USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 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 NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 131 ZNZN :(H bumps) USER MOD NoAdj-H: A 91 HIS HD1 : A 91 HIS ND1 : A 132 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 133 ZNZN :(H bumps) USER MOD NoAdj-H: A 101 HIS HD1 : A 101 HIS ND1 : A 133 ZNZN :(H bumps) USER MOD Set 1.1: A 106 ASN : amide:sc= -1.56 K(o=-1.6,f=-11!) USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 96 SER OG : rot -159:sc= -0.153 USER MOD Set 2.2: A 97 GLN : amide:sc= -6.3! C(o=-6.5!,f=-9.5!) USER MOD Set 3.1: A 93 THR OG1 : rot 77:sc= 0.555 USER MOD Set 3.2: A 115 TYR OH : rot 180:sc=-0.00591 USER MOD Set 4.1: A 92 SER OG : rot 110:sc= -0.534 USER MOD Set 4.2: A 104 THR OG1 : rot 170:sc= -1.45 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 38 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-3.2!) USER MOD Single : A 44 SER OG : rot 74:sc= 0.0411 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -1.6 (180deg=-2.96) USER MOD Single : A 57 SER OG : rot -19:sc= 0.866 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 62 GLN : amide:sc= -2.14 K(o=-2.1,f=-7.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.9!) USER MOD Single : A 77 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.1!) USER MOD Single : A 80 SER OG : rot -152:sc= 1.24 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -5! K(o=-5!,f=-1.7) USER MOD Single : A 99 THR OG1 : rot 157:sc= 0.0655 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 96:sc= -2.1! USER MOD Single : A 118 SER OG : rot 180:sc= -0.0623 USER MOD Single : A 119 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0383) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 36 22.877 -2.944 6.155 1.00 0.00 N ATOM 2 CA ARG A 36 22.369 -1.840 5.299 1.00 0.00 C ATOM 3 C ARG A 36 21.755 -0.726 6.141 1.00 0.00 C ATOM 4 O ARG A 36 21.189 -0.979 7.205 1.00 0.00 O ATOM 5 CB ARG A 36 21.325 -2.411 4.337 1.00 0.00 C ATOM 6 CG ARG A 36 21.893 -3.422 3.352 1.00 0.00 C ATOM 7 CD ARG A 36 20.824 -3.937 2.401 1.00 0.00 C ATOM 8 NE ARG A 36 21.102 -3.571 1.015 1.00 0.00 N ATOM 9 CZ ARG A 36 21.978 -4.210 0.241 1.00 0.00 C ATOM 10 NH1 ARG A 36 22.661 -5.245 0.714 1.00 0.00 N ATOM 11 NH2 ARG A 36 22.170 -3.812 -1.009 1.00 0.00 N ATOM 0 HA ARG A 36 23.200 -1.409 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 36 20.532 -2.885 4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 36 20.869 -1.592 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 36 22.698 -2.961 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 36 22.328 -4.259 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 36 20.758 -5.022 2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 36 19.854 -3.536 2.694 1.00 0.00 H new ATOM 0 HE ARG A 36 20.596 -2.780 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 36 22.517 -5.555 1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.330 -5.730 0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 36 21.647 -3.017 -1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.840 -4.301 -1.602 1.00 0.00 H new ATOM 27 N ASN A 37 21.870 0.506 5.658 1.00 0.00 N ATOM 28 CA ASN A 37 21.326 1.659 6.365 1.00 0.00 C ATOM 29 C ASN A 37 19.803 1.685 6.272 1.00 0.00 C ATOM 30 O ASN A 37 19.109 1.718 7.287 1.00 0.00 O ATOM 31 CB ASN A 37 21.906 2.955 5.797 1.00 0.00 C ATOM 32 CG ASN A 37 23.132 3.422 6.557 1.00 0.00 C ATOM 33 OD1 ASN A 37 23.955 2.614 6.988 1.00 0.00 O ATOM 34 ND2 ASN A 37 23.260 4.733 6.727 1.00 0.00 N ATOM 0 H ASN A 37 22.336 0.732 4.779 1.00 0.00 H new ATOM 0 HA ASN A 37 21.607 1.575 7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 37 22.167 2.805 4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 