8.631 -10.970 1.683 1.00 0.00 N ATOM 915 NH2 ARG A 65 10.543 -11.833 0.838 1.00 0.00 N ATOM 0 H ARG A 65 7.361 -6.023 0.500 1.00 0.00 H new ATOM 0 HA ARG A 65 9.780 -4.757 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.801 -6.843 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.842 -6.682 0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.226 -7.018 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.319 -8.157 0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.619 -7.924 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.216 -8.901 2.783 1.00 0.00 H new ATOM 0 HE ARG A 65 11.087 -9.410 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.077 -10.164 1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.244 -11.910 1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.484 -11.701 0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.154 -12.772 0.918 1.00 0.00 H new ATOM 929 N ALA A 66 10.651 -3.471 -0.571 1.00 0.00 N ATOM 930 CA ALA A 66 11.050 -2.626 -1.729 1.00 0.00 C ATOM 931 C ALA A 66 12.031 -3.399 -2.597 1.00 0.00 C ATOM 932 O ALA A 66 13.024 -2.876 -3.062 1.00 0.00 O ATOM 933 CB ALA A 66 11.721 -1.358 -1.219 1.00 0.00 C ATOM 0 H ALA A 66 11.191 -3.318 0.281 1.00 0.00 H new ATOM 0 HA ALA A 66 10.168 -2.364 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.015 -0.736 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.024 -0.806 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.605 -1.622 -0.639 1.00 0.00 H new ATOM 939 N GLY A 67 11.752 -4.641 -2.812 1.00 0.00 N ATOM 940 CA GLY A 67 12.652 -5.484 -3.650 1.00 0.00 C ATOM 941 C GLY A 67 13.933 -5.811 -2.873 1.00 0.00 C ATOM 942 O GLY A 67 14.072 -6.881 -2.314 1.00 0.00 O ATOM 0 H GLY A 67 10.932 -5.122 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.143 -6.405 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.900 -4.960 -4.573 1.00 0.00 H new ATOM 946 N ASP A 68 14.872 -4.903 -2.850 1.00 0.00 N ATOM 947 CA ASP A 68 16.151 -5.151 -2.134 1.00 0.00 C ATOM 948 C ASP A 68 15.882 -5.534 -0.666 1.00 0.00 C ATOM 949 O ASP A 68 15.327 -6.576 -0.384 1.00 0.00 O ATOM 950 CB ASP A 68 17.011 -3.887 -2.202 1.00 0.00 C ATOM 951 CG ASP A 68 17.178 -3.460 -3.661 1.00 0.00 C ATOM 952 OD1 ASP A 68 16.335 -2.719 -4.141 1.00 0.00 O ATOM 953 OD2 ASP A 68 18.144 -3.882 -4.275 1.00 0.00 O ATOM 0 H ASP A 68 14.804 -3.991 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 68 16.677 -5.979 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.544 -3.086 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.986 -4.074 -1.753 1.00 0.00 H new ATOM 958 N ASN A 92 16.274 -4.706 0.275 1.00 0.00 N ATOM 959 CA ASN A 92 16.037 -5.042 1.709 1.00 0.00 C ATOM 960 C ASN A 92 15.166 -3.959 2.344 1.00 0.00 C ATOM 961 O ASN A 92 14.393 -4.218 3.246 1.00 0.00 O ATOM 962 CB ASN A 92 17.373 -5.110 2.451 1.00 0.00 C ATOM 963 CG ASN A 92 17.406 -6.361 3.329 1.00 0.00 C ATOM 964 OD1 ASN A 92 17.150 -6.293 4.516 1.00 0.00 O ATOM 965 ND2 ASN A 92 17.715 -7.510 2.793 1.00 0.00 N ATOM 0 H ASN A 92 16.745 -3.817 0.109 1.00 0.00 H new ATOM 0 HA ASN A 92 15.535 -6.007 1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 92 18.197 -5.132 1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.506 -4.219 3.064 1.00 0.00 H new ATOM 0 HD21 ASN A 92 17.742 -8.351 3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 92 17.930 -7.567 1.797 1.00 0.00 H new ATOM 972 N LYS A 93 15.283 -2.746 1.876 1.00 0.00 N ATOM 973 CA LYS A 93 14.460 -1.645 2.447 1.00 0.00 C ATOM 974 C LYS A 93 13.007 -1.876 2.067 1.00 0.00 C ATOM 975 O LYS A 93 12.717 -2.341 0.987 1.00 0.00 O ATOM 976 CB LYS A 93 14.900 -0.312 1.848 1.00 0.00 C ATOM 977 CG LYS A 93 16.147 0.202 2.572 1.00 0.00 C ATOM 978 CD LYS A 93 16.342 1.688 2.256 1.00 0.00 C ATOM 979 CE LYS A 93 17.196 1.836 0.995 1.00 0.00 C ATOM 980 NZ LYS A 93 17.057 3.221 0.460 1.00 0.00 N ATOM 0 H LYS A 93 15.913 -2.471 1.123 1.00 0.00 H new ATOM 0 HA LYS A 93 14.581 -1.626 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.111 -0.433 0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.094 0.417 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.042 0.058 3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.023 -0.366 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.375 2.169 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.825 2.189 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.241 1.626 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.883 1.111 0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.637 3.322 -0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.060 3.405 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.376 3.904 1.177 1.00 0.00 H new ATOM 994 N TYR A 94 12.087 -1.546 2.926 1.00 0.00 N ATOM 995 CA TYR A 94 10.660 -1.746 2.574 1.00 0.00 C ATOM 996 C TYR A 94 10.004 -0.384 2.363 1.00 0.00 C ATOM 997 O TYR A 94 10.618 0.647 2.546 1.00 0.00 O ATOM 998 CB TYR A 94 