USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 36 THR OG1 : rot -150:sc= -0.662 USER MOD Set 1.2: A 43 GLN :FLIP amide:sc= -5.25! C(o=-8.2!,f=-7.5!) USER MOD Set 1.3: A 74 MET CE :methyl 151:sc= -1.56 (180deg=-1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0401 (180deg=-0.393) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.55 USER MOD Single : A 29 LYS NZ :NH3+ -118:sc= -3.27! (180deg=-5.62!) USER MOD Single : A 30 GLN : amide:sc= -0.469 K(o=-0.47,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ -123:sc= 0.76 (180deg=-4.25!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.22) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 1.16 (180deg=0.907) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= -0.0224 (180deg=-0.257) USER MOD Single : A 69 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.095) USER MOD Single : A 70 THR OG1 : rot -164:sc= -0.598 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -43:sc= 0.311 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.915 0.307 -0.397 1.00 0.00 N ATOM 2 CA MET A 1 3.012 0.209 -1.848 1.00 0.00 C ATOM 3 C MET A 1 3.341 -1.218 -2.276 1.00 0.00 C ATOM 4 O MET A 1 4.135 -1.902 -1.630 1.00 0.00 O ATOM 5 CB MET A 1 4.078 1.170 -2.376 1.00 0.00 C ATOM 6 CG MET A 1 3.751 2.634 -2.132 1.00 0.00 C ATOM 7 SD MET A 1 5.095 3.736 -2.611 1.00 0.00 S ATOM 8 CE MET A 1 4.727 3.985 -4.346 1.00 0.00 C ATOM 0 H1 MET A 1 2.404 1.176 -0.141 1.00 0.00 H new ATOM 0 H2 MET A 1 2.401 -0.518 -0.027 1.00 0.00 H new ATOM 0 H3 MET A 1 3.870 0.333 0.014 1.00 0.00 H new ATOM 0 HA MET A 1 2.045 0.483 -2.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.032 0.936 -1.904 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.203 1.008 -3.447 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.853 2.899 -2.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.525 2.781 -1.076 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.473 4.648 -4.785 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.745 3.026 -4.863 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.739 4.433 -4.448 1.00 0.00 H new ATOM 18 N ALA A 2 2.725 -1.661 -3.367 1.00 0.00 N ATOM 19 CA ALA A 2 2.955 -3.006 -3.881 1.00 0.00 C ATOM 20 C ALA A 2 4.409 -3.193 -4.300 1.00 0.00 C ATOM 21 O ALA A 2 4.918 -2.466 -5.154 1.00 0.00 O ATOM 22 CB ALA A 2 2.025 -3.290 -5.051 1.00 0.00 C ATOM 0 H ALA A 2 2.063 -1.108 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 2 2.741 -3.715 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.208 -4.297 -5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.989 -3.208 -4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.211 -2.569 -5.847 1.00 0.00 H new ATOM 28 N LEU A 3 5.073 -4.171 -3.694 1.00 0.00 N ATOM 29 CA LEU A 3 6.471 -4.453 -4.005 1.00 0.00 C ATOM 30 C LEU A 3 6.583 -5.539 -5.070 1.00 0.00 C ATOM 31 O LEU A 3 6.210 -6.693 -4.857 1.00 0.00 O ATOM 32 CB LEU A 3 7.217 -4.883 -2.741 1.00 0.00 C ATOM 33 CG LEU A 3 7.885 -3.763 -1.942 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.616 -4.331 -0.735 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.842 -2.976 -2.825 1.00 0.00 C ATOM 0 H LEU A 3 4.667 -4.782 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 3 6.923 -3.541 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.515 -5.400 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.982 -5.607 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 3 7.110 -3.085 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.085 -3.519 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.906 -4.850 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.381 -5.031 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.308 -2.183 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.613 -3.643 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.292 -2.537 -3.657 1.00 0.00 H new ATOM 47 N PRO A 4 7.111 -5.163 -6.245 1.00 0.00 N ATOM 48 CA PRO A 4 7.288 -6.091 -7.366 1.00 0.00 C ATOM 49 C PRO A 4 8.375 -7.126 -7.096 1.00 0.00 C ATOM 50 O PRO A 4 9.263 -6.906 -6.271 1.00 0.00 O ATOM 51 CB PRO A 4 7.696 -5.175 -8.523 1.00 0.00 C ATOM 52 CG PRO A 4 8.312 -3.988 -7.867 1.00 0.00 C ATOM 53 CD PRO A 4 7.577 -3.804 -6.568 1.00 0.00 C ATOM 0 HA PRO A 4 6.386 -6.671 -7.561 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.402 -5.670 -9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.834 -4.891 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.376 -4.147 -7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.220 -3.103 -8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.229 -3.407 -5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.745 -3.108 -6.672 1.00 0.00 H new ATOM 61 N ILE A 5 8.300 -8.252 -7.797 1.00 0.00 N ATOM 62 CA ILE A 5 9.279 -9.320 -7.633 1.00 0.00 C ATOM 63 C ILE A 5 9.489 -10.078 -8.939 1.00 0.00 C ATOM 64 O ILE A 5 8.530 -10.521 -9.572 1.00 0.00 O ATOM 65 CB ILE A 5 8.850 -10.314 -6.538 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.123 -9.729 -5.151 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.577 -11.639 -6.712 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.718 -10.725 -4.181 1.00 0.00 C ATOM 0 H ILE A 5 7.572 -8.449 -8.484 1.00 0.00 H new ATOM 0 HA ILE A 5 10.215 -8.847 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 5 7.779 -10.494 -6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.801 -8.881 -5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.190 -9.345 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.263 -12.331 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.337 -12.060 -7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.652 -11.476 -6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.885 -10.241 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.032 -11.562 -4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.667 -11.091 -4.572 1.00 0.00 H new ATOM 80 N ILE A 6 10.748 -10.225 -9.336 1.00 0.00 N ATOM 81 CA ILE A 6 11.084 -10.933 -10.565 1.00 0.00 C ATOM 82 C ILE A 6 11.456 -12.384 -10.280 1.00 0.00 C ATOM 83 O ILE A 6 12.243 -12.668 -9.377 1.00 0.00 O ATOM 84 CB ILE A 6 12.249 -10.252 -11.307 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.848 -8.842 -11.746 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.672 -11.085 -12.507 1.00 0.00 C ATOM 87 CD1 ILE A 6 13.021 -7.900 -11.899 1.00 0.00 C ATOM 0 H ILE A 6 11.553 -9.863 -8.824 1.00 0.00 H new ATOM 0 HA ILE A 6 10.196 -10.906 -11.197 1.00 0.00 H new ATOM 0 HB ILE A 6 13.097 -10.174 -10.627 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.316 -8.903 -12.695 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.152 -8.427 -11.017 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.496 -10.590 -13.021 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.993 -12.071 -12.171 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.830 -11.192 -13.191 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.662 -6.920 -12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.541 -7.808 -10.945 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.707 -8.292 -12.650 1.00 0.00 H new ATOM 99 N VAL A 7 10.888 -13.299 -11.058 1.00 0.00 N ATOM 100 CA VAL A 7 11.162 -14.722 -10.891 1.00 0.00 C ATOM 101 C VAL A 7 11.820 -15.304 -12.137 1.00 0.00 C ATOM 102 O VAL A 7 11.517 -14.899 -13.260 1.00 0.00 O ATOM 103 CB VAL A 7 9.874 -15.510 -10.588 1.00 0.00 C ATOM 104 CG1 VAL A 7 10.191 -16.978 -10.349 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.152 -14.910 -9.391 1.00 0.00 C ATOM 0 H VAL A 7 10.235 -13.081 -11.811 1.00 0.00 H new ATOM 0 HA VAL A 7 11.844 -14.816 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 7 9.214 -15.441 -11.453 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.269 -17.519 -10.136 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.662 -17.398 -11.238 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.870 -17.070 -9.501 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.244 -15.479 -9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.803 -14.947 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.891 -13.874 -9.606 1.00 0.00 H new ATOM 115 N LYS A 8 12.722 -16.258 -11.933 1.00 0.00 N ATOM 116 CA LYS A 8 13.423 -16.899 -13.039 1.00 0.00 C ATOM 117 C LYS A 8 13.191 -18.406 -13.029 1.00 0.00 C ATOM 118 O LYS A 8 13.524 -19.089 -12.060 1.00 0.00 O ATOM 119 CB LYS A 8 14.922 -16.602 -12.960 1.00 0.00 C ATOM 120 CG LYS A 8 15.572 -16.388 -14.316 1.00 0.00 C ATOM 121 CD LYS A 8 16.675 -15.345 -14.247 1.00 0.00 C ATOM 122 CE LYS A 8 16.544 -14.321 -15.364 1.00 0.00 C ATOM 123 NZ LYS A 8 17.505 -14.582 -16.471 1.00 0.00 N ATOM 0 H LYS A 8 12.985 -16.605 -11.010 1.00 0.00 H new ATOM 0 HA LYS A 8 13.028 -16.495 -13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.076 -15.713 -12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.421 -17.428 -12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.984 -17.331 -14.676 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.817 -16.074 -15.037 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.639 -14.839 -13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.646 -15.836 -14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.527 -14.338 -15.755 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.715 -13.322 -14.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.384 -13.863 -17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.477 -14.541 -16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.326 -15.525 -16.871 1.00 0.00 H new ATOM 137 N TRP A 9 12.620 -18.919 -14.113 1.00 0.00 N ATOM 138 CA TRP A 9 12.345 -20.347 -14.229 1.00 0.00 C ATOM 139 C TRP A 9 12.488 -20.813 -15.673 1.00 0.00 C ATOM 140 O TRP A 9 11.873 -20.254 -16.580 1.00 0.00 O ATOM 141 CB TRP A 9 10.939 -20.660 -13.715 1.00 0.00 C ATOM 142 CG TRP A 9 10.519 -22.078 -13.959 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.337 -22.503 -14.494 1.00 0.00 C ATOM 144 CD2 TRP A 9 11.279 -23.257 -13.673 1.00 0.00 C ATOM 145 NE1 TRP A 9 9.316 -23.875 -14.559 1.00 0.00 N ATOM 146 CE2 TRP A 9 10.496 -24.362 -14.062 1.00 0.00 C ATOM 147 CE3 TRP A 9 12.545 -23.488 -13.128 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.940 -25.674 -13.921 1.00 0.00 C ATOM 149 CZ3 TRP A 9 12.984 -24.791 -12.989 1.00 0.00 C ATOM 150 CH2 TRP A 9 12.183 -25.871 -13.385 1.00 0.00 C ATOM 0 H TRP A 9 12.338 -18.368 -14.924 1.00 0.00 H new ATOM 0 HA TRP A 9 13.074 -20.883 -13.621 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.897 -20.455 -12.645 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.227 -19.990 -14.196 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.536 -21.855 -14.819 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.547 -24.440 -14.919 1.00 0.00 H new ATOM 0 HE3 TRP A 9 13.170 -22.662 -12.