37 21.145 3.734 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 37 24.064 5.106 7.232 1.00 0.00 H new ATOM 0 HD22 ASN A 37 22.554 5.367 6.353 1.00 0.00 H new ATOM 41 N HIS A 38 19.291 1.669 5.046 1.00 0.00 N ATOM 42 CA HIS A 38 17.851 1.691 4.818 1.00 0.00 C ATOM 43 C HIS A 38 17.438 0.590 3.847 1.00 0.00 C ATOM 44 O HIS A 38 18.235 0.145 3.022 1.00 0.00 O ATOM 45 CB HIS A 38 17.420 3.054 4.274 1.00 0.00 C ATOM 46 CG HIS A 38 15.997 3.400 4.583 1.00 0.00 C ATOM 47 ND1 HIS A 38 15.314 4.418 3.952 1.00 0.00 N ATOM 48 CD2 HIS A 38 15.123 2.853 5.464 1.00 0.00 C ATOM 49 CE1 HIS A 38 14.084 4.485 4.431 1.00 0.00 C ATOM 50 NE2 HIS A 38 13.943 3.547 5.347 1.00 0.00 N ATOM 0 H HIS A 38 19.852 1.641 4.195 1.00 0.00 H new ATOM 0 HA HIS A 38 17.354 1.515 5.772 1.00 0.00 H new ATOM 0 HB2 HIS A 38 18.071 3.824 4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.562 3.066 3.193 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.318 2.027 6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.324 5.188 4.124 1.00 0.00 H new ATOM 0 HE2 HIS A 38 13.094 3.366 5.883 1.00 0.00 H new ATOM 59 N CYS A 39 16.186 0.155 3.953 1.00 0.00 N ATOM 60 CA CYS A 39 15.667 -0.895 3.084 1.00 0.00 C ATOM 61 C CYS A 39 15.665 -0.434 1.621 1.00 0.00 C ATOM 62 O CYS A 39 15.224 0.674 1.310 1.00 0.00 O ATOM 63 CB CYS A 39 14.256 -1.297 3.540 1.00 0.00 C ATOM 64 SG CYS A 39 13.157 -1.858 2.217 1.00 0.00 S ATOM 0 H CYS A 39 15.513 0.513 4.631 1.00 0.00 H new ATOM 0 HA CYS A 39 16.316 -1.768 3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.342 -2.091 4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.795 -0.444 4.038 1.00 0.00 H new ATOM 69 N PRO A 40 16.165 -1.282 0.703 1.00 0.00 N ATOM 70 CA PRO A 40 16.229 -0.957 -0.729 1.00 0.00 C ATOM 71 C PRO A 40 14.857 -0.914 -1.395 1.00 0.00 C ATOM 72 O PRO A 40 14.569 -0.014 -2.183 1.00 0.00 O ATOM 73 CB PRO A 40 17.065 -2.098 -1.314 1.00 0.00 C ATOM 74 CG PRO A 40 16.858 -3.236 -0.376 1.00 0.00 C ATOM 75 CD PRO A 40 16.716 -2.622 0.987 1.00 0.00 C ATOM 0 HA PRO A 40 16.649 0.035 -0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.739 -2.352 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.118 -1.825 -1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.968 -3.806 -0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.700 -3.927 -0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.049 -3.204 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.675 -2.561 1.502 1.00 0.00 H new ATOM 83 N HIS A 41 14.017 -1.896 -1.082 1.00 0.00 N ATOM 84 CA HIS A 41 12.678 -1.978 -1.659 1.00 0.00 C ATOM 85 C HIS A 41 11.961 -0.628 -1.597 1.00 0.00 C ATOM 86 O HIS A 41 11.510 -0.107 -2.617 1.00 0.00 O ATOM 87 CB HIS A 41 11.861 -3.048 -0.933 1.00 0.00 C ATOM 88 CG HIS A 41 12.621 -4.317 -0.684 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.076 -4.647 0.570 1.00 0.00 N ATOM 90 CD2 HIS A 41 12.984 -5.289 -1.556 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.702 -5.802 0.437 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.673 -6.231 -0.835 1.00 0.00 N ATOM 0 H HIS A 41 14.240 -2.648 -0.430 1.00 0.00 H new ATOM 0 HA HIS A 41 12.777 -2.254 -2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.518 -2.647 0.021 1.00 0.00 H new ATOM 0 HB3 HIS A 41 10.972 -3.276 -1.521 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.772 -5.317 -2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.177 -6.334 1.248 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.084 -7.092 -1.196 1.00 0.00 H new ATOM 100 N LEU A 42 11.865 -0.066 -0.397 1.00 0.00 N ATOM 101 CA LEU A 42 11.210 1.223 -0.202 1.00 0.00 C ATOM 102 C LEU A 42 12.098 2.365 -0.686 1.00 0.00 C ATOM 103 O LEU A 42 11.611 3.348 -1.244 1.00 0.00 O ATOM 104 CB LEU A 42 