9.931 -2.474 3.702 1.00 0.00 C ATOM 999 CG TYR A 94 10.499 -3.855 3.921 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.421 -4.398 3.022 1.00 0.00 C ATOM 1001 CD2 TYR A 94 10.090 -4.592 5.038 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.937 -5.680 3.242 1.00 0.00 C ATOM 1003 CE2 TYR A 94 10.603 -5.873 5.259 1.00 0.00 C ATOM 1004 CZ TYR A 94 11.528 -6.419 4.360 1.00 0.00 C ATOM 1005 OH TYR A 94 12.037 -7.682 4.578 1.00 0.00 O ATOM 0 H TYR A 94 12.261 -1.149 3.850 1.00 0.00 H new ATOM 0 HA TYR A 94 10.600 -2.344 1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.011 -1.895 4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 94 8.870 -2.549 3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.735 -3.829 2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 94 9.377 -4.170 5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.651 -6.100 2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.287 -6.441 6.121 1.00 0.00 H new ATOM 0 HH TYR A 94 11.649 -8.054 5.398 1.00 0.00 H new ATOM 1015 N MET A 95 8.759 -0.373 1.987 1.00 0.00 N ATOM 1016 CA MET A 95 8.056 0.914 1.773 1.00 0.00 C ATOM 1017 C MET A 95 6.599 0.763 2.206 1.00 0.00 C ATOM 1018 O MET A 95 5.864 -0.048 1.673 1.00 0.00 O ATOM 1019 CB MET A 95 8.111 1.285 0.292 1.00 0.00 C ATOM 1020 CG MET A 95 7.703 2.750 0.118 1.00 0.00 C ATOM 1021 SD MET A 95 8.496 3.425 -1.362 1.00 0.00 S ATOM 1022 CE MET A 95 7.654 2.371 -2.567 1.00 0.00 C ATOM 0 H MET A 95 8.196 -1.207 1.818 1.00 0.00 H new ATOM 0 HA MET A 95 8.536 1.698 2.359 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.117 1.128 -0.096 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.444 0.640 -0.281 1.00 0.00 H new ATOM 0 HG2 MET A 95 6.619 2.829 0.031 1.00 0.00 H new ATOM 0 HG3 MET A 95 7.995 3.327 0.995 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.427 2.951 -3.462 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.299 1.533 -2.832 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.728 1.993 -2.135 1.00 0.00 H new ATOM 1032 N HIS A 96 6.167 1.540 3.160 1.00 0.00 N ATOM 1033 CA HIS A 96 4.752 1.444 3.598 1.00 0.00 C ATOM 1034 C HIS A 96 3.894 1.977 2.465 1.00 0.00 C ATOM 1035 O HIS A 96 4.331 2.804 1.690 1.00 0.00 O ATOM 1036 CB HIS A 96 4.524 2.297 4.840 1.00 0.00 C ATOM 1037 CG HIS A 96 4.382 1.413 6.041 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.566 1.875 7.336 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.072 0.090 6.153 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.369 0.836 8.164 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.067 -0.279 7.490 1.00 0.00 N ATOM 0 H HIS A 96 6.731 2.233 3.651 1.00 0.00 H new ATOM 0 HA HIS A 96 4.500 0.411 3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.359 2.984 4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.628 2.905 4.716 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.862 -0.571 5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.445 0.894 9.240 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.874 -1.203 7.877 1.00 0.00 H new ATOM 1049 N LEU A 97 2.694 1.508 2.335 1.00 0.00 N ATOM 1050 CA LEU A 97 1.852 1.988 1.216 1.00 0.00 C ATOM 1051 C LEU A 97 0.475 2.407 1.707 1.00 0.00 C ATOM 1052 O LEU A 97 -0.117 1.785 2.567 1.00 0.00 O ATOM 1053 CB LEU A 97 1.695 0.860 0.213 1.00 0.00 C ATOM 1054 CG LEU A 97 1.273 1.426 -1.134 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.442 2.188 -1.763 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.869 0.266 -2.036 1.00 0.00 C ATOM 0 H LEU A 97 2.261 0.818 2.949 1.00 0.00 H new ATOM 0 HA LEU A 97 2.333 2.853 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.635 0.317 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.951 0.146 0.567 1.00 0.00 H new ATOM 0 HG LEU A 97 0.435 2.112 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.136 2.592 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.740 3.005 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.284 1.510 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.562 0.651 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.716 -0.408 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.039 -0.276 -1.582 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.040 3.452 1.138 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.385 3.937 1.522 1.00 0.00 C ATOM 1070 C LYS A 98 -2.194 4.161 0.239 1.00 0.00 C ATOM 1071 O LYS A 98 -2.078 5.192 -0.383 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.236 5.270 2.257 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.605 5.765 2.718 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.727 5.558 4.225 1.00 0.00 C ATOM 1075 CE LYS A 98 -2.561 4.075 4.543 1.00 0.00 C ATOM 1076 NZ LYS A 98 -1.117 3.751 4.722 1.00 0.00 N ATOM 0 H LYS A 98 0.422 3.999 0.411 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.886 3.215 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.575 5.150 