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 10.324 -26.508 -14.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 13.960 -24.980 -12.568 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.554 -26.878 -13.265 1.00 0.00 H new ATOM 161 N GLY A 10 13.303 -21.843 -15.881 1.00 0.00 N ATOM 162 CA GLY A 10 13.511 -22.366 -17.218 1.00 0.00 C ATOM 163 C GLY A 10 13.984 -21.304 -18.190 1.00 0.00 C ATOM 164 O GLY A 10 13.682 -21.363 -19.381 1.00 0.00 O ATOM 0 H GLY A 10 13.823 -22.324 -15.147 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.245 -23.171 -17.179 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.580 -22.800 -17.584 1.00 0.00 H new ATOM 168 N GLY A 11 14.727 -20.326 -17.680 1.00 0.00 N ATOM 169 CA GLY A 11 15.229 -19.258 -18.525 1.00 0.00 C ATOM 170 C GLY A 11 14.193 -18.179 -18.772 1.00 0.00 C ATOM 171 O GLY A 11 14.477 -17.178 -19.429 1.00 0.00 O ATOM 0 H GLY A 11 14.990 -20.254 -16.697 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.108 -18.813 -18.059 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.550 -19.675 -19.480 1.00 0.00 H new ATOM 175 N GLN A 12 12.990 -18.384 -18.246 1.00 0.00 N ATOM 176 CA GLN A 12 11.909 -17.421 -18.416 1.00 0.00 C ATOM 177 C GLN A 12 11.949 -16.359 -17.322 1.00 0.00 C ATOM 178 O GLN A 12 12.622 -16.528 -16.306 1.00 0.00 O ATOM 179 CB GLN A 12 10.555 -18.134 -18.400 1.00 0.00 C ATOM 180 CG GLN A 12 10.404 -19.176 -19.497 1.00 0.00 C ATOM 181 CD GLN A 12 10.673 -18.613 -20.878 1.00 0.00 C ATOM 182 OE1 GLN A 12 9.941 -17.748 -21.361 1.00 0.00 O ATOM 183 NE2 GLN A 12 11.726 -19.101 -21.523 1.00 0.00 N ATOM 0 H GLN A 12 12.740 -19.208 -17.699 1.00 0.00 H new ATOM 0 HA GLN A 12 12.043 -16.930 -19.380 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.418 -18.615 -17.432 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.762 -17.393 -18.502 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.090 -20.001 -19.306 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.395 -19.586 -19.466 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.305 -19.817 -21.085 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.955 -18.760 -22.456 1.00 0.00 H new ATOM 192 N GLU A 13 11.225 -15.265 -17.539 1.00 0.00 N ATOM 193 CA GLU A 13 11.181 -14.175 -16.571 1.00 0.00 C ATOM 194 C GLU A 13 9.741 -13.758 -16.288 1.00 0.00 C ATOM 195 O GLU A 13 8.992 -13.413 -17.203 1.00 0.00 O ATOM 196 CB GLU A 13 11.980 -12.976 -17.084 1.00 0.00 C ATOM 197 CG GLU A 13 13.299 -12.768 -16.359 1.00 0.00 C ATOM 198 CD GLU A 13 14.357 -12.134 -17.241 1.00 0.00 C ATOM 199 OE1 GLU A 13 14.436 -12.505 -18.431 1.00 0.00 O ATOM 200 OE2 GLU A 13 15.105 -11.267 -16.742 1.00 0.00 O ATOM 0 H GLU A 13 10.662 -15.110 -18.375 1.00 0.00 H new ATOM 0 HA GLU A 13 11.628 -14.529 -15.642 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.177 -13.110 -18.148 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.374 -12.076 -16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.134 -12.137 -15.486 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.664 -13.728 -15.994 1.00 0.00 H new ATOM 207 N TYR A 14 9.360 -13.792 -15.016 1.00 0.00 N ATOM 208 CA TYR A 14 8.010 -13.420 -14.612 1.00 0.00 C ATOM 209 C TYR A 14 8.040 -12.480 -13.411 1.00 0.00 C ATOM 210 O TYR A 14 8.486 -12.855 -12.326 1.00 0.00 O ATOM 211 CB TYR A 14 7.193 -14.669 -14.276 1.00 0.00 C ATOM 212 CG TYR A 14 7.207 -15.714 -15.370 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.360 -15.611 -16.466 1.00 0.00 C ATOM 214 CD2 TYR A 14 8.068 -16.803 -15.306 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.369 -16.564 -17.467 1.00 0.00 C ATOM 216 CE2 TYR A 14 8.085 -17.759 -16.303 1.00 0.00 C ATOM 217 CZ TYR A 14 7.233 -17.635 -17.381 1.00 0.00 C ATOM 218 OH TYR A 14 7.246 -18.585 -18.376 1.00 0.00 O ATOM 0 H TYR A 14 9.968 -14.074 -14.247 1.00 0.00 H new ATOM 0 HA TYR A 14 7.539 -12.899 -15.446 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.581 -15.111 -13.358 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.162 -14.376 -14.078 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.683 -14.772 -16.537 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.735 -16.904 -14.463 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.703 -16.470 -18.312 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.761 -18.599 -16.239 1.00 0.00 H new ATOM 0 HH TYR A 14 6.997 -18.170 -19.228 1.00 0.00 H new ATOM 228 N SER A 15 7.560 -11.257 -13.612 1.00 0.00 N ATOM 229 CA SER A 15 7.534 -10.261 -12.547 1.00 0.00 C ATOM 230 C SER A 15 6.155 -10.197 -11.898 1.00 0.00 C ATOM 231 O SER A 15 5.147 -10.530 -12.520 1.00 0.00 O ATOM 232 CB SER A 15 7.916 -8.886 -13.097 1.00 0.00 C ATOM 233 OG SER A 15 8.193 -7.976 -12.047 1.00 0.00 O ATOM 0 H SER A 15 7.184 -10.932 -14.503 1.00 0.00 H new ATOM 0 HA SER A 15 8.260 -10.555 -11.789 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.790 -8.979 -13.742 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.104 -8.499 -13.713 1.00 0.00 H new ATOM 0 HG SER A 15 8.436 -7.105 -12.425 1.00 0.00 H new ATOM 239 N VAL A 16 6.120 -9.765 -10.641 1.00 0.00 N ATOM 240 CA VAL A 16 4.866 -9.655 -9.905 1.00 0.00 C ATOM 241 C VAL A 16 4.479 -8.195 -9.694 1.00 0.00 C ATOM 242 O VAL A 16 5.340 -7.330 -9.529 1.00 0.00 O ATOM 243 CB VAL A 16 4.955 -10.354 -8.536 1.00 0.00 C ATOM 244 CG1 VAL A 16 5.051 -9.328 -7.417 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.759 -11.272 -8.328 1.00 0.00 C ATOM 0 H VAL A 16 6.946 -9.486 -10.111 1.00 0.00 H new ATOM 0 HA VAL A 16 4.102 -10.147 -10.507 1.00 0.00 H new ATOM 0 HB VAL A 16 5.859 -10.962 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.113 -9.841 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.942 -8.716 -7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.167 -8.690 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.838 -11.758 -7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.840 -10.687 -8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.741 -12.029 -9.112 1.00 0.00 H new ATOM 255 N THR A 17 3.177 -7.927 -9.698 1.00 0.00 N ATOM 256 CA THR A 17 2.675 -6.572 -9.507 1.00 0.00 C ATOM 257 C THR A 17 1.262 -6.584 -8.936 1.00 0.00 C ATOM 258 O THR A 17 0.369 -5.905 -9.444 1.00 0.00 O ATOM 259 CB THR A 17 2.676 -5.781 -10.829 1.00 0.00 C ATOM 260 OG1 THR A 17 2.157 -6.595 -11.887 1.00 0.00 O ATOM 261 CG2 THR A 17 4.081 -5.317 -11.182 1.00 0.00 C ATOM 0 H THR A 17 2.451 -8.631 -9.831 1.00 0.00 H new ATOM 0 HA THR A 17 3.345 -6.084 -8.799 1.00 0.00 H new ATOM 0 HB THR A 17 2.042 -4.903 -10.702 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.159 -6.085 -12.724 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.056 -4.761 -12.119 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.462 -4.674 -10.389 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.733 -6.183 -11.292 1.00 0.00 H new ATOM 269 N THR A 18 1.064 -7.361 -7.875 1.00 0.00 N ATOM 270 CA THR A 18 -0.241 -7.462 -7.234 1.00 0.00 C ATOM 271 C THR A 18 -0.122 -7.331 -5.720 1.00 0.00 C ATOM 272 O THR A 18 -0.972 -6.720 -5.071 1.00 0.00 O ATOM 273 CB THR A 18 -0.929 -8.798 -7.570 1.00 0.00 C ATOM 274 OG1 THR A 18 -1.937 -9.089 -6.595 1.00 0.00 O ATOM 275 CG2 THR A 18 0.083 -9.933 -7.614 1.00 0.00 C ATOM 0 H THR A 18 1.792 -7.930 -7.442 1.00 0.00 H new ATOM 0 HA THR A 18 -0.847 -6.642 -7.620 1.00 0.00 H new ATOM 0 HB THR A 18 -1.390 -8.706 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.371 -9.939 -6.817 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.427 -10.866 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.832 -9.723 -8.377 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.570 -10.024 -6.643 1.00 0.00 H new ATOM 283 N LEU A 19 0.938 -7.906 -5.163 1.00 0.00 N ATOM 284 CA LEU A 19 1.169 -7.853 -3.723 1.00 0.00 C ATOM 285 C LEU A 19 2.568 -7.331 -3.416 1.00 0.00 C ATOM 286 O LEU A 19 3.269 -6.843 -4.302 1.00 0.00 O ATOM 287 CB LEU A 19 0.981 -9.239 -3.105 1.00 0.00 C ATOM 288 CG LEU A 19 2.039 -10.283 -3.464 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.227 -11.268 -2.321 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.656 -11.013 -4.743 1.00 0.00 C ATOM 0 H LEU A 19 1.651 -8.414 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 19 0.442 -7.167 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.959 -9.131 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.006 -9.620 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 19 2.986 -9.770 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.984 -12.003 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.548 -10.732 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.284 -11.776 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.420 -11.752 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.698 -11.514 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.575 -10.297 -5.560 1.00 0.00 H new ATOM 302 N SER A 20 2.970 -7.439 -2.153 1.00 0.00 N ATOM 303 CA SER A 20 4.286 -6.977 -1.728 1.00 0.00 C ATOM 304 C SER A 20 5.092 -8.120 -1.118 1.00 0.00 C ATOM 305 O SER A 20 4.529 -9.090 -0.612 1.00 0.00 O ATOM 306 CB SER A 20 4.147 -5.839 -0.715 1.00 0.00 C ATOM 307 OG SER A 20 2.786 -5.503 -0.508 1.00 0.00 O ATOM 0 H SER A 20 2.403 -7.842 -1.407 1.00 0.00 H new ATOM 0 HA SER A 20 4.816 -6.610 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.600 -6.133 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.691 -4.964 -1.070 1.00 0.00 H new ATOM 0 HG SER A 20 