10.862 1.424 1.275 1.00 0.00 C ATOM 105 CG LEU A 42 12.059 1.442 2.227 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.592 2.858 2.387 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.672 0.862 3.579 1.00 0.00 C ATOM 0 H LEU A 42 12.233 -0.484 0.457 1.00 0.00 H new ATOM 0 HA LEU A 42 10.292 1.227 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.320 2.364 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.184 0.629 1.584 1.00 0.00 H new ATOM 0 HG LEU A 42 12.849 0.824 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.443 2.852 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.907 3.240 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.808 3.498 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.535 0.882 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.866 1.455 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.337 -0.167 3.451 1.00 0.00 H new ATOM 119 N ASP A 43 13.404 2.232 -0.472 1.00 0.00 N ATOM 120 CA ASP A 43 14.355 3.259 -0.890 1.00 0.00 C ATOM 121 C ASP A 43 14.215 3.575 -2.379 1.00 0.00 C ATOM 122 O ASP A 43 14.616 4.646 -2.833 1.00 0.00 O ATOM 123 CB ASP A 43 15.786 2.811 -0.584 1.00 0.00 C ATOM 124 CG ASP A 43 16.817 3.854 -0.971 1.00 0.00 C ATOM 125 OD1 ASP A 43 17.317 4.557 -0.068 1.00 0.00 O ATOM 126 OD2 ASP A 43 17.124 3.968 -2.176 1.00 0.00 O ATOM 0 H ASP A 43 13.828 1.426 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 43 14.134 4.167 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.875 2.594 0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.995 1.883 -1.117 1.00 0.00 H new ATOM 131 N SER A 44 13.650 2.637 -3.137 1.00 0.00 N ATOM 132 CA SER A 44 13.470 2.824 -4.573 1.00 0.00 C ATOM 133 C SER A 44 12.205 3.625 -4.873 1.00 0.00 C ATOM 134 O SER A 44 12.212 4.512 -5.726 1.00 0.00 O ATOM 135 CB SER A 44 13.406 1.469 -5.279 1.00 0.00 C ATOM 136 OG SER A 44 14.677 0.840 -5.291 1.00 0.00 O ATOM 0 H SER A 44 13.311 1.743 -2.781 1.00 0.00 H new ATOM 0 HA SER A 44 14.326 3.385 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.683 0.827 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 44 13.054 1.604 -6.302 1.00 0.00 H new ATOM 0 HG SER A 44 14.881 0.498 -4.396 1.00 0.00 H new ATOM 142 N VAL A 45 11.121 3.304 -4.174 1.00 0.00 N ATOM 143 CA VAL A 45 9.852 3.995 -4.377 1.00 0.00 C ATOM 144 C VAL A 45 9.982 5.488 -4.091 1.00 0.00 C ATOM 145 O VAL A 45 10.976 5.937 -3.519 1.00 0.00 O ATOM 146 CB VAL A 45 8.736 3.401 -3.493 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.575 1.914 -3.767 1.00 0.00 C ATOM 148 CG2 VAL A 45 9.015 3.651 -2.017 1.00 0.00 C ATOM 0 H VAL A 45 11.095 2.572 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 45 9.583 3.855 -5.424 1.00 0.00 H new ATOM 0 HB VAL A 45 7.801 3.901 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.784 1.511 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.315 1.763 -4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.511 1.400 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.212 3.222 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.962 3.186 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.071 4.724 -1.834 1.00 0.00 H new ATOM 158 N GLY A 46 8.970 6.252 -4.490 1.00 0.00 N ATOM 159 CA GLY A 46 8.990 7.685 -4.264 1.00 0.00 C ATOM 160 C GLY A 46 8.077 8.105 -3.130 1.00 0.00 C ATOM 161 O GLY A 46 8.220 7.632 -2.002 1.00 0.00 O ATOM 0 H GLY A 46 8.137 5.904 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.009 8.001 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.690 8.198 -5.178 1.00 0.00 H new ATOM 165 N GLU A 47 7.136 8.996 -3.428 1.00 0.00 N ATOM 166 CA GLU A 47 6.197 9.479 -2.422 1.00 0.00 C ATOM 167 C GLU A 47 4.797 9.630 -3.009 1.00 0.00 C ATOM 168 O GLU A 47 4.635 9.805 -4.217 1.00 0.00 O ATOM 