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.775 6.008 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.726 6.820 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.396 5.224 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.968 6.141 4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.697 5.911 4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.113 3.825 5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.980 3.473 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.832 3.037 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.549 4.612 4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.961 3.378 5.680 1.00 0.00 H new ATOM 1090 N VAL A 99 -2.994 3.213 -0.182 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.777 3.412 -1.438 1.00 0.00 C ATOM 1092 C VAL A 99 -5.245 3.684 -1.080 1.00 0.00 C ATOM 1093 O VAL A 99 -5.697 3.345 -0.008 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.701 2.130 -2.296 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -4.978 1.979 -3.119 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.527 2.197 -3.268 1.00 0.00 C ATOM 0 H VAL A 99 -3.137 2.318 0.286 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.367 4.255 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.574 1.285 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.917 1.073 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.836 1.913 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.093 2.843 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.493 1.283 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.650 3.055 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.597 2.301 -2.709 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.013 4.246 -1.981 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.451 4.458 -1.665 1.00 0.00 C ATOM 1108 C PHE A 100 -8.288 3.834 -2.778 1.00 0.00 C ATOM 1109 O PHE A 100 -8.058 4.076 -3.951 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.772 5.954 -1.549 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.176 6.150 -1.021 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.743 5.218 -0.147 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.910 7.277 -1.414 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.044 5.408 0.336 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.211 7.469 -0.931 1.00 0.00 C ATOM 1116 CZ PHE A 100 -11.778 6.534 -0.056 1.00 0.00 C ATOM 0 H PHE A 100 -5.710 4.560 -2.903 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.682 3.990 -0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.055 6.436 -0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.673 6.431 -2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.177 4.350 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.473 7.998 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.481 4.686 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.777 8.338 -1.233 1.00 0.00 H new ATOM 0 HZ PHE A 100 -12.781 6.681 0.316 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.253 3.028 -2.423 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.108 2.396 -3.462 1.00 0.00 C ATOM 1128 C LYS A 101 -11.394 3.190 -3.568 1.00 0.00 C ATOM 1129 O LYS A 101 -12.175 3.272 -2.642 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.446 0.965 -3.085 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.241 0.055 -4.297 1.00 0.00 C ATOM 1132 CD LYS A 101 -11.577 -0.575 -4.699 1.00 0.00 C ATOM 1133 CE LYS A 101 -11.589 -2.051 -4.298 1.00 0.00 C ATOM 1134 NZ LYS A 101 -12.571 -2.787 -5.143 1.00 0.00 N ATOM 0 H LYS A 101 -9.484 2.782 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.571 2.389 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.814 0.637 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.478 0.903 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.833 0.628 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.517 -0.724 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.399 -0.049 -4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.727 -0.479 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.594 -2.480 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.852 -2.151 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.580 -3.791 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.519 -2.383 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.300 -2.702 -6.144 1.00 0.00 H new ATOM 1148 N SER A 102 -11.606 3.782 -4.688 1.00 0.00 N ATOM 1149 CA SER A 102 -12.837 4.597 -4.876 1.00 0.00 C ATOM 1150 C SER A 102 -13.867 3.817 -5.695 1.00 0.00 C ATOM 1151 O SER A 102 -14.449 4.347 -6.620 1.00 0.00 O ATOM 1152 CB SER A 102 -12.481 5.893 -5.607 1.00 0.00 C ATOM 1153 OG SER A 102 -11.800 6.765 -4.714 1.00 0.00 O ATOM 0 H SER A 102 -10.983 3.744 -5.494 1.00 0.00 H new ATOM 0 HA SER A 102 -13.263 4.829 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.853 5.676 -6.471 