2.725 -4.775 0.145 1.00 0.00 H new ATOM 313 N GLU A 21 6.415 -7.997 -1.171 1.00 0.00 N ATOM 314 CA GLU A 21 7.299 -9.020 -0.626 1.00 0.00 C ATOM 315 C GLU A 21 7.034 -9.231 0.862 1.00 0.00 C ATOM 316 O GLU A 21 7.337 -10.290 1.413 1.00 0.00 O ATOM 317 CB GLU A 21 8.763 -8.630 -0.843 1.00 0.00 C ATOM 318 CG GLU A 21 9.287 -7.637 0.181 1.00 0.00 C ATOM 319 CD GLU A 21 10.732 -7.250 -0.067 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.380 -7.897 -0.917 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.214 -6.303 0.587 1.00 0.00 O ATOM 0 H GLU A 21 6.897 -7.200 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 21 7.098 -9.954 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.378 -9.529 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.872 -8.203 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.667 -6.741 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.196 -8.067 1.178 1.00 0.00 H new ATOM 328 N ASP A 22 6.466 -8.217 1.506 1.00 0.00 N ATOM 329 CA ASP A 22 6.159 -8.291 2.929 1.00 0.00 C ATOM 330 C ASP A 22 4.802 -8.948 3.159 1.00 0.00 C ATOM 331 O ASP A 22 4.306 -8.995 4.285 1.00 0.00 O ATOM 332 CB ASP A 22 6.173 -6.893 3.549 1.00 0.00 C ATOM 333 CG ASP A 22 6.567 -6.912 5.013 1.00 0.00 C ATOM 334 OD1 ASP A 22 7.774 -7.053 5.302 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.668 -6.785 5.870 1.00 0.00 O ATOM 0 H ASP A 22 6.209 -7.334 1.065 1.00 0.00 H new ATOM 0 HA ASP A 22 6.924 -8.901 3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.869 -6.261 2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.185 -6.444 3.448 1.00 0.00 H new ATOM 340 N ASP A 23 4.206 -9.454 2.085 1.00 0.00 N ATOM 341 CA ASP A 23 2.906 -10.109 2.169 1.00 0.00 C ATOM 342 C ASP A 23 3.053 -11.550 2.648 1.00 0.00 C ATOM 343 O ASP A 23 2.741 -11.869 3.796 1.00 0.00 O ATOM 344 CB ASP A 23 2.208 -10.081 0.808 1.00 0.00 C ATOM 345 CG ASP A 23 0.714 -10.316 0.919 1.00 0.00 C ATOM 346 OD1 ASP A 23 0.306 -11.158 1.747 1.00 0.00 O ATOM 347 OD2 ASP A 23 -0.046 -9.659 0.178 1.00 0.00 O ATOM 0 H ASP A 23 4.603 -9.423 1.146 1.00 0.00 H new ATOM 0 HA ASP A 23 2.299 -9.564 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.387 -9.117 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.646 -10.842 0.163 1.00 0.00 H new ATOM 352 N THR A 24 3.529 -12.418 1.761 1.00 0.00 N ATOM 353 CA THR A 24 3.716 -13.825 2.093 1.00 0.00 C ATOM 354 C THR A 24 4.181 -14.619 0.878 1.00 0.00 C ATOM 355 O THR A 24 3.828 -14.300 -0.257 1.00 0.00 O ATOM 356 CB THR A 24 2.417 -14.451 2.636 1.00 0.00 C ATOM 357 OG1 THR A 24 1.303 -13.603 2.338 1.00 0.00 O ATOM 358 CG2 THR A 24 2.508 -14.668 4.139 1.00 0.00 C ATOM 0 H THR A 24 3.792 -12.171 0.807 1.00 0.00 H new ATOM 0 HA THR A 24 4.482 -13.869 2.867 1.00 0.00 H new ATOM 0 HB THR A 24 2.276 -15.418 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.481 -14.008 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.580 -15.111 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.339 -15.338 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.671 -13.711 4.636 1.00 0.00 H new ATOM 366 N VAL A 25 4.975 -15.657 1.123 1.00 0.00 N ATOM 367 CA VAL A 25 5.487 -16.499 0.049 1.00 0.00 C ATOM 368 C VAL A 25 4.349 -17.110 -0.760 1.00 0.00 C ATOM 369 O VAL A 25 4.304 -16.981 -1.985 1.00 0.00 O ATOM 370 CB VAL A 25 6.377 -17.629 0.597 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.204 -18.894 -0.230 1.00 0.00 C ATOM 372 CG2 VAL A 25 7.835 -17.194 0.623 1.00 0.00 C ATOM 0 H VAL A 25 5.277 -15.935 2.057 1.00 0.00 H new ATOM 0 HA VAL A 25 6.085 -15.857 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 25 6.069 -17.847 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.841 -19.682 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.163 -19.214 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.484 -18.694 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.450 -18.005 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.159 -16.947 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.942 -16.318 1.262 1.00 0.00 H new ATOM 382 N LEU A 26 3.430 -17.775 -0.069 1.00 0.00 N ATOM 383 CA LEU A 26 2.289 -18.407 -0.723 1.00 0.00 C ATOM 384 C LEU A 26 1.461 -17.378 -1.486 1.00 0.00 C ATOM 385 O LEU A 26 0.724 -17.722 -2.411 1.00 0.00 O ATOM 386 CB LEU A 26 1.414 -19.119 0.310 1.00 0.00 C ATOM 387 CG LEU A 26 0.023 -18.524 0.535 1.00 0.00 C ATOM 388 CD1 LEU A 26 -0.951 -19.032 -0.516 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.478 -18.855 1.934 1.00 0.00 C ATOM 0 H LEU A 26 3.452 -17.891 0.944 1.00 0.00 H new ATOM 0 HA LEU A 26 2.669 -19.140 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.297 -20.159 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.943 -19.125 1.263 1.00 0.00 H new ATOM 0 HG LEU A 26 0.093 -17.440 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.935 -18.598 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.600 -18.744 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.017 -20.118 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.469 -18.424 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.532 -19.937 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.208 -18.441 2.673 1.00 0.00 H new ATOM 401 N ASP A 27 1.588 -16.115 -1.094 1.00 0.00 N ATOM 402 CA ASP A 27 0.853 -15.036 -1.743 1.00 0.00 C ATOM 403 C ASP A 27 1.486 -14.677 -3.084 1.00 0.00 C ATOM 404 O ASP A 27 0.792 -14.531 -4.091 1.00 0.00 O ATOM 405 CB ASP A 27 0.812 -13.803 -0.839 1.00 0.00 C ATOM 406 CG ASP A 27 -0.243 -12.804 -1.271 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.379 -12.574 -2.490 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.933 -12.250 -0.388 1.00 0.00 O ATOM 0 H ASP A 27 2.193 -15.813 -0.330 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.166 -15.380 -1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.615 -14.114 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.789 -13.320 -0.843 1.00 0.00 H new ATOM 413 N LEU A 28 2.807 -14.536 -3.090 1.00 0.00 N ATOM 414 CA LEU A 28 3.534 -14.193 -4.307 1.00 0.00 C ATOM 415 C LEU A 28 3.783 -15.433 -5.160 1.00 0.00 C ATOM 416 O LEU A 28 3.468 -15.455 -6.350 1.00 0.00 O ATOM 417 CB LEU A 28 4.865 -13.524 -3.959 1.00 0.00 C ATOM 418 CG LEU A 28 5.434 -12.573 -5.012 1.00 0.00 C ATOM 419 CD1 LEU A 28 6.129 -11.394 -4.347 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.396 -13.310 -5.933 1.00 0.00 C ATOM 0 H LEU A 28 3.396 -14.654 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 28 2.923 -13.496 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.738 -12.970 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.602 -14.304 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 28 4.608 -12.191 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.528 -10.728 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.413 -10.851 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.944 -11.758 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.791 -12.617 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.218 -13.721 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.869 -14.120 -6.437 1.00 0.00 H new ATOM 432 N LYS A 29 4.349 -16.465 -4.544 1.00 0.00 N ATOM 433 CA LYS A 29 4.637 -17.711 -5.244 1.00 0.00 C ATOM 434 C LYS A 29 3.416 -18.193 -6.021 1.00 0.00 C ATOM 435 O LYS A 29 3.525 -18.587 -7.182 1.00 0.00 O ATOM 436 CB LYS A 29 5.080 -18.787 -4.251 1.00 0.00 C ATOM 437 CG LYS A 29 6.587 -18.868 -4.073 1.00 0.00 C ATOM 438 CD LYS A 29 7.134 -17.629 -3.384 1.00 0.00 C ATOM 439 CE LYS A 29 7.473 -16.538 -4.388 1.00 0.00 C ATOM 440 NZ LYS A 29 8.747 -15.846 -4.045 1.00 0.00 N ATOM 0 H LYS A 29 4.618 -16.463 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 29 5.445 -17.523 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.619 -18.589 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.710 -19.755 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.838 -19.752 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.064 -18.985 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.400 -17.254 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.026 -17.891 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.553 -16.973 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.662 -15.811 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.557 -14.841 -3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.162 -16.282 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.413 -15.931 -4.839 1.00 0.00 H new ATOM 454 N GLN A 30 2.256 -18.159 -5.373 1.00 0.00 N ATOM 455 CA GLN A 30 1.016 -18.592 -6.006 1.00 0.00 C ATOM 456 C GLN A 30 0.757 -17.810 -7.289 1.00 0.00 C ATOM 457 O GLN A 30 0.242 -18.354 -8.266 1.00 0.00 O ATOM 458 CB GLN A 30 -0.160 -18.417 -5.043 1.00 0.00 C ATOM 459 CG GLN A 30 -0.564 -16.967 -4.832 1.00 0.00 C ATOM 460 CD GLN A 30 -1.719 -16.549 -5.720 1.00 0.00 C ATOM 461 OE1 GLN A 30 -1.595 -15.627 -6.527 1.00 0.00 O ATOM 462 NE2 GLN A 30 -2.853 -17.226 -5.576 1.00 0.00 N ATOM 0 H GLN A 30 2.149 -17.837 -4.411 1.00 0.00 H new ATOM 0 HA GLN A 30 1.116 -19.647 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.017 -18.972 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.101 -18.856 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.841 -16.819 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.293 -16.323 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.912 -17.983 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.665 -16.989 -6.146 1.00 0.00 H new ATOM 471 N PHE A 31 1.118 -16.531 -7.281 1.00 0.00 N ATOM 472 CA PHE A 31 0.924 -15.674 -8.444 1.00 0.00 C ATOM 473 C PHE A 31 1.839 -16.096 -9.590 1.00 0.00 C ATOM 474 O PHE A 31 1.375 -16.411 -10.687 1.00 0.00 O ATOM 475 CB PHE A 31 1.189 -14.212 -8.077 1.00 0.00 C ATOM 476 CG PHE A 31 0.671 -13.236 -9.094 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.658 -12.843 -9.084 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.513 -12.710 -10.061 1.00 0.00 C ATOM 479 CE1 PHE A 31 -1.137 -11.945 -10.019 1.00 0.00 C ATOM 480 CE2 PHE A 31 1.040 -11.811 -10.998 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.287 -11.428 -10.977 1.00 0.00 C ATOM 0 H PHE A 31 1.547 -16.065 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.110 -15.778 -8.771 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.728 -13.998 -7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.262 -14.064 -7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.327 -13.243 -8.337 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.551 -13.006 -10.083 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.175 -11.648 -10.001 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.707 -11.408 -11.746 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.659 -10.726 -11.708 1.00 0.00 H new ATOM 491 N LEU A 32 3.141 -16.101 -9.328 1.00 0.00 N ATOM 492 CA LEU A 32 4.123 -16.484 -10.336 1.00 0.00 C ATOM 493 C LEU A 32 3.922 -17.932 -10.770 1.00 0.00 C ATOM 494 O LEU A 32 4.248 -18.305 -11.897 1.00 0.00 O ATOM 495 CB LEU A 32 5.541 -16.295 -9.794 1.00 0.00 C ATOM 496 CG LEU A 32 5.818 -16.898 -8.416 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.350 -18.316 -8.552 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.800 -16.030 -7.642 1.00 0.00 C ATOM 0 H LEU A 32 3.541 -15.844 -8.426 1.00 0.00 H new ATOM 0 HA LEU A 32 3.984 -15.841 -11.205 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.242 -16.730 -10.507 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.753 -15.227 -9.750 1.00 0.00 H new ATOM 0 HG LEU A 32 4.881 -16.935 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.542 -18.729 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.613 -18.933 -9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.277 -18.303 -9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.986 -16.474 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.738 -15.961 -8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.381 -15.032 -7.514 1.00 0.00 H new ATOM 510 N LYS A 33 3.380 -18.744 -9.869 1.00 0.00 N ATOM 511 CA LYS A 33 3.131 -20.152 -10.159 1.00 0.00 C ATOM 512 C LYS A 33 2.183 -20.304 -11.344 1.00 0.00 C ATOM 513 O LYS A 33 2.302 -21.243 -12.132 1.00 0.00 O ATOM 514 CB LYS A 33 2.543 -20.850 -8.930 1.00 0.00 C ATOM 515 CG LYS A 33 1.269 -21.624 -9.221 1.00 0.00 C ATOM 516 CD LYS A 33 1.564 -22.938 -9.924 1.00 0.00 C ATOM 517 CE LYS A 33 0.321 -23.501 -10.597 1.00 0.00 C ATOM 518 NZ LYS A 33 0.271 -23.156 -12.045 1.00 0.00 N ATOM 0 H LYS A 33 3.104 -18.452 -8.931 1.00 0.00 H new ATOM 0 HA LYS A 33 4.082 -20.618 -10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.287 -21.533 -8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.337 -20.104 -8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.740 -21.820 -8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.608 -21.019 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.345 -22.786 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.947 -23.660 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.304 -24.585 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.568 -23.113 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.613 -22.648 -12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.082 -22.552 -12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.308 -24.028 -12.611 1.00 0.00 H new ATOM 532 N THR A 34 1.242 -19.373 -11.467 1.00 0.00 N ATOM 533 CA THR A 34 0.274 -19.403 -12.556 1.00 0.00 C ATOM 534 C THR A 34 0.948 -19.136 -13.897 1.00 0.00 C ATOM 535 O THR A 34 0.456 -19.557 -14.945 1.00 0.00 O ATOM 536 CB THR A 34 -0.846 -18.368 -12.342 1.00 0.00 C ATOM 537 OG1 THR A 34 -2.035 -18.784 -13.022 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.420 -16.997 -12.847 1.00 0.00 C ATOM 0 H THR A 34 1.130 -18.588 -10.825 1.00 0.00 H new ATOM 0 HA THR A 34 -0.162 -20.402 -12.564 1.00 0.00 H new ATOM 0 HB THR A 34 -1.046 -18.298 -11.273 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.742 -18.121 -12.879 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.227 -16.283 -12.685 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.468 -16.670 -12.306 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.195 -17.055 -13.912 1.00 0.00 H new ATOM 546 N LEU A 35 2.075 -18.435 -13.859 1.00 0.00 N ATOM 547 CA LEU A 35 2.818 -18.113 -15.072 1.00 0.00 C ATOM 548 C LEU A 35 3.935 -19.123 -15.312 1.00 0.00 C ATOM 549 O LEU A 35 4.431 -19.264 -16.430 1.00 0.00 O ATOM 550 CB LEU A 35 3.402 -16.702 -14.977 1.00 0.00 C ATOM 551 CG LEU A 35 2.407 -15.584 -14.663 1.00 0.00 C ATOM 552 CD1 LEU A 35 3.111 -14.236 -14.634 1.00 0.00 C ATOM 553 CD2 LEU A 35 1.276 -15.575 -15.681 1.00 0.00 C ATOM 0 H LEU A 35 2.495 -18.078 -13.001 1.00 0.00 H new ATOM 0 HA LEU A 35 2.127 -18.158 -15.914 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.174 -16.701 -14.207 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.893 -16.469 -15.922 1.00 0.00 H new ATOM 0 HG LEU A 35 1.980 -15.770 -13.677 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.387 -13.452 -14.409 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.885 -14.246 -13.867 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.566 -14.042 -15.605 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.578 -14.773 -15.442 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.685 -15.414 -16.678 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.754 -16.531 -15.653 1.00 0.00 H new ATOM 565 N THR A 36 4.328 -19.826 -14.254 1.00 0.00 N ATOM 566 CA THR A 36 5.386 -20.823 -14.349 1.00 0.00 C ATOM 567 C THR A 36 4.808 -22.233 -14.411 1.00 0.00 C ATOM 568 O THR A 36 5.457 -23.159 -14.897 1.00 0.00 O ATOM 569 CB THR A 36 6.354 -20.730 -13.155 1.00 0.00 C ATOM 570 OG1 THR A 36 5.698 -21.161 -11.957 1.00 0.00 O ATOM 571 CG2 THR A 36 6.860 -19.307 -12.978 1.00 0.00 C ATOM 0 H THR A 36 3.929 -19.723 -13.321 1.00 0.00 H new ATOM 0 HA THR A 36 5.934 -20.616 -15.268 1.00 0.00 H new ATOM 0 HB THR A 36 7.206 -21.379 -13.356 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.079 -20.688 -11.187 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.542 -19.266 -12.129 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.385 -18.993 -13.880 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.016 -18.641 -12.798 1.00 0.00 H new ATOM 579 N GLY A 37 3.584 -22.388 -13.917 1.00 0.00 N ATOM 580 CA GLY A 37 2.939 -23.689 -13.928 1.00 0.00 C ATOM 581 C GLY A 37 3.300 -24.524 -12.715 1.00 0.00 C ATOM 582 O GLY A 37 2.648 -25.528 -12.428 1.00 0.00 O ATOM 0 H GLY A 37 3.027 -21.637 -13.509 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.858 -23.555 -13.965 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.225 -24.225 -14.833 1.00 0.00 H new ATOM 586 N VAL A 38 4.343 -24.110 -12.002 1.00 0.00 N ATOM 587 CA VAL A 38 4.790 -24.828 -10.815 1.00 0.00 C ATOM 588 C VAL A 38 4.440 -24.060 -9.545 1.00 0.00 C ATOM 589 O VAL A 38 4.629 -22.846 -9.468 1.00 0.00 O ATOM 590 CB VAL A 38 6.309 -25.077 -10.848 1.00 0.00 C ATOM 591 CG1 VAL A 38 7.053 -23.797 -11.197 1.00 0.00 C ATOM 592 CG2 VAL A 38 6.787 -25.635 -9.516 1.00 0.00 C ATOM 0 H VAL A 38 4.894 -23.281 -12.226 1.00 0.00 H new ATOM 0 HA VAL A 38 4.272 -25.787 -10.812 1.00 0.00 H new ATOM 0 HB VAL A 38 6.521 -25.815 -11.622 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.125 -23.993 -11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.731 -23.445 -12.177 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.836 -23.035 -10.449 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.863 -25.805 -9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.563 -24.923 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.279 -26.577 -9.313 1.00 0.00 H new ATOM 602 N LEU A 39 3.928 -24.776 -8.550 1.00 0.00 N ATOM 603 CA LEU A 39 3.551 -24.163 -7.281 1.00 0.00 C ATOM 604 C LEU A 39 4.661 -24.325 -6.247 1.00 0.00 C ATOM 605 O LEU A 39 5.542 -25.175 -6.374 1.00 0.00 O ATOM 606 CB LEU A 39 2.255 -24.784 -6.756 1.00 0.00 C ATOM 607 CG LEU A 39 2.044 -26.265 -7.074 1.00 0.00 C ATOM 608 CD1 LEU A 39 1.655 -26.448 -8.532 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.298 -27.063 -6.750 1.00 0.00 C ATOM 0 H LEU A 39 3.764 -25.782 -8.597 1.00 0.00 H new ATOM 0 HA LEU A 39 3.392 -23.098 -7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.227 -24.658 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.415 -24.222 -7.164 1.00 0.00 H new ATOM 0 HG LEU A 39 1.229 -26.638 -6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.509 -27.508 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.729 -25.908 -8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.447 -26.059 -9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.130 -28.115 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.131 -26.689 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.532 -26.958 -5.691 1.00 0.00 H new ATOM 621 N PRO A 40 4.618 -23.492 -5.197 1.00 0.00 N ATOM 622 CA PRO A 40 5.610 -23.525 -4.119 1.00 0.00 C ATOM 623 C PRO A 40 5.488 -24.776 -3.256 1.00 0.00 C ATOM 624 O PRO A 40 6.451 -25.195 -2.615 1.00 0.00 O ATOM 625 CB PRO A 40 5.284 -22.275 -3.298 1.00 0.00 C ATOM 626 CG PRO A 40 3.843 -22.012 -3.564 1.00 0.00 C ATOM 627 CD PRO A 40 3.596 -22.453 -4.981 1.00 0.00 C ATOM 0 HA PRO A 40 6.629 -23.545 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.467 -22.440 -2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.903 -21.430 -3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.211 -22.563 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.610 -20.955 -3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.588 -22.848 -5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.707 -21.628 -5.684 1.00 0.00 H new ATOM 635 N GLU A 41 4.297 -25.367 -3.244 1.00 0.00 N ATOM 636 CA GLU A 41 4.050 -26.570 -2.459 1.00 0.00 C ATOM 637 C GLU A 41 4.911 -27.729 -2.953 1.00 0.00 C ATOM 638 O GLU A 41 5.100 -28.720 -2.248 1.00 0.00 O ATOM 639 CB GLU A 41 2.570 -26.955 -2.526 1.00 0.00 C ATOM 640 CG GLU A 41 2.118 -27.396 -3.908 1.00 0.00 C ATOM 641 CD GLU A 41 0.845 -28.219 -3.871 1.00 0.00 C ATOM 642 OE1 GLU A 41 0.943 -29.457 -3.739 1.00 0.00 O ATOM 643 OE2 GLU A 41 -0.249 -27.625 -3.974 1.00 0.00 O ATOM 0 H GLU A 41 3.489 -25.032 