169 CB GLU A 47 6.671 10.817 -1.856 1.00 0.00 C ATOM 170 CG GLU A 47 6.119 11.122 -0.473 1.00 0.00 C ATOM 171 CD GLU A 47 7.116 11.857 0.402 1.00 0.00 C ATOM 172 OE1 GLU A 47 6.995 11.769 1.642 1.00 0.00 O ATOM 173 OE2 GLU A 47 8.018 12.519 -0.153 1.00 0.00 O ATOM 0 H GLU A 47 7.004 9.397 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 47 6.156 8.744 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.760 10.818 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.379 11.615 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.215 11.723 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.832 10.190 0.014 1.00 0.00 H new ATOM 180 N ILE A 48 3.790 9.564 -2.145 1.00 0.00 N ATOM 181 CA ILE A 48 2.402 9.698 -2.574 1.00 0.00 C ATOM 182 C ILE A 48 1.810 11.019 -2.091 1.00 0.00 C ATOM 183 O ILE A 48 2.058 11.442 -0.962 1.00 0.00 O ATOM 184 CB ILE A 48 1.539 8.527 -2.058 1.00 0.00 C ATOM 185 CG1 ILE A 48 0.159 8.551 -2.717 1.00 0.00 C ATOM 186 CG2 ILE A 48 1.410 8.583 -0.541 1.00 0.00 C ATOM 187 CD1 ILE A 48 -0.407 7.173 -2.980 1.00 0.00 C ATOM 0 H ILE A 48 3.909 9.418 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 48 2.397 9.681 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 48 2.032 7.592 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.531 9.103 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.224 9.094 -3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.798 7.749 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.400 8.518 -0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.940 9.522 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.387 7.265 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.262 6.625 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.505 6.634 -2.038 1.00 0.00 H new ATOM 199 N THR A 49 1.036 11.671 -2.952 1.00 0.00 N ATOM 200 CA THR A 49 0.421 12.948 -2.606 1.00 0.00 C ATOM 201 C THR A 49 -0.881 12.746 -1.838 1.00 0.00 C ATOM 202 O THR A 49 -1.493 11.677 -1.894 1.00 0.00 O ATOM 203 CB THR A 49 0.157 13.769 -3.868 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.714 13.077 -4.744 1.00 0.00 O ATOM 205 CG2 THR A 49 1.414 14.104 -4.641 1.00 0.00 C ATOM 0 H THR A 49 0.820 11.338 -3.892 1.00 0.00 H new ATOM 0 HA THR A 49 1.116 13.489 -1.964 1.00 0.00 H new ATOM 0 HB THR A 49 -0.292 14.698 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.872 13.620 -5.545 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.153 14.687 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.086 14.684 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.909 13.183 -4.948 1.00 0.00 H new ATOM 213 N LYS A 50 -1.302 13.786 -1.125 1.00 0.00 N ATOM 214 CA LYS A 50 -2.533 13.736 -0.346 1.00 0.00 C ATOM 215 C LYS A 50 -3.742 13.547 -1.255 1.00 0.00 C ATOM 216 O LYS A 50 -4.722 12.905 -0.878 1.00 0.00 O ATOM 217 CB LYS A 50 -2.689 15.015 0.480 1.00 0.00 C ATOM 218 CG LYS A 50 -2.625 14.781 1.981 1.00 0.00 C ATOM 219 CD LYS A 50 -3.237 15.940 2.753 1.00 0.00 C ATOM 220 CE LYS A 50 -2.961 15.822 4.243 1.00 0.00 C ATOM 221 NZ LYS A 50 -2.810 17.156 4.887 1.00 0.00 N ATOM 0 H LYS A 50 -0.807 14.676 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.475 12.883 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.906 15.718 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.642 15.483 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.151 13.859 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.587 14.648 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.833 16.881 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.313 15.965 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.776 15.278 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.054 15.239 4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.623 