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.385 6.372 -5.983 1.00 0.00 H new ATOM 0 HG SER A 102 -11.569 7.596 -5.180 1.00 0.00 H new ATOM 1159 N LEU A 102A -14.109 2.573 -5.347 1.00 0.00 N ATOM 1160 CA LEU A 102A -15.105 1.748 -6.078 1.00 0.00 C ATOM 1161 C LEU A 102A -15.166 2.169 -7.549 1.00 0.00 C ATOM 1162 O LEU A 102A -16.176 2.661 -8.013 1.00 0.00 O ATOM 1163 CB LEU A 102A -16.461 1.944 -5.418 1.00 0.00 C ATOM 1164 CG LEU A 102A -16.282 2.107 -3.906 1.00 0.00 C ATOM 1165 CD1 LEU A 102A -16.361 3.589 -3.541 1.00 0.00 C ATOM 1166 CD2 LEU A 102A -17.389 1.346 -3.175 1.00 0.00 C ATOM 0 H LEU A 102A -13.647 2.094 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 102A -14.819 0.697 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 102A -16.954 2.824 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 102A -17.105 1.090 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 102A -15.311 1.709 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 102A -16.234 3.706 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 102A -15.573 4.134 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 102A -17.332 3.985 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 102A -17.261 1.462 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 102A -18.360 1.744 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 102A -17.336 0.289 -3.434 1.00 0.00 H new ATOM 1178 N PRO A 103 -14.064 1.988 -8.229 1.00 0.00 N ATOM 1179 CA PRO A 103 -13.932 2.360 -9.648 1.00 0.00 C ATOM 1180 C PRO A 103 -14.609 1.337 -10.562 1.00 0.00 C ATOM 1181 O PRO A 103 -15.356 0.483 -10.127 1.00 0.00 O ATOM 1182 CB PRO A 103 -12.418 2.370 -9.876 1.00 0.00 C ATOM 1183 CG PRO A 103 -11.805 1.467 -8.779 1.00 0.00 C ATOM 1184 CD PRO A 103 -12.844 1.387 -7.645 1.00 0.00 C ATOM 0 HA PRO A 103 -14.408 3.314 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -12.172 1.995 -10.870 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -12.022 3.383 -9.811 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.584 0.475 -9.173 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.865 1.883 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -13.017 0.356 -7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -12.513 1.934 -6.762 1.00 0.00 H new ATOM 1192 N GLY A 104 -14.342 1.429 -11.835 1.00 0.00 N ATOM 1193 CA GLY A 104 -14.948 0.486 -12.816 1.00 0.00 C ATOM 1194 C GLY A 104 -14.402 0.821 -14.204 1.00 0.00 C ATOM 1195 O GLY A 104 -14.176 -0.045 -15.024 1.00 0.00 O ATOM 0 H GLY A 104 -13.721 2.128 -12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.707 -0.544 -12.552 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -16.035 0.572 -12.804 1.00 0.00 H new ATOM 1199 N GLN A 105 -14.181 2.081 -14.461 1.00 0.00 N ATOM 1200 CA GLN A 105 -13.637 2.500 -15.781 1.00 0.00 C ATOM 1201 C GLN A 105 -12.510 3.509 -15.554 1.00 0.00 C ATOM 1202 O GLN A 105 -12.179 3.840 -14.433 1.00 0.00 O ATOM 1203 CB GLN A 105 -14.745 3.156 -16.607 1.00 0.00 C ATOM 1204 CG GLN A 105 -14.518 2.867 -18.092 1.00 0.00 C ATOM 1205 CD GLN A 105 -14.096 4.154 -18.803 1.00 0.00 C ATOM 1206 OE1 GLN A 105 -13.092 4.182 -19.487 1.00 0.00 O ATOM 1207 NE2 GLN A 105 -14.824 5.229 -18.670 1.00 0.00 N ATOM 0 H GLN A 105 -14.356 2.844 -13.807 1.00 0.00 H new ATOM 0 HA GLN A 105 -13.256 1.630 -16.316 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -15.718 2.775 -16.297 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.754 4.232 -16.433 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -13.749 2.104 -18.212 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.430 2.473 -18.540 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -15.667 5.206 -18.096 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -14.550 6.092 -19.140 1.00 0.00 H new ATOM 1216 N ASN A 105A -11.922 4.004 -16.606 1.00 0.00 N ATOM 1217 CA ASN A 105A -10.822 4.995 -16.446 1.00 0.00 C ATOM 1218 C ASN A 105A -9.752 4.433 -15.503 1.00 0.00 C ATOM 1219 O ASN A 105A -9.492 3.246 -15.481 1.00 0.00 O ATOM 1220 CB ASN A 105A -11.392 6.288 -15.863 1.00 0.00 C ATOM 1221 CG ASN A 105A -10.664 7.490 -16.469 1.00 0.00 C ATOM 1222 OD1 ASN A 105A -9.665 7.938 -15.943 1.00 0.00 O ATOM 1223 ND2 ASN A 105A -11.124 8.034 -17.563 1.00 0.00 N ATOM 0 H ASN A 105A -12.155 3.765 -17.570 1.00 0.00 H new ATOM 0 HA ASN A 105A -10.370 5.198 -17.417 1.00 0.00 H new ATOM 0 HB2 ASN A 105A -12.460 6.353 -16.072 1.00 0.00 H new ATOM 0 HB3 ASN A 105A -11.279 6.291 -14.779 1.00 0.00 H new ATOM 0 HD21 ASN A 105A -10.645 8.834 -17.975 1.00 0.00 H new ATOM 0 HD22 ASN A 105A -11.963 7.659 -18.006 1.00 0.00 H new ATOM 1230 N GLU A 106 -9.124 5.276 -14.727 1.00 0.00 N ATOM 1231 CA GLU A 106 -8.066 4.793 -13.792 1.00 0.00 C ATOM 1232 C GLU A 106 -8.708 4.016 -12.640 1.00 0.00 C ATOM 1233 O GLU A 106 -9.910 3.852 -12.583 1.00 0.00 O ATOM 1234 CB GLU A 106 -7.296 5.992 -13.235 1.00 0.00 C ATOM 1235 CG GLU A 106 -5.948 6.105 -13.949 1.00 0.00 