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 41 4.316 -26.358 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.380 -27.761 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.967 -26.104 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.959 -26.516 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.910 -27.980 -4.376 1.00 0.00 H new ATOM 650 N ARG A 42 5.429 -27.596 -4.169 1.00 0.00 N ATOM 651 CA ARG A 42 6.269 -28.632 -4.759 1.00 0.00 C ATOM 652 C ARG A 42 7.743 -28.244 -4.688 1.00 0.00 C ATOM 653 O ARG A 42 8.601 -29.079 -4.407 1.00 0.00 O ATOM 654 CB ARG A 42 5.865 -28.878 -6.214 1.00 0.00 C ATOM 655 CG ARG A 42 4.728 -29.874 -6.370 1.00 0.00 C ATOM 656 CD ARG A 42 5.238 -31.307 -6.376 1.00 0.00 C ATOM 657 NE ARG A 42 5.414 -31.830 -5.024 1.00 0.00 N ATOM 658 CZ ARG A 42 6.149 -32.900 -4.740 1.00 0.00 C ATOM 659 NH1 ARG A 42 6.773 -33.556 -5.709 1.00 0.00 N ATOM 660 NH2 ARG A 42 6.261 -33.315 -3.485 1.00 0.00 N ATOM 0 H ARG A 42 5.282 -26.782 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 42 6.125 -29.550 -4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.571 -27.931 -6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.732 -29.240 -6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.015 -29.744 -5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.192 -29.674 -7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.537 -31.939 -6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.188 -31.352 -6.909 1.00 0.00 H new ATOM 0 HE ARG A 42 4.947 -31.348 -4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.689 -33.240 -6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.337 -34.377 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.783 -32.813 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.825 -34.136 -3.268 1.00 0.00 H new ATOM 674 N GLN A 43 8.027 -26.971 -4.945 1.00 0.00 N ATOM 675 CA GLN A 43 9.397 -26.473 -4.911 1.00 0.00 C ATOM 676 C GLN A 43 9.472 -25.134 -4.184 1.00 0.00 C ATOM 677 O GLN A 43 8.451 -24.577 -3.779 1.00 0.00 O ATOM 678 CB GLN A 43 9.944 -26.326 -6.332 1.00 0.00 C ATOM 679 CG GLN A 43 8.909 -25.844 -7.335 1.00 0.00 C ATOM 680 CD GLN A 43 9.441 -24.753 -8.243 1.00 0.00 C ATOM 681 OE1 GLN A 43 9.587 -23.550 -7.701 1.00 0.00 O flip ATOM 682 NE2 GLN A 43 9.717 -24.988 -9.420 1.00 0.00 N flip ATOM 0 H GLN A 43 7.327 -26.267 -5.179 1.00 0.00 H new ATOM 0 HA GLN A 43 10.006 -27.196 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.780 -25.626 -6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.338 -27.287 -6.662 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.577 -26.686 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.035 -25.472 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.590 -25.928 -9.796 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.073 -24.243 -10.019 1.00 0.00 H new ATOM 691 N LYS A 44 10.687 -24.622 -4.021 1.00 0.00 N ATOM 692 CA LYS A 44 10.896 -23.348 -3.343 1.00 0.00 C ATOM 693 C LYS A 44 11.808 -22.440 -4.162 1.00 0.00 C ATOM 694 O LYS A 44 12.637 -22.914 -4.940 1.00 0.00 O ATOM 695 CB LYS A 44 11.500 -23.578 -1.956 1.00 0.00 C ATOM 696 CG LYS A 44 12.854 -24.265 -1.988 1.00 0.00 C ATOM 697 CD LYS A 44 12.787 -25.659 -1.385 1.00 0.00 C ATOM 698 CE LYS A 44 14.114 -26.390 -1.521 1.00 0.00 C ATOM 699 NZ LYS A 44 14.039 -27.495 -2.516 1.00 0.00 N ATOM 0 H LYS A 44 11.543 -25.070 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 44 9.928 -22.859 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.601 -22.618 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.811 -24.180 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.206 -24.330 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.580 -23.665 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.516 -25.588 -0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.002 -26.233 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.889 -25.684 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.407 -26.793 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.963 -27.968 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.318 -28.182 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.784 -27.107 -3.447 1.00 0.00 H new ATOM 713 N LEU A 45 11.651 -21.133 -3.980 1.00 0.00 N ATOM 714 CA LEU A 45 12.462 -20.158 -4.701 1.00 0.00 C ATOM 715 C LEU A 45 13.722 -19.809 -3.914 1.00 0.00 C ATOM 716 O LEU A 45 13.675 -19.623 -2.698 1.00 0.00 O ATOM 717 CB LEU A 45 11.649 -18.891 -4.973 1.00 0.00 C ATOM 718 CG LEU A 45 11.010 -18.789 -6.358 1.00 0.00 C ATOM 719 CD1 LEU A 45 9.755 -17.931 -6.305 1.00 0.00 C ATOM 720 CD2 LEU A 45 12.003 -18.222 -7.363 1.00 0.00 C ATOM 0 H LEU A 45 10.970 -20.724 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 45 12.761 -20.602 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.860 -18.822 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.300 -18.028 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 45 10.727 -19.791 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.314 -17.870 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.038 -18.378 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.013 -16.930 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.531 -18.156 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.316 -17.228 -7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.874 -18.875 -7.422 1.00 0.00 H new ATOM 732 N LEU A 46 14.846 -19.719 -4.617 1.00 0.00 N ATOM 733 CA LEU A 46 16.118 -19.390 -3.985 1.00 0.00 C ATOM 734 C LEU A 46 15.949 -18.255 -2.979 1.00 0.00 C ATOM 735 O LEU A 46 15.196 -17.312 -3.213 1.00 0.00 O ATOM 736 CB LEU A 46 17.150 -18.998 -5.044 1.00 0.00 C ATOM 737 CG LEU A 46 18.279 -20.000 -5.284 1.00 0.00 C ATOM 738 CD1 LEU A 46 19.199 -19.512 -6.393 1.00 0.00 C ATOM 739 CD2 LEU A 46 19.065 -20.236 -4.002 1.00 0.00 C ATOM 0 H LEU A 46 14.902 -19.869 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 46 16.470 -20.274 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.629 -18.835 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.593 -18.045 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 46 17.838 -20.947 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.997 -20.238 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.628 -19.395 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.632 -18.552 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.865 -20.952 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.495 -19.294 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.399 -20.631 -3.235 1.00 0.00 H new ATOM 751 N GLY A 47 16.658 -18.354 -1.858 1.00 0.00 N ATOM 752 CA GLY A 47 16.574 -17.329 -0.835 1.00 0.00 C ATOM 753 C GLY A 47 17.226 -17.754 0.466 1.00 0.00 C ATOM 754 O GLY A 47 18.429 -17.572 0.655 1.00 0.00 O ATOM 0 H GLY A 47 17.289 -19.126 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.052 -16.419 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.527 -17.088 -0.651 1.00 0.00 H new ATOM 758 N LEU A 48 16.430 -18.320 1.367 1.00 0.00 N ATOM 759 CA LEU A 48 16.936 -18.771 2.659 1.00 0.00 C ATOM 760 C LEU A 48 15.893 -19.609 3.390 1.00 0.00 C ATOM 761 O LEU A 48 14.741 -19.696 2.964 1.00 0.00 O ATOM 762 CB LEU A 48 17.337 -17.571 3.519 1.00 0.00 C ATOM 763 CG LEU A 48 18.576 -17.758 4.396 1.00 0.00 C ATOM 764 CD1 LEU A 48 19.792 -18.079 3.541 1.00 0.00 C ATOM 765 CD2 LEU A 48 18.826 -16.515 5.237 1.00 0.00 C ATOM 0 H LEU A 48 15.432 -18.477 1.227 1.00 0.00 H new ATOM 0 HA LEU A 48 17.814 -19.392 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.507 -16.719 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.496 -17.314 4.163 1.00 0.00 H new ATOM 0 HG LEU A 48 18.399 -18.598 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.664 -18.209 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.612 -18.998 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.973 -17.261 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.711 -16.666 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 48 18.982 -15.658 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.964 -16.330 5.878 1.00 0.00 H new ATOM 777 N LYS A 49 16.302 -20.223 4.495 1.00 0.00 N ATOM 778 CA LYS A 49 15.403 -21.051 5.289 1.00 0.00 C ATOM 779 C LYS A 49 15.265 -20.502 6.706 1.00 0.00 C ATOM 780 O LYS A 49 16.250 -20.095 7.323 1.00 0.00 O ATOM 781 CB LYS A 49 15.914 -22.493 5.338 1.00 0.00 C ATOM 782 CG LYS A 49 16.540 -22.960 4.035 1.00 0.00 C ATOM 783 CD LYS A 49 16.509 -24.475 3.913 1.00 0.00 C ATOM 784 CE LYS A 49 17.728 -25.111 4.564 1.00 0.00 C ATOM 785 NZ LYS A 49 18.912 -25.092 3.662 1.00 0.00 N ATOM 0 H LYS A 49 17.252 -20.162 4.861 1.00 0.00 H new ATOM 0 HA LYS A 49 14.422 -21.035 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.650 -22.582 6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.086 -23.155 5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.007 -22.515 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.571 -22.611 3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.603 -24.860 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.469 -24.756 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.965 -24.580 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.497 -26.140 4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.721 -25.534 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.695 -25.620 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.148 -24.109 3.420 1.00 0.00 H new ATOM 799 N VAL A 50 14.038 -20.494 7.216 1.00 0.00 N ATOM 800 CA VAL A 50 13.772 -19.998 8.561 1.00 0.00 C ATOM 801 C VAL A 50 13.273 -21.114 9.470 1.00 0.00 C ATOM 802 O VAL A 50 12.429 -21.921 9.077 1.00 0.00 O ATOM 803 CB VAL A 50 12.733 -18.861 8.544 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.383 -19.377 8.070 1.00 0.00 C ATOM 805 CG2 VAL A 50 12.617 -18.226 9.921 1.00 0.00 C ATOM 0 H VAL A 50 13.212 -20.826 6.718 1.00 0.00 H new ATOM 0 HA VAL A 50 14.715 -19.613 8.949 1.00 0.00 H new ATOM 0 HB VAL A 50 13.068 -18.096 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.662 -18.559 8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.481 -19.781 