17.032 5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.016 17.665 4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.685 17.704 4.761 1.00 0.00 H new ATOM 235 N GLU A 51 -3.665 14.111 -2.457 1.00 0.00 N ATOM 236 CA GLU A 51 -4.752 14.006 -3.423 1.00 0.00 C ATOM 237 C GLU A 51 -5.048 12.545 -3.748 1.00 0.00 C ATOM 238 O GLU A 51 -6.206 12.139 -3.825 1.00 0.00 O ATOM 239 CB GLU A 51 -4.402 14.770 -4.702 1.00 0.00 C ATOM 240 CG GLU A 51 -5.437 15.814 -5.091 1.00 0.00 C ATOM 241 CD GLU A 51 -6.834 15.237 -5.199 1.00 0.00 C ATOM 242 OE1 GLU A 51 -6.989 14.169 -5.828 1.00 0.00 O ATOM 243 OE2 GLU A 51 -7.775 15.853 -4.656 1.00 0.00 O ATOM 0 H GLU A 51 -2.860 14.646 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.645 14.448 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.437 15.259 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.290 14.059 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.435 16.615 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.157 16.260 -6.045 1.00 0.00 H new ATOM 250 N ASP A 52 -3.993 11.762 -3.938 1.00 0.00 N ATOM 251 CA ASP A 52 -4.142 10.346 -4.253 1.00 0.00 C ATOM 252 C ASP A 52 -4.607 9.565 -3.028 1.00 0.00 C ATOM 253 O ASP A 52 -5.520 8.745 -3.115 1.00 0.00 O ATOM 254 CB ASP A 52 -2.820 9.774 -4.767 1.00 0.00 C ATOM 255 CG ASP A 52 -2.687 9.886 -6.274 1.00 0.00 C ATOM 256 OD1 ASP A 52 -1.980 9.048 -6.871 1.00 0.00 O ATOM 257 OD2 ASP A 52 -3.290 10.813 -6.855 1.00 0.00 O ATOM 0 H ASP A 52 -3.026 12.083 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.897 10.249 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.991 10.299 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.743 8.727 -4.475 1.00 0.00 H new ATOM 262 N LEU A 53 -3.968 9.820 -1.889 1.00 0.00 N ATOM 263 CA LEU A 53 -4.315 9.135 -0.649 1.00 0.00 C ATOM 264 C LEU A 53 -5.752 9.436 -0.232 1.00 0.00 C ATOM 265 O LEU A 53 -6.419 8.596 0.372 1.00 0.00 O ATOM 266 CB LEU A 53 -3.352 9.536 0.472 1.00 0.00 C ATOM 267 CG LEU A 53 -1.900 9.082 0.285 1.00 0.00 C ATOM 268 CD1 LEU A 53 -1.124 9.228 1.585 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.844 7.643 -0.210 1.00 0.00 C ATOM 0 H LEU A 53 -3.209 10.495 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.229 8.063 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.366 10.622 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.724 9.127 1.411 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.438 9.721 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.095 8.901 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.131 10.272 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.589 8.615 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.804 7.342 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.326 6.989 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.362 7.567 -1.166 1.00 0.00 H new ATOM 281 N ILE A 54 -6.225 10.636 -0.554 1.00 0.00 N ATOM 282 CA ILE A 54 -7.584 11.039 -0.205 1.00 0.00 C ATOM 283 C ILE A 54 -8.609 10.041 -0.742 1.00 0.00 C ATOM 284 O ILE A 54 -9.563 9.684 -0.051 1.00 0.00 O ATOM 285 CB ILE A 54 -7.901 12.463 -0.727 1.00 0.00 C ATOM 286 CG1 ILE A 54 -8.729 13.232 0.305 1.00 0.00 C ATOM 287 CG2 ILE A 54 -8.629 12.422 -2.066 1.00 0.00 C ATOM 288 CD1 ILE A 54 -8.923 14.692 -0.042 1.00 0.00 C ATOM 0 H ILE A 54 -5.689 11.345 -1.055 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.649 11.051 0.883 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.954 12.979 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.705 12.757 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.241 13.160 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.834 13.439 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.006 11.917 