C ATOM 1236 CD GLU A 106 -4.866 6.503 -12.943 1.00 0.00 C ATOM 1237 OE1 GLU A 106 -5.131 7.377 -12.134 1.00 0.00 O ATOM 1238 OE2 GLU A 106 -3.792 5.929 -13.000 1.00 0.00 O ATOM 0 H GLU A 106 -9.299 6.281 -14.700 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.381 4.136 -14.329 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.873 6.906 -13.376 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.143 5.874 -12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.692 5.154 -14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.008 6.846 -14.746 1.00 0.00 H new ATOM 1245 N ASP A 107 -7.910 3.530 -11.723 1.00 0.00 N ATOM 1246 CA ASP A 107 -8.476 2.757 -10.577 1.00 0.00 C ATOM 1247 C ASP A 107 -7.568 2.895 -9.346 1.00 0.00 C ATOM 1248 O ASP A 107 -6.357 2.883 -9.447 1.00 0.00 O ATOM 1249 CB ASP A 107 -8.582 1.282 -10.966 1.00 0.00 C ATOM 1250 CG ASP A 107 -9.922 1.033 -11.662 1.00 0.00 C ATOM 1251 OD1 ASP A 107 -10.097 1.531 -12.762 1.00 0.00 O ATOM 1252 OD2 ASP A 107 -10.749 0.350 -11.083 1.00 0.00 O ATOM 0 H ASP A 107 -6.895 3.635 -11.718 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.464 3.149 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.760 1.009 -11.628 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.499 0.654 -10.079 1.00 0.00 H new ATOM 1257 N LEU A 108 -8.155 3.020 -8.184 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.354 3.153 -6.929 1.00 0.00 C ATOM 1259 C LEU A 108 -6.393 4.307 -7.021 1.00 0.00 C ATOM 1260 O LEU A 108 -6.275 4.985 -8.022 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.552 1.884 -6.659 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.477 0.848 -6.046 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.579 0.547 -7.047 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.687 -0.425 -5.736 1.00 0.00 C ATOM 0 H LEU A 108 -9.166 3.036 -8.049 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.060 3.326 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.120 1.505 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.723 2.097 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.909 1.223 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.258 -0.196 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.132 1.461 -7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.140 0.160 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.352 -1.168 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.259 -0.821 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.886 -0.194 -5.034 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.736 4.543 -5.940 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.791 5.678 -5.872 1.00 0.00 C ATOM 1278 C VAL A 109 -3.684 5.399 -4.862 1.00 0.00 C ATOM 1279 O VAL A 109 -3.814 4.558 -3.996 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.590 6.862 -5.374 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.082 6.541 -3.979 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.729 8.124 -5.339 1.00 0.00 C ATOM 0 H VAL A 109 -5.811 3.992 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.336 5.851 -6.847 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.428 7.047 -6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.662 7.380 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.709 5.650 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.229 6.361 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.326 8.962 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.881 7.968 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.365 8.344 -6.343 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.616 6.140 -4.932 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.538 5.987 -3.967 1.00 0.00 C ATOM 1294 C LEU A 110 -1.725 7.125 -2.958 1.00 0.00 C ATOM 1295 O LEU A 110 -1.167 8.195 -3.088 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.231 6.126 -4.730 1.00 0.00 C ATOM 1297 CG LEU A 110 0.874 6.490 -3.774 1.00 0.00 C ATOM 1298 CD1 LEU A 110 0.966 5.420 -2.695 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.172 6.573 -4.559 1.00 0.00 C ATOM 0 H LEU A 110 -2.458 6.857 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.535 5.028 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.007 5.191 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.327 6.892 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 110 0.679 7.450 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.764 5.675 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.019 5.362 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.181 4.456 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.988 6.836 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.380 5.608 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.081 7.335 -5.333 1.00 0.00 H new ATOM 1311 N THR A 111 -2.576 6.923 -1.995 1.00 0.00 N ATOM 1312 CA THR A 111 -2.870 8.008 -1.013 1.00 0.00 C ATOM 1313 C THR A 111 -1.672 8.286 -0.099 1.00 0.00 C ATOM 1314 O THR A 111 -1.661 9.263 0.622 1.00 0.00 O ATOM 1315 CB THR A 111 -4.084 7.614 -0.171 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.114 6.203 -0.010 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.360 8.074 -0.876 1.00 0.00 C ATOM 0 H THR A 111 -3.084 6.052 -1.842 1.00 0.00 H new ATOM 0 HA THR A 111 -3.080 8.921 -1.569 1.00 0.00 H new ATOM 0 HB THR A 111 -4.017 8.088 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.892 5.952 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.227 7.794 -0.278 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.338 9.157 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.426 7.599 -1.855 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.661 7.463 -0.114 1.00 0.00 N ATOM 1326 CA GLY A 112 0.508 7.750 0.770 1.00 0.00 C ATOM 1327 C GLY A 112 1.492 6.581 0.780 1.00 0.00 C ATOM 1328 O GLY A 112 1.449 5.706 -0.061 1.00 0.00 O ATOM 0 H GLY A 112 -0.590 6.621 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.014 8.652 0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.161 7.946 1.785 1.00 0.00 H new ATOM 1332 N TYR A 113 2.392 6.588 1.731 1.00 0.00 N ATOM 1333 CA TYR A 113 3.415 5.524 1.832 1.00 0.00 C ATOM 1334 C TYR A 113 4.505 6.003 2.798 1.00 0.00 C ATOM 1335 O TYR A 113 4.863 7.164 2.805 1.00 0.00 O ATOM 1336 CB TYR A 113 4.049 5.320 0.467 1.00 0.00 C ATOM 1337 CG TYR A 113 4.487 6.661 -0.059 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.731 7.180 0.317 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.647 7.396 -0.902 1.00 0.00 C ATOM 1340 CE1 TYR A 113 6.138 8.432 -0.152 1.00 0.00 C ATOM 1341 CE2 TYR A 113 4.052 8.652 -1.370 1.00 0.00 C ATOM 1342 CZ TYR A 113 5.298 9.170 -0.996 1.00 0.00 C ATOM 1343 OH TYR A 113 5.698 10.408 -1.455 1.00 0.00 O ATOM 0 H TYR A 113 2.455 7.306 2.453 1.00 0.00 H new ATOM 0 HA TYR A 113 2.963 4.595 2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.902 4.645 0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.337 4.859 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.377 6.612 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.687 6.995 -1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.100 8.830 0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.403 9.221 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 113 5.007 10.778 -2.043 1.00 0.00 H new ATOM 1353 N GLN A 114 5.064 5.131 3.589 1.00 0.00 N ATOM 1354 CA GLN A 114 6.156 5.573 4.507 1.00 0.00 C ATOM 1355 C GLN A 114 7.477 5.063 3.935 1.00 0.00 C ATOM 1356 O GLN A 114 7.784 3.897 4.012 1.00 0.00 O ATOM 1357 CB GLN A 114 5.955 5.012 5.926 1.00 0.00 C ATOM 1358 CG GLN A 114 4.463 4.988 6.280 1.00 0.00 C ATOM 1359 CD GLN A 114 3.930 6.422 6.339 1.00 0.00 C ATOM 1360 OE1 GLN A 114 3.796 7.075 5.323 1.00 0.00 O ATOM 1361 NE2 GLN A 114 3.621 6.944 7.494 1.00 0.00 N ATOM 0 H GLN A 114 4.818 4.143 3.642 1.00 0.00 H new ATOM 0 HA GLN A 114 6.152 6.661 4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.367 4.005 5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.497 5.624 6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.911 4.414 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.314 4.493 7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.733 6.397 8.347 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.267 7.899 7.544 1.00 0.00 H new ATOM 1370 N VAL A 115 8.249 5.914 3.327 1.00 0.00 N ATOM 1371 CA VAL A 115 9.517 5.450 2.727 1.00 0.00 C ATOM 1372 C VAL A 115 10.519 5.037 3.805 1.00 0.00 C ATOM 1373 O VAL A 115 10.397 5.387 4.963 1.00 0.00 O ATOM 1374 CB VAL A 115 10.087 6.570 1.870 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.916 7.513 2.727 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.958 5.973 0.780 1.00 0.00 C ATOM 0 H VAL A 115 8.054 6.910 3.221 1.00 0.00 H new ATOM 0 HA VAL A 115 9.323 4.572 2.111 1.00 0.00 H new ATOM 0 HB VAL A 115 9.268 7.131 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.319 8.311 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.287 7.944 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.736 6.961 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 115 11.368 6.773 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.773 5.410 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.359 5.307 0.159 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.514 4.303 3.409 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.564 3.851 4.371 1.00 0.00 C ATOM 1388 C ASP A 115A 11.932 3.179 5.600 1.00 0.00 C ATOM 1389 O ASP A 115A 12.555 3.063 6.638 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.383 5.062 4.817 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.824 4.632 5.103 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 15.128 3.471 4.886 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.598 5.471 5.537 1.00 0.00 O ATOM 0 H ASP A 115A 11.651 3.990 2.448 1.00 0.00 H new ATOM 