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.037 -20.162 8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.879 -17.425 9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.305 -18.980 10.644 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.584 -17.818 10.216 1.00 0.00 H new ATOM 815 N LYS A 51 13.798 -21.156 10.690 1.00 0.00 N ATOM 816 CA LYS A 51 13.405 -22.173 11.658 1.00 0.00 C ATOM 817 C LYS A 51 13.726 -23.571 11.140 1.00 0.00 C ATOM 818 O LYS A 51 13.176 -24.562 11.618 1.00 0.00 O ATOM 819 CB LYS A 51 11.910 -22.062 11.966 1.00 0.00 C ATOM 820 CG LYS A 51 11.444 -20.638 12.216 1.00 0.00 C ATOM 821 CD LYS A 51 10.458 -20.568 13.369 1.00 0.00 C ATOM 822 CE LYS A 51 9.020 -20.649 12.879 1.00 0.00 C ATOM 823 NZ LYS A 51 8.072 -20.948 13.988 1.00 0.00 N ATOM 0 H LYS A 51 14.497 -20.497 11.032 1.00 0.00 H new ATOM 0 HA LYS A 51 13.972 -22.006 12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.344 -22.479 11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.682 -22.669 12.842 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.305 -20.006 12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.978 -20.243 11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.653 -21.384 14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.604 -19.638 13.918 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.743 -19.705 12.409 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.940 -21.422 12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.103 -20.995 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.320 -21.861 14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.130 -20.198 14.706 1.00 0.00 H new ATOM 837 N GLY A 52 14.622 -23.643 10.160 1.00 0.00 N ATOM 838 CA GLY A 52 15.002 -24.925 9.595 1.00 0.00 C ATOM 839 C GLY A 52 14.094 -25.348 8.456 1.00 0.00 C ATOM 840 O GLY A 52 14.339 -26.360 7.800 1.00 0.00 O ATOM 0 H GLY A 52 15.091 -22.837 9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.030 -24.870 9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.978 -25.685 10.376 1.00 0.00 H new ATOM 844 N LYS A 53 13.041 -24.572 8.222 1.00 0.00 N ATOM 845 CA LYS A 53 12.093 -24.871 7.155 1.00 0.00 C ATOM 846 C LYS A 53 12.411 -24.062 5.902 1.00 0.00 C ATOM 847 O LYS A 53 12.840 -22.910 5.969 1.00 0.00 O ATOM 848 CB LYS A 53 10.664 -24.574 7.618 1.00 0.00 C ATOM 849 CG LYS A 53 10.065 -25.669 8.483 1.00 0.00 C ATOM 850 CD LYS A 53 9.194 -26.611 7.668 1.00 0.00 C ATOM 851 CE LYS A 53 9.740 -28.030 7.685 1.00 0.00 C ATOM 852 NZ LYS A 53 8.649 -29.044 7.692 1.00 0.00 N ATOM 0 H LYS A 53 12.823 -23.731 8.757 1.00 0.00 H new ATOM 0 HA LYS A 53 12.178 -25.930 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.659 -23.638 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.031 -24.426 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.865 -26.234 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.471 -25.221 9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.179 -26.606 8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.135 -26.255 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.375 -28.185 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.369 -28.167 8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.062 -29.998 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.058 -28.912 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.064 -28.930 6.840 1.00 0.00 H new ATOM 866 N PRO A 54 12.195 -24.677 4.729 1.00 0.00 N ATOM 867 CA PRO A 54 12.450 -24.031 3.438 1.00 0.00 C ATOM 868 C PRO A 54 11.459 -22.910 3.145 1.00 0.00 C ATOM 869 O PRO A 54 10.673 -22.995 2.202 1.00 0.00 O ATOM 870 CB PRO A 54 12.280 -25.172 2.432 1.00 0.00 C ATOM 871 CG PRO A 54 11.371 -26.140 3.106 1.00 0.00 C ATOM 872 CD PRO A 54 11.684 -26.049 4.574 1.00 0.00 C ATOM 0 HA PRO A 54 13.431 -23.558 3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.852 -24.814 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.238 -25.632 2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.327 -25.894 2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.533 -27.152 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.798 -26.219 5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.425 -26.790 4.874 1.00 0.00 H new ATOM 880 N ALA A 55 11.503 -21.860 3.958 1.00 0.00 N ATOM 881 CA ALA A 55 10.610 -20.721 3.783 1.00 0.00 C ATOM 882 C ALA A 55 9.166 -21.177 3.608 1.00 0.00 C ATOM 883 O ALA A 55 8.686 -21.329 2.485 1.00 0.00 O ATOM 884 CB ALA A 55 11.050 -19.884 2.591 1.00 0.00 C ATOM 0 H ALA A 55 12.147 -21.774 4.744 1.00 0.00 H new ATOM 0 HA ALA A 55 10.663 -20.108 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.374 -19.037 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.064 -19.519 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.028 -20.495 1.689 1.00 0.00 H new ATOM 890 N GLU A 56 8.479 -21.394 4.725 1.00 0.00 N ATOM 891 CA GLU A 56 7.089 -21.834 4.693 1.00 0.00 C ATOM 892 C GLU A 56 6.255 -20.938 3.782 1.00 0.00 C ATOM 893 O GLU A 56 6.712 -19.882 3.346 1.00 0.00 O ATOM 894 CB GLU A 56 6.499 -21.837 6.105 1.00 0.00 C ATOM 895 CG GLU A 56 5.530 -22.980 6.358 1.00 0.00 C ATOM 896 CD GLU A 56 6.148 -24.338 6.087 1.00 0.00 C ATOM 897 OE1 GLU A 56 7.046 -24.745 6.853 1.00 0.00 O ATOM 898 OE2 GLU A 56 5.732 -24.994 5.109 1.00 0.00 O ATOM 0 H GLU A 56 8.862 -21.272 5.663 1.00 0.00 H new ATOM 0 HA GLU A 56 7.065 -22.849 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.312 -21.894 6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.985 -20.891 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.189 -22.940 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.650 -22.852 5.727 1.00 0.00 H new ATOM 905 N ASN A 57 5.029 -21.367 3.500 1.00 0.00 N ATOM 906 CA ASN A 57 4.131 -20.605 2.641 1.00 0.00 C ATOM 907 C ASN A 57 3.712 -19.301 3.313 1.00 0.00 C ATOM 908 O ASN A 57 3.483 -18.292 2.645 1.00 0.00 O ATOM 909 CB ASN A 57 2.893 -21.435 2.297 1.00 0.00 C ATOM 910 CG ASN A 57 3.203 -22.915 2.182 1.00 0.00 C ATOM 911 OD1 ASN A 57 3.810 -23.360 1.208 1.00 0.00 O ATOM 912 ND2 ASN A 57 2.787 -23.686 3.181 1.00 0.00 N ATOM 0 H ASN A 57 4.635 -22.239 3.854 1.00 0.00 H new ATOM 0 HA ASN A 57 4.665 -20.364 1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.133 -21.284 3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.471 -21.081 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.967 -24.690 3.160 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.287 -23.274 3.969 1.00 0.00 H new ATOM 919 N ASP A 58 3.615 -19.329 4.637 1.00 0.00 N ATOM 920 CA ASP A 58 3.225 -18.149 5.401 1.00 0.00 C ATOM 921 C ASP A 58 4.410 -17.207 5.588 1.00 0.00 C ATOM 922 O ASP A 58 4.249 -16.072 6.037 1.00 0.00 O ATOM 923 CB ASP A 58 2.663 -18.560 6.763 1.00 0.00 C ATOM 924 CG ASP A 58 1.905 -17.435 7.439 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.109 -16.759 6.754 1.00 0.00 O ATOM 926 OD2 ASP A 58 2.107 -17.231 8.655 1.00 0.00 O ATOM 0 H ASP A 58 3.801 -20.156 5.204 1.00 0.00 H new ATOM 0 HA ASP A 58 2.451 -17.623 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.000 -19.416 6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.480 -18.883 7.408 1.00 0.00 H new ATOM 931 N VAL A 59 5.601 -17.686 5.242 1.00 0.00 N ATOM 932 CA VAL A 59 6.813 -16.887 5.372 1.00 0.00 C ATOM 933 C VAL A 59 6.857 -15.781 4.325 1.00 0.00 C ATOM 934 O VAL A 59 6.639 -16.025 3.138 1.00 0.00 O ATOM 935 CB VAL A 59 8.076 -17.758 5.237 1.00 0.00 C ATOM 936 CG1 VAL A 59 9.326 -16.890 5.233 1.00 0.00 C ATOM 937 CG2 VAL A 59 8.136 -18.788 6.355 1.00 0.00 C ATOM 0 H VAL A 59 5.752 -18.624 4.870 1.00 0.00 H new ATOM 0 HA VAL A 59 6.793 -16.441 6.366 1.00 0.00 H new ATOM 0 HB VAL A 59 8.029 -18.290 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.208 -17.523 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.284 -16.196 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.382 -16.329 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.035 -19.394 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.159 -18.278 7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.257 -19.430 6.306 1.00 0.00 H new ATOM 947 N LYS A 60 7.142 -14.562 4.771 1.00 0.00 N ATOM 948 CA LYS A 60 7.217 -13.416 3.872 1.00 0.00 C ATOM 949 C LYS A 60 8.378 -13.566 2.895 1.00 0.00 C ATOM 950 O LYS A 60 9.312 -14.332 3.137 1.00 0.00 O ATOM 951 CB LYS A 60 7.375 -12.123 4.675 1.00 0.00 C ATOM 952 CG LYS A 60 6.679 -12.154 6.024 1.00 0.00 C ATOM 953 CD LYS A 60 6.049 -10.813 6.358 1.00 0.00 C ATOM 954 CE LYS A 60 4.561 -10.951 6.643 1.00 0.00 C ATOM 955 NZ LYS A 60 4.017 -9.754 7.343 1.00 0.00 N ATOM 0 H LYS A 60 7.325 -14.342 5.750 1.00 0.00 H new ATOM 0 HA LYS A 60 6.289 -13.371 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.436 -11.928 4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.979 -11.292 4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.910 -12.927 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.397 -12.422 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.548 -10.381 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.199 -10.123 5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.024 -11.099 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.389 -11.838 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.001 -9.887 7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.512 -9.627 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.158 -8.911 6.750 1.00 0.00 H new ATOM 969 N LEU A 61 8.314 -12.830 1.791 1.00 0.00 N ATOM 970 CA LEU A 61 9.362 -12.880 0.777 1.00 0.00 C ATOM 971 C LEU A 61 10.630 -12.191 1.269 1.00 0.00 C ATOM 972 O LEU A 61 11.660 -12.833 1.471 1.00 0.00 O ATOM 973 CB LEU A 61 8.879 -12.221 -0.517 1.00 0.00 C ATOM 974 CG LEU A 61 7.754 -12.943 -1.258 1.00 0.00 C ATOM 975 CD1 LEU A 61 8.067 -14.426 -1.392 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.426 -12.739 -0.543 1.00 0.00 C ATOM 0 H LEU A 61 7.548 -12.192 1.575 1.00 0.00 H new ATOM 0 HA LEU A 61 9.593 -13.927 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.543 -11.211 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.729 -12.126 