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.568 11.881 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.519 15.174 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.952 15.182 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.439 14.773 -0.999 1.00 0.00 H new ATOM 300 N GLN A 55 -8.400 9.594 -1.976 1.00 0.00 N ATOM 301 CA GLN A 55 -9.301 8.635 -2.603 1.00 0.00 C ATOM 302 C GLN A 55 -9.200 7.279 -1.921 1.00 0.00 C ATOM 303 O GLN A 55 -10.210 6.627 -1.658 1.00 0.00 O ATOM 304 CB GLN A 55 -8.982 8.501 -4.095 1.00 0.00 C ATOM 305 CG GLN A 55 -10.219 8.412 -4.975 1.00 0.00 C ATOM 306 CD GLN A 55 -10.459 7.010 -5.502 1.00 0.00 C ATOM 307 OE1 GLN A 55 -11.314 6.283 -4.995 1.00 0.00 O ATOM 308 NE2 GLN A 55 -9.705 6.624 -6.524 1.00 0.00 N ATOM 0 H GLN A 55 -7.615 9.881 -2.561 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.322 9.002 -2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.384 9.356 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.371 7.611 -4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.090 8.736 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.113 9.099 -5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.009 7.260 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.822 5.692 -6.921 1.00 0.00 H new ATOM 317 N LYS A 56 -7.977 6.867 -1.628 1.00 0.00 N ATOM 318 CA LYS A 56 -7.744 5.593 -0.961 1.00 0.00 C ATOM 319 C LYS A 56 -8.268 5.652 0.468 1.00 0.00 C ATOM 320 O LYS A 56 -8.725 4.650 1.020 1.00 0.00 O ATOM 321 CB LYS A 56 -6.252 5.248 -0.960 1.00 0.00 C ATOM 322 CG LYS A 56 -5.518 5.681 -2.220 1.00 0.00 C ATOM 323 CD LYS A 56 -4.165 4.998 -2.339 1.00 0.00 C ATOM 324 CE LYS A 56 -3.438 5.422 -3.604 1.00 0.00 C ATOM 325 NZ LYS A 56 -2.091 4.796 -3.707 1.00 0.00 N ATOM 0 H LYS A 56 -7.130 7.394 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.277 4.814 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.781 5.719 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.138 4.171 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.124 5.445 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.381 6.762 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.555 5.241 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.301 3.916 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.034 5.147 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.336 6.507 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.515 5.323 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.627 4.817 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.190 3.810 -4.023 1.00 0.00 H new ATOM 339 N SER A 57 -8.197 6.840 1.062 1.00 0.00 N ATOM 340 CA SER A 57 -8.660 7.050 2.428 1.00 0.00 C ATOM 341 C SER A 57 -10.186 7.010 2.514 1.00 0.00 C ATOM 342 O SER A 57 -10.748 6.937 3.606 1.00 0.00 O ATOM 343 CB SER A 57 -8.145 8.388 2.961 1.00 0.00 C ATOM 344 OG SER A 57 -8.764 9.475 2.297 1.00 0.00 O ATOM 0 H SER A 57 -7.821 7.676 0.614 1.00 0.00 H new ATOM 0 HA SER A 57 -8.265 6.240 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.338 8.455 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.065 8.444 2.828 1.00 0.00 H new ATOM 0 HG SER A 57 -9.152 9.164 1.452 1.00 0.00 H new ATOM 350 N LEU A 58 -10.857 7.062 1.364 1.00 0.00 N ATOM 351 CA LEU A 58 -12.317 7.034 1.341 1.00 0.00 C ATOM 352 C LEU A 58 -12.848 5.726 1.925 1.00 0.00 C ATOM 353 O LEU A 58 -14.009 5.643 2.325 1.00 0.00 O ATOM 354 CB LEU A 58 -12.833 7.214 -0.088 1.00 0.00 C ATOM 355 CG LEU A 58 -12.850 8.657 -0.593 1.00 0.00 C ATOM 356 CD1 LEU A 58 -13.192 8.699 -2.075 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.840 9.490 0.209 1.00 0.00 C ATOM 0 H LEU A 58 -10.418 7.123 0.445 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.678 7.859 