0 HA ASP A 115A 13.205 3.122 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.369 5.828 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.941 5.504 5.710 1.00 0.00 H new ATOM 1398 N LYS A 116 10.710 2.722 5.497 1.00 0.00 N ATOM 1399 CA LYS A 116 10.057 2.052 6.652 1.00 0.00 C ATOM 1400 C LYS A 116 10.674 0.643 6.808 1.00 0.00 C ATOM 1401 O LYS A 116 11.314 0.152 5.899 1.00 0.00 O ATOM 1402 CB LYS A 116 8.542 2.034 6.369 1.00 0.00 C ATOM 1403 CG LYS A 116 8.007 0.624 6.183 1.00 0.00 C ATOM 1404 CD LYS A 116 8.320 0.110 4.787 1.00 0.00 C ATOM 1405 CE LYS A 116 7.350 -1.032 4.464 1.00 0.00 C ATOM 1406 NZ LYS A 116 7.548 -2.148 5.436 1.00 0.00 N ATOM 0 H LYS A 116 10.137 2.787 4.656 1.00 0.00 H new ATOM 0 HA LYS A 116 10.216 2.571 7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.015 2.514 7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 116 8.335 2.620 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.448 -0.039 6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 116 6.929 0.614 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.219 0.912 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.351 -0.241 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.322 -0.673 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.517 -1.388 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.619 -3.049 4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.423 -1.987 5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.740 -2.186 6.090 1.00 0.00 H new ATOM 1420 N ASN A 117 10.538 -0.005 7.950 1.00 0.00 N ATOM 1421 CA ASN A 117 11.191 -1.351 8.094 1.00 0.00 C ATOM 1422 C ASN A 117 10.463 -2.262 9.102 1.00 0.00 C ATOM 1423 O ASN A 117 9.353 -2.003 9.516 1.00 0.00 O ATOM 1424 CB ASN A 117 12.634 -1.154 8.567 1.00 0.00 C ATOM 1425 CG ASN A 117 13.225 0.091 7.903 1.00 0.00 C ATOM 1426 OD1 ASN A 117 12.834 1.201 8.209 1.00 0.00 O ATOM 1427 ND2 ASN A 117 14.159 -0.046 7.003 1.00 0.00 N ATOM 0 H ASN A 117 10.020 0.328 8.763 1.00 0.00 H new ATOM 0 HA ASN A 117 11.151 -1.838 7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.661 -1.048 9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.232 -2.030 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.561 0.778 6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.487 -0.977 6.746 1.00 0.00 H new ATOM 1434 N LYS A 118 11.111 -3.349 9.466 1.00 0.00 N ATOM 1435 CA LYS A 118 10.524 -4.352 10.419 1.00 0.00 C ATOM 1436 C LYS A 118 9.694 -3.685 11.524 1.00 0.00 C ATOM 1437 O LYS A 118 8.663 -4.193 11.918 1.00 0.00 O ATOM 1438 CB LYS A 118 11.655 -5.153 11.065 1.00 0.00 C ATOM 1439 CG LYS A 118 11.073 -6.406 11.723 1.00 0.00 C ATOM 1440 CD LYS A 118 12.199 -7.224 12.354 1.00 0.00 C ATOM 1441 CE LYS A 118 11.948 -8.712 12.110 1.00 0.00 C ATOM 1442 NZ LYS A 118 13.131 -9.495 12.565 1.00 0.00 N ATOM 0 H LYS A 118 12.045 -3.588 9.133 1.00 0.00 H new ATOM 0 HA LYS A 118 9.861 -5.002 9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 118 12.394 -5.432 10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 118 12.170 -4.544 11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 118 10.344 -6.125 12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 118 10.545 -7.006 10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 118 13.158 -6.932 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 118 12.252 -7.024 13.424 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.056 -9.034 12.647 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.764 -8.892 11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.962 -10.508 12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 13.972 -9.193 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 13.286 -9.331 13.580 1.00 0.00 H new ATOM 1456 N ASP A 119 10.125 -2.559 12.024 1.00 0.00 N ATOM 1457 CA ASP A 119 9.344 -1.857 13.092 1.00 0.00 C ATOM 1458 C ASP A 119 8.338 -0.967 12.381 1.00 0.00 C ATOM 1459 O ASP A 119 8.295 0.234 12.560 1.00 0.00 O ATOM 1460 CB ASP A 119 10.283 -0.999 13.944 1.00 0.00 C ATOM 1461 CG ASP A 119 9.508 -0.409 15.124 1.00 0.00 C ATOM 1462 OD1 ASP A 119 8.302 -0.266 15.004 1.00 0.00 O ATOM 1463 OD2 ASP A 119 10.132 -0.110 16.128 1.00 0.00 O ATOM 0 H ASP A 119 10.986 -2.091 11.741 1.00 0.00 H new ATOM 0 HA ASP A 119 8.846 -2.570 13.749 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.115 -1.603 14.307 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.710 -0.199 13.339 1.00 0.00 H new ATOM 1468 N ASP A 120 7.590 -1.562 11.508 1.00 0.00 N ATOM 1469 CA ASP A 120 6.632 -0.807 10.671 1.00 0.00 C ATOM 1470 C ASP A 120 5.234 -0.746 11.279 1.00 0.00 C ATOM 1471 O ASP A 120 4.499 -1.713 11.263 1.00 0.00 O ATOM 1472 CB ASP A 120 6.519 -1.553 9.363 1.00 0.00 C ATOM 1473 CG ASP A 120 6.578 -0.592 8.214 1.00 0.00 C ATOM 1474 OD1 ASP A 120 6.899 0.563 8.447 1.00 0.00 O ATOM 1475 OD2 ASP A 120 6.286 -1.018 7.116 1.00 0.00 O ATOM 0 H ASP A 120 7.603 -2.567 11.335 1.00 0.00 