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 61 7.674 -12.518 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.255 -14.923 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.995 -14.553 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.176 -14.866 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.637 -13.260 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.493 -13.136 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.195 -11.675 -0.501 1.00 0.00 H new ATOM 988 N GLY A 62 10.547 -10.878 1.463 1.00 0.00 N ATOM 989 CA GLY A 62 11.694 -10.124 1.933 1.00 0.00 C ATOM 990 C GLY A 62 12.267 -10.681 3.221 1.00 0.00 C ATOM 991 O GLY A 62 13.370 -10.316 3.627 1.00 0.00 O ATOM 0 H GLY A 62 9.706 -10.324 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.467 -10.127 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.403 -9.085 2.088 1.00 0.00 H new ATOM 995 N ALA A 63 11.516 -11.568 3.866 1.00 0.00 N ATOM 996 CA ALA A 63 11.956 -12.177 5.115 1.00 0.00 C ATOM 997 C ALA A 63 13.253 -12.954 4.919 1.00 0.00 C ATOM 998 O ALA A 63 14.266 -12.661 5.556 1.00 0.00 O ATOM 999 CB ALA A 63 10.871 -13.088 5.668 1.00 0.00 C ATOM 0 H ALA A 63 10.600 -11.881 3.544 1.00 0.00 H new ATOM 0 HA ALA A 63 12.146 -11.379 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.213 -13.536 6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.968 -12.507 5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.654 -13.875 4.946 1.00 0.00 H new ATOM 1005 N LEU A 64 13.216 -13.946 4.037 1.00 0.00 N ATOM 1006 CA LEU A 64 14.389 -14.767 3.758 1.00 0.00 C ATOM 1007 C LEU A 64 14.716 -14.762 2.268 1.00 0.00 C ATOM 1008 O LEU A 64 15.883 -14.786 1.877 1.00 0.00 O ATOM 1009 CB LEU A 64 14.158 -16.201 4.236 1.00 0.00 C ATOM 1010 CG LEU A 64 12.702 -16.604 4.471 1.00 0.00 C ATOM 1011 CD1 LEU A 64 11.955 -16.699 3.149 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.628 -17.925 5.223 1.00 0.00 C ATOM 0 H LEU A 64 12.386 -14.202 3.502 1.00 0.00 H new ATOM 0 HA LEU A 64 15.235 -14.342 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.588 -16.881 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.709 -16.346 5.165 1.00 0.00 H new ATOM 0 HG LEU A 64 12.226 -15.835 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.920 -16.987 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.978 -15.731 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.431 -17.447 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.584 -18.196 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.120 -18.703 4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.126 -17.823 6.187 1.00 0.00 H new ATOM 1024 N LYS A 65 13.677 -14.729 1.440 1.00 0.00 N ATOM 1025 CA LYS A 65 13.851 -14.717 -0.007 1.00 0.00 C ATOM 1026 C LYS A 65 14.877 -13.667 -0.423 1.00 0.00 C ATOM 1027 O LYS A 65 16.058 -13.971 -0.591 1.00 0.00 O ATOM 1028 CB LYS A 65 12.515 -14.443 -0.701 1.00 0.00 C ATOM 1029 CG LYS A 65 11.441 -15.467 -0.378 1.00 0.00 C ATOM 1030 CD LYS A 65 11.721 -16.800 -1.052 1.00 0.00 C ATOM 1031 CE LYS A 65 12.087 -17.872 -0.037 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.888 -19.243 -0.582 1.00 0.00 N ATOM 0 H LYS A 65 12.705 -14.710 1.747 1.00 0.00 H new ATOM 0 HA LYS A 65 14.216 -15.698 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.161 -13.454 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.673 -14.422 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.385 -15.609 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.470 -15.092 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.843 -17.116 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.534 -16.683 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.128 -17.748 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.480 -17.746 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.274 -19.941 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.872 -19.418 -0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.379 -19.328 -1.495 1.00 0.00 H new ATOM 1046 N LEU A 66 14.418 -12.431 -0.586 1.00 0.00 N ATOM 1047 CA LEU A 66 15.296 -11.335 -0.981 1.00 0.00 C ATOM 1048 C LEU A 66 14.499 -10.055 -1.211 1.00 0.00 C ATOM 1049 O LEU A 66 13.301 -9.998 -0.933 1.00 0.00 O ATOM 1050 CB LEU A 66 16.067 -11.704 -2.249 1.00 0.00 C ATOM 1051 CG LEU A 66 15.286 -12.485 -3.306 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.168 -11.630 -3.884 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.216 -12.966 -4.410 1.00 0.00 C ATOM 0 H LEU A 66 13.443 -12.163 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 66 16.004 -11.160 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.438 -10.786 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.939 -12.292 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 66 14.840 -13.357 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.623 -12.202 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.486 -11.335 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.593 -10.739 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.642 -13.520 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.692 -12.108 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.981 -13.615 -3.984 1.00 0.00 H new ATOM 1065 N LYS A 67 15.171 -9.029 -1.723 1.00 0.00 N ATOM 1066 CA LYS A 67 14.526 -7.750 -1.995 1.00 0.00 C ATOM 1067 C LYS A 67 13.453 -7.899 -3.069 1.00 0.00 C ATOM 1068 O LYS A 67 13.380 -8.908 -3.771 1.00 0.00 O ATOM 1069 CB LYS A 67 15.565 -6.716 -2.436 1.00 0.00 C ATOM 1070 CG LYS A 67 15.961 -5.745 -1.338 1.00 0.00 C ATOM 1071 CD LYS A 67 17.065 -6.315 -0.462 1.00 0.00 C ATOM 1072 CE LYS A 67 17.441 -5.355 0.656 1.00 0.00 C ATOM 1073 NZ LYS A 67 17.923 -4.050 0.127 1.00 0.00 N ATOM 0 H LYS A 67 16.163 -9.059 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 67 14.049 -7.408 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.456 -7.236 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.169 -6.153 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.295 -4.808 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.091 -5.514 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.739 -7.263 -0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.943 -6.526 -1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.576 -5.189 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.217 -5.805 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.372 -3.509 0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.615 -4.217 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.119 -3.510 -0.252 1.00 0.00 H new ATOM 1087 N PRO A 68 12.602 -6.872 -3.202 1.00 0.00 N ATOM 1088 CA PRO A 68 11.519 -6.864 -4.190 1.00 0.00 C ATOM 1089 C PRO A 68 12.038 -6.747 -5.619 1.00 0.00 C ATOM 1090 O PRO A 68 11.845 -7.646 -6.435 1.00 0.00 O ATOM 1091 CB PRO A 68 10.703 -5.625 -3.813 1.00 0.00 C ATOM 1092 CG PRO A 68 11.672 -4.731 -3.120 1.00 0.00 C ATOM 1093 CD PRO A 68 12.630 -5.638 -2.399 1.00 0.00 C ATOM 0 HA PRO A 68 10.945 -7.790 -4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.282 -5.144 -4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.868 -5.884 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.197 -4.097 -3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.161 -4.069 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.632 -5.210 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.315 -5.820 -1.372 1.00 0.00 H new ATOM 1101 N ASN A 69 12.699 -5.631 -5.913 1.00 0.00 N ATOM 1102 CA ASN A 69 13.246 -5.396 -7.244 1.00 0.00 C ATOM 1103 C ASN A 69 14.208 -6.512 -7.642 1.00 0.00 C ATOM 1104 O ASN A 69 14.462 -6.736 -8.826 1.00 0.00 O ATOM 1105 CB ASN A 69 13.965 -4.046 -7.292 1.00 0.00 C ATOM 1106 CG ASN A 69 14.927 -3.863 -6.134 1.00 0.00 C ATOM 1107 OD1 ASN A 69 16.079 -4.294 -6.196 1.00 0.00 O ATOM 1108 ND2 ASN A 69 14.458 -3.221 -5.071 1.00 0.00 N ATOM 0 H ASN A 69 12.868 -4.877 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 69 12.418 -5.384 -7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.511 -3.961 -8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.227 -3.244 -7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.059 -3.068 -4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.496 -2.881 -5.064 1.00 0.00 H new ATOM 1115 N THR A 70 14.742 -7.209 -6.643 1.00 0.00 N ATOM 1116 CA THR A 70 15.677 -8.300 -6.888 1.00 0.00 C ATOM 1117 C THR A 70 14.978 -9.486 -7.542 1.00 0.00 C ATOM 1118 O THR A 70 13.794 -9.730 -7.307 1.00 0.00 O ATOM 1119 CB THR A 70 16.345 -8.770 -5.582 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.049 -7.681 -4.973 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.309 -9.916 -5.850 1.00 0.00 C ATOM 0 H THR A 70 14.543 -7.037 -5.658 1.00 0.00 H new ATOM 0 HA THR A 70 16.442 -7.915 -7.562 1.00 0.00 H new ATOM 0 HB THR A 70 15.565 -9.122 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.669 -8.029 -4.299 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.769 -10.231 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.766 -10.754 -6.288 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.084 -9.585 -6.541 1.00 0.00 H new ATOM 1129 N LYS A 71 15.717 -10.223 -8.365 1.00 0.00 N ATOM 1130 CA LYS A 71 15.170 -11.386 -9.053 1.00 0.00 C ATOM 1131 C LYS A 71 15.512 -12.671 -8.306 1.00 0.00 C ATOM 1132 O LYS A 71 16.597 -12.799 -7.738 1.00 0.00 O ATOM 1133 CB LYS A 71 15.707 -11.457 -10.484 1.00 0.00 C ATOM 1134 CG LYS A 71 15.680 -10.123 -11.211 1.00 0.00 C ATOM 1135 CD LYS A 71 17.041 -9.447 -11.185 1.00 0.00 C ATOM 1136 CE LYS A 71 17.280 -8.628 -12.444 1.00 0.00 C ATOM 1137 NZ LYS A 71 18.705 -8.213 -12.574 1.00 0.00 N ATOM 0 H LYS A 71 16.698 -10.035 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 71 14.085 -11.282 -9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.732 -11.828 -10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.119 -12.181 -11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.369 -10.277 -12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.939 -9.470 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.111 -8.800 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.821 -10.201 -11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.991 -9.212 -13.318 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.644 -7.743 -12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.827 -7.657 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.974 -7.634 -11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.310 -9.058 -12.615 1.00 0.00 H new ATOM 1151 N ILE A 72 14.581 -13.619 -8.312 1.00 0.00 N ATOM 1152 CA ILE A 72 14.787 -14.895 -7.637 1.00 0.00 C ATOM 1153 C ILE A 72 14.807 -16.047 -8.635 1.00 0.00 C ATOM 1154 O ILE A 72 14.263 -15.940 -9.734 1.00 0.00 O ATOM 1155 CB ILE A 72 13.691 -15.159 -6.587 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.740 -13.963 -6.499 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.316 -15.447 -5.231 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.733 -14.075 -5.376 1.00 0.00 C ATOM 0 H ILE A 72 13.677 -13.528 -8.776 1.00 0.00 H new ATOM 0 HA ILE A 72 15.753 -14.835 -7.135 1.00 0.00 H new ATOM 0 HB ILE A 72 13.117 -16.033 -6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.325 -13.053 -6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.208 -13.861 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.529 -15.631 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.956 -16.326 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.911 -14.590 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.092 -13.193 -5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.123 -14.967 -5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.257 -14.146 -4.423 1.00 0.00 H new ATOM 1170 N MET A 73 15.437 -17.150 -8.244 1.00 0.00 N ATOM 1171 CA MET A 73 15.525 -18.325 -9.104 1.00 0.00 C ATOM 1172 C MET A 73 14.580 -19.422 -8.625 1.00 0.00 C ATOM 1173 O MET A 73 14.419 -19.634 -7.423 1.00 0.00 O ATOM 1174 CB MET A 73 16.961 -18.852 -9.137 1.00 0.00 C ATOM 1175 CG MET A 73 17.809 -18.238 -10.239 1.00 0.00 C ATOM 1176 SD MET A 73 19.393 -19.074 -10.444 1.00 0.00 S ATOM 1177 CE MET A 73 20.013 -18.267 -11.918 1.00 0.00 C ATOM 0 H MET A 73 15.894 -17.255 -7.338 1.00 0.00 H new ATOM 0 HA MET A 73 15.230 -18.030 -10.111 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.433 -18.656 -8.174 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.939 -19.934 -9.267 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.259 -18.275 -11.179 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.984 -17.186 -10.014 1.00 0.00 H new ATOM 0 HE1 MET A 73 20.990 -18.677 -12.174 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.321 -18.435 -12.743 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.106 -17.196 -11.735 1.00 0.00 H new ATOM 1187 N MET A 74 13.956 -20.115 -9.572 1.00 0.00 N ATOM 1188 CA MET A 74 13.027 -21.191 -9.245 1.00 0.00 C ATOM 1189 C MET A 74 13.688 -22.553 -9.427 1.00 0.00 C ATOM 1190 O MET A 74 14.195 -22.869 -10.503 1.00 0.00 O ATOM 1191 CB MET A 74 11.776 -21.096 -10.121 1.00 0.00 C ATOM 1192 CG MET A 74 10.624 -20.360 -9.457 1.00 0.00 C ATOM 1193 SD MET A 74 9.064 -20.575 -10.335 1.00 0.00 S ATOM 1194 CE MET A 74 8.017 -21.189 -9.018 1.00 0.00 C ATOM 0 H MET A 74 14.077 -19.951 -10.571 1.00 0.00 H new ATOM 0 HA MET A 74 12.738 -21.084 -8.199 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.032 -20.590 -11.052 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.450 -22.102 -10.385 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.512 -20.717 -8.433 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.861 -19.298 -9.400 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.984 -20.897 -9.208 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.085 -22.276 -8.976 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.344 -20.768 -8.067 1.00 0.00 H new ATOM 1204 N MET A 75 13.678 -23.357 -8.368 1.00 0.00 N ATOM 1205 CA MET A 75 14.276 -24.686 -8.413 1.00 0.00 C ATOM 1206 C MET A 75 13.232 -25.761 -8.127 1.00 0.00 C ATOM 1207 O MET A 75 12.747 -25.886 -7.004 1.00 0.00 O ATOM 1208 CB MET A 75 15.420 -24.788 -7.403 1.00 0.00 C ATOM 1209 CG MET A 75 16.367 -23.599 -7.434 1.00 0.00 C ATOM 1210 SD MET A 75 18.071 -24.058 -7.063 1.00 0.00 S ATOM 1211 CE MET A 75 18.592 -24.728 -8.641 1.00 0.00 C ATOM 0 H MET A 75 13.263 -23.111 -7.469 1.00 0.00 H new ATOM 0 HA MET A 75 14.672 -24.846 -9.416 1.00 0.00 H new ATOM 0 HB2 MET A 75 15.002 -24.883 -6.401 1.00 0.00 H new ATOM 0 HB3 MET A 75 15.987 -25.698 -7.599 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.327 -23.133 -8.418 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.031 -22.853 -6.714 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.629 -25.057 -8.572 1.00 0.00 H new ATOM 0 HE2 MET A 75 17.959 -25.576 -8.903 1.00 0.00 H new ATOM 0 HE3 MET A 75 18.505 -23.960 -9.409 1.00 0.00 H new ATOM 1221 N GLY A 76 12.891 -26.536 -9.153 1.00 0.00 N ATOM 1222 CA GLY A 76 11.907 -27.590 -8.991 1.00 0.00 C ATOM 1223 C GLY A 76 11.330 -28.053 -10.314 1.00 0.00 C ATOM 1224 O GLY A 76 11.994 -27.982 -11.349 1.00 0.00 O ATOM 0 H GLY A 76 13.279 -26.452 -10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.367 -28.437 -8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.100 -27.234 -8.351 1.00 0.00 H new ATOM 1228 N THR A 77 10.090 -28.532 -10.283 1.00 0.00 N ATOM 1229 CA THR A 77 9.426 -29.012 -11.487 1.00 0.00 C ATOM 1230 C THR A 77 7.987 -28.514 -11.557 1.00 0.00 C ATOM 1231 O THR A 77 7.367 -28.233 -10.531 1.00 0.00 O ATOM 1232 CB THR A 77 9.428 -30.551 -11.555 1.00 0.00 C ATOM 1233 OG1 THR A 77 9.175 -30.983 -12.897 1.00 0.00 O ATOM 1234 CG2 THR A 77 8.378 -31.135 -10.622 1.00 0.00 C ATOM 0 H THR A 77 9.526 -28.597 -9.436 1.00 0.00 H new ATOM 0 HA THR A 77 9.986 -28.618 -12.335 1.00 0.00 H new ATOM 0 HB THR A 77 10.409 -30.905 -11.239 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.180 -31.962 -12.932 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.398 -32.223 -10.687 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.591 -30.829 -9.598 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.392 -30.772 -10.912 1.00 0.00 H new ATOM 1242 N ARG A 78 7.461 -28.407 -12.773 1.00 0.00 N ATOM 1243 CA ARG A 78 6.094 -27.942 -12.976 1.00 0.00 C ATOM 1244 C ARG A 78 5.202 -29.076 -13.472 1.00 0.00 C ATOM 1245 O ARG A 78 5.646 -29.945 -14.221 1.00 0.00 O ATOM 1246 CB ARG A 78 6.070 -26.785 -13.976 1.00 0.00 C ATOM 1247 CG ARG A 78 6.542 -27.173 -15.368 1.00 0.00 C ATOM 1248 CD ARG A 78 8.048 -27.016 -15.510 1.00 0.00 C ATOM 1249 NE ARG A 78 8.420 -26.463 -16.809 1.00 0.00 N ATOM 1250 CZ ARG A 78 9.628 -26.598 -17.346 1.00 0.00 C ATOM 1251 NH1 ARG A 78 10.574 -27.264 -16.699 1.00 0.00 N ATOM 1252 NH2 ARG A 78 9.891 -26.066 -18.533 1.00 0.00 N ATOM 0 H ARG A 78 7.961 -28.636 -13.632 1.00 0.00 H new ATOM 0 HA ARG A 78 5.709 -27.593 -12.018 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.055 -26.394 -14.042 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.699 -25.978 -13.600 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.262 -28.206 -15.573 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.039 -26.553 -16.110 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.421 -26.366 -14.719 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.528 -27.986 -15.378 1.00 0.00 H new ATOM 0 HE ARG A 78 7.714 -25.945 -17.333 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.376 -27.674 -15.787 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.500 -27.366 -17.114 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.166 -25.553 -19.034 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.819 -26.170 -18.944 1.00 0.00 H new ATOM 1266 N GLU A 79 3.942 -29.060 -13.048 1.00 0.00 N ATOM 1267 CA GLU A 79 2.989 -30.088 -13.448 1.00 0.00 C ATOM 1268 C GLU A 79 2.423 -29.795 -14.835 1.00 0.00 C ATOM 1269 O GLU A 79 2.713 -28.756 -15.427 1.00 0.00 O ATOM 1270 CB GLU A 79 1.850 -30.183 -12.431 1.00 0.00 C ATOM 1271 CG GLU A 79 2.222 -30.945 -11.170 1.00 0.00 C ATOM 1272 CD GLU A 79 1.012 -31.320 -10.337 1.00 0.00 C ATOM 1273 OE1 GLU A 79 -0.107 -30.893 -10.690 1.00 0.00 O ATOM 1274 OE2 GLU A 79 1.184 -32.041 -9.331 1.00 0.00 O ATOM 0 H GLU A 79 3.558 -28.347 -12.428 1.00 0.00 H new ATOM 0 HA GLU A 79 3.516 -31.042 -13.483 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.534 -29.176 -12.157 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.995 -30.669 -12.900 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.765 -31.850 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.898 -30.337 -10.569 1.00 0.00 H new ATOM 1281 N GLU A 80 1.616 -30.719 -15.346 1.00 0.00 N ATOM 1282 CA GLU A 80 1.011 -30.561 -16.664 1.00 0.00 C ATOM 1283 C GLU A 80 -0.511 -30.614 -16.573 1.00 0.00 C ATOM 1284 O GLU A 80 -1.188 -30.986 -17.532 1.00 0.00 O ATOM 1285 CB GLU A 80 1.515 -31.648 -17.615 1.00 0.00 C ATOM 1286 CG GLU A 80 1.230 -33.060 -17.131 1.00 0.00 C ATOM 1287 CD GLU A 80 -0.105 -33.586 -17.621 1.00 0.00 C ATOM 1288 OE1 GLU A 80 -0.274 -33.722 -18.851 1.00 0.00 O ATOM 1289 OE2 GLU A 80 -0.980 -33.863 -16.774 1.00 0.00 O ATOM 0 H GLU A 80 1.366 -31.585 -14.868 1.00 0.00 H new ATOM 0 HA GLU A 80 1.301 -29.585 -17.054 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.052 -31.507 -18.592 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.590 -31.530 -17.751 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.025 -33.724 -17.471 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.245 -33.077 -16.041 1.00 0.00 H new ATOM 1296 N SER A 81 -1.043 -30.240 -15.414 1.00 0.00 N ATOM 1297 CA SER A 81 -2.485 -30.249 -15.196 1.00 0.00 C ATOM 1298 C SER A 81 -3.022 -28.828 -15.053 1.00 0.00 C ATOM 1299 O SER A 81 -4.228 -28.619 -14.938 1.00 0.00 O ATOM 1300 CB SER A 81 -2.828 -31.064 -13.947 1.00 0.00 C ATOM 1301 OG SER A 81 -4.227 -31.256 -13.832 1.00 0.00 O ATOM 0 H SER A 81 -0.497 -29.927 -14.611 1.00 0.00 H new ATOM 0 HA SER A 81 -2.956 -30.711 -16.064 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.327 -32.031 -13.991 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.454 -30.552 -13.061 1.00 0.00 H new ATOM 0 HG SER A 81 -4.690 -30.416 -14.032 1.00 0.00 H new TER 1307 SER A 81