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.215 6.618 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.845 6.813 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.855 9.082 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.200 9.734 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.446 8.136 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.176 8.257 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.839 10.514 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.839 9.067 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.551 9.486 1.260 1.00 0.00 H new ATOM 369 N GLY A 59 -11.992 4.709 1.982 1.00 0.00 N ATOM 370 CA GLY A 59 -12.398 3.429 2.530 1.00 0.00 C ATOM 371 C GLY A 59 -12.945 2.481 1.482 1.00 0.00 C ATOM 372 O GLY A 59 -13.974 1.840 1.694 1.00 0.00 O ATOM 0 H GLY A 59 -11.026 4.750 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.544 2.964 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.157 3.592 3.295 1.00 0.00 H new ATOM 376 N THR A 60 -12.260 2.385 0.349 1.00 0.00 N ATOM 377 CA THR A 60 -12.690 1.497 -0.724 1.00 0.00 C ATOM 378 C THR A 60 -11.492 0.883 -1.438 1.00 0.00 C ATOM 379 O THR A 60 -10.498 1.559 -1.700 1.00 0.00 O ATOM 380 CB THR A 60 -13.560 2.258 -1.724 1.00 0.00 C ATOM 381 OG1 THR A 60 -14.364 3.217 -1.061 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.480 1.359 -2.521 1.00 0.00 C ATOM 0 H THR A 60 -11.408 2.909 0.150 1.00 0.00 H new ATOM 0 HA THR A 60 -13.276 0.691 -0.282 1.00 0.00 H new ATOM 0 HB THR A 60 -12.861 2.736 -2.410 1.00 0.00 H new ATOM 0 HG1 THR A 60 -14.912 3.695 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.069 1.962 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.887 0.638 -3.084 1.00 0.00 H new ATOM 0 HG23 THR A 60 -15.148 0.828 -1.842 1.00 0.00 H new ATOM 390 N CYS A 61 -11.594 -0.403 -1.754 1.00 0.00 N ATOM 391 CA CYS A 61 -10.520 -1.109 -2.442 1.00 0.00 C ATOM 392 C CYS A 61 -10.650 -0.953 -3.954 1.00 0.00 C ATOM 393 O CYS A 61 -11.756 -0.941 -4.493 1.00 0.00 O ATOM 394 CB CYS A 61 -10.532 -2.592 -2.069 1.00 0.00 C ATOM 395 SG CYS A 61 -9.115 -3.521 -2.701 1.00 0.00 S ATOM 0 H CYS A 61 -12.410 -0.978 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.572 -0.671 -2.128 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.558 -2.683 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.448 -3.044 -2.448 1.00 0.00 H new ATOM 400 N GLN A 62 -9.514 -0.833 -4.632 1.00 0.00 N ATOM 401 CA GLN A 62 -9.503 -0.678 -6.081 1.00 0.00 C ATOM 402 C GLN A 62 -9.759 -2.013 -6.777 1.00 0.00 C ATOM 403 O GLN A 62 -10.438 -2.069 -7.802 1.00 0.00 O ATOM 404 CB GLN A 62 -8.165 -0.098 -6.542 1.00 0.00 C ATOM 405 CG GLN A 62 -8.302 0.960 -7.626 1.00 0.00 C ATOM 406 CD GLN A 62 -7.720 2.298 -7.213 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.522 2.416 -6.964 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.571 3.315 -7.138 1.00 0.00 N ATOM 0 H GLN A 62 -8.589 -0.840 -4.201 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.304 0.010 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.652 0.337 -5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.536 -0.907 -6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.802 0.614 -8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.356 1.087 -7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.558 3.171 -7.354 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.238 4.240 -6.865 1.00 0.00 H new ATOM 417 N ASP A 63 -9.210 -3.083 -6.212 1.00 0.00 N ATOM 418 CA ASP A 63 -9.376 -4.417 -6.780 1.00 0.00 C ATOM 419 C ASP A 63 -10.796 -4.931 -6.566 1.00 0.00 C ATOM 420 O ASP A 63 -11.466 -5.343 -7.513 1.00 0.00 O ATOM 421 CB ASP A 63 -8.370 -5.387 -6.156 1.00 0.00 C ATOM 422 CG ASP A 63 -7.000 -5.289 -6.797 1.00 0.00 C ATOM 