H new ATOM 0 HA ASP A 120 6.996 0.215 10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 120 7.326 -2.281 9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 120 5.583 -2.110 9.333 1.00 0.00 H new ATOM 1480 N GLU A 121 4.835 0.393 11.754 1.00 0.00 N ATOM 1481 CA GLU A 121 3.462 0.524 12.288 1.00 0.00 C ATOM 1482 C GLU A 121 2.616 1.240 11.229 1.00 0.00 C ATOM 1483 O GLU A 121 2.752 2.430 11.036 1.00 0.00 O ATOM 1484 CB GLU A 121 3.491 1.349 13.575 1.00 0.00 C ATOM 1485 CG GLU A 121 2.434 0.816 14.542 1.00 0.00 C ATOM 1486 CD GLU A 121 3.019 0.740 15.954 1.00 0.00 C ATOM 1487 OE1 GLU A 121 3.072 1.767 16.610 1.00 0.00 O ATOM 1488 OE2 GLU A 121 3.403 -0.346 16.357 1.00 0.00 O ATOM 0 H GLU A 121 5.402 1.240 11.795 1.00 0.00 H new ATOM 0 HA GLU A 121 3.040 -0.456 12.512 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.479 1.295 14.033 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.300 2.399 13.352 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.559 1.467 14.535 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.100 -0.171 14.223 1.00 0.00 H new ATOM 1495 N LEU A 122 1.753 0.549 10.525 1.00 0.00 N ATOM 1496 CA LEU A 122 0.936 1.260 9.495 1.00 0.00 C ATOM 1497 C LEU A 122 -0.038 2.173 10.222 1.00 0.00 C ATOM 1498 O LEU A 122 -0.386 3.230 9.745 1.00 0.00 O ATOM 1499 CB LEU A 122 0.213 0.263 8.591 1.00 0.00 C ATOM 1500 CG LEU A 122 1.267 -0.349 7.680 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.282 -1.849 7.851 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.009 -0.022 6.210 1.00 0.00 C ATOM 0 H LEU A 122 1.581 -0.452 10.615 1.00 0.00 H new ATOM 0 HA LEU A 122 1.577 1.856 8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.281 -0.508 9.183 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.561 0.761 8.007 1.00 0.00 H new ATOM 0 HG LEU A 122 2.229 0.077 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.038 -2.282 7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.515 -2.095 8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.304 -2.254 7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.784 -0.478 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.035 -0.413 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.023 1.059 6.070 1.00 0.00 H new ATOM 1514 N THR A 123 -0.419 1.800 11.412 1.00 0.00 N ATOM 1515 CA THR A 123 -1.304 2.682 12.223 1.00 0.00 C ATOM 1516 C THR A 123 -2.369 3.333 11.339 1.00 0.00 C ATOM 1517 O THR A 123 -2.639 2.898 10.239 1.00 0.00 O ATOM 1518 CB THR A 123 -0.422 3.777 12.871 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.726 5.049 12.312 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.060 3.476 12.612 1.00 0.00 C ATOM 0 H THR A 123 -0.155 0.922 11.858 1.00 0.00 H new ATOM 0 HA THR A 123 -1.812 2.094 12.988 1.00 0.00 H new ATOM 0 HB THR A 123 -0.621 3.787 13.943 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.163 5.733 12.731 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.674 4.251 13.071 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.315 2.508 13.043 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.245 3.455 11.538 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.951 4.400 11.814 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.983 5.125 11.012 1.00 0.00 C ATOM 1530 C GLY A 124 -3.311 5.812 9.820 1.00 0.00 C ATOM 1531 O GLY A 124 -3.956 6.448 9.010 1.00 0.00 O ATOM 0 H GLY A 124 -2.756 4.805 12.730 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.744 4.427 10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.489 5.864 11.633 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.019 5.673 9.700 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.296 6.298 8.558 1.00 0.00 C ATOM 1537 C PHE A 125 -1.917 5.809 7.247 1.00 0.00 C ATOM 1538 O PHE A 125 -1.632 4.689 6.866 1.00 0.00 O ATOM 1539 CB PHE A 125 0.202 5.923 8.650 1.00 0.00 C ATOM 1540 CG PHE A 125 0.763 5.529 7.296 1.00 0.00 C ATOM 1541 CD1 PHE A 125 0.929 6.489 6.291 1.00 0.00 C ATOM 1542 CD2 PHE A 125 1.111 4.193 7.051 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.441 6.111 5.042 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.626 3.817 5.805 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.789 4.779 4.799 1.00 0.00 C ATOM 1546 OXT PHE A 125 -2.662 6.567 6.649 1.00 0.00 O ATOM 0 H PHE A 125 -1.430 5.150 10.348 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.381 7.384 8.591 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.766 6.768 9.046 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.329 5.098 9.351 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.663 7.519 6.477 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.981 3.452 7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.567 6.851 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.897 2.788 5.619 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.184 4.491 3.836 1.00 0.00 H new TER 1556 PHE A 125