423 OD1 ASP A 63 -6.761 -5.996 -7.799 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.165 -4.506 -6.297 1.00 0.00 O ATOM 0 H ASP A 63 -8.647 -3.053 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.193 -4.352 -7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.285 -5.181 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.743 -6.407 -6.255 1.00 0.00 H new ATOM 429 N CYS A 64 -11.248 -4.907 -5.316 1.00 0.00 N ATOM 430 CA CYS A 64 -12.588 -5.374 -4.979 1.00 0.00 C ATOM 431 C CYS A 64 -13.408 -4.260 -4.336 1.00 0.00 C ATOM 432 O CYS A 64 -12.916 -3.149 -4.135 1.00 0.00 O ATOM 433 CB CYS A 64 -12.512 -6.577 -4.038 1.00 0.00 C ATOM 434 SG CYS A 64 -11.615 -6.258 -2.500 1.00 0.00 S ATOM 0 H CYS A 64 -10.706 -4.569 -4.520 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.082 -5.676 -5.903 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.525 -6.899 -3.795 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.032 -7.404 -4.561 1.00 0.00 H new ATOM 439 N LYS A 65 -14.661 -4.565 -4.013 1.00 0.00 N ATOM 440 CA LYS A 65 -15.551 -3.590 -3.392 1.00 0.00 C ATOM 441 C LYS A 65 -15.715 -3.876 -1.903 1.00 0.00 C ATOM 442 O LYS A 65 -16.514 -4.725 -1.508 1.00 0.00 O ATOM 443 CB LYS A 65 -16.917 -3.604 -4.081 1.00 0.00 C ATOM 444 CG LYS A 65 -17.537 -4.990 -4.177 1.00 0.00 C ATOM 445 CD LYS A 65 -17.686 -5.437 -5.623 1.00 0.00 C ATOM 446 CE LYS A 65 -18.881 -6.360 -5.802 1.00 0.00 C ATOM 447 NZ LYS A 65 -18.465 -7.763 -6.081 1.00 0.00 N ATOM 0 H LYS A 65 -15.083 -5.480 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.105 -2.602 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.596 -2.948 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.813 -3.192 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.917 -5.705 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -18.514 -4.987 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.801 -4.563 -6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.778 -5.950 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.496 -6.336 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.501 -5.996 -6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.309 -8.359 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.900 -7.791 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.895 -8.120 -5.288 1.00 0.00 H new ATOM 461 N VAL A 66 -14.954 -3.160 -1.081 1.00 0.00 N ATOM 462 CA VAL A 66 -15.015 -3.337 0.366 1.00 0.00 C ATOM 463 C VAL A 66 -15.260 -2.007 1.073 1.00 0.00 C ATOM 464 O VAL A 66 -15.392 -0.967 0.429 1.00 0.00 O ATOM 465 CB VAL A 66 -13.719 -3.964 0.910 1.00 0.00 C ATOM 466 CG1 VAL A 66 -13.539 -5.374 0.368 1.00 0.00 C ATOM 467 CG2 VAL A 66 -12.518 -3.096 0.564 1.00 0.00 C ATOM 0 H VAL A 66 -14.288 -2.452 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.848 -4.011 0.567 1.00 0.00 H new ATOM 0 HB VAL A 66 -13.795 -4.023 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -12.617 -5.801 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.385 -5.991 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -13.486 -5.341 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.611 -3.556 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -12.437 -3.002 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -12.644 -2.108 1.006 1.00 0.00 H new ATOM 477 N GLN A 67 -15.320 -2.050 2.400 1.00 0.00 N ATOM 478 CA GLN A 67 -15.549 -0.848 3.194 1.00 0.00 C ATOM 479 C GLN A 67 -14.432 -0.645 4.213 1.00 0.00 C ATOM 480 O GLN A 67 -14.278 -1.434 5.144 1.00 0.00 O ATOM 481 CB GLN A 67 -16.899 -0.934 3.909 1.00 0.00 C ATOM 482 CG GLN A 67 -18.091 -0.915 2.965 1.00 0.00 C ATOM 483 CD GLN A 67 -18.977 0.300 3.166 1.00 0.00 C ATOM 484 OE1 GLN A 67 -19.918 0.271 3.959 1.00 0.00 O ATOM 485 NE2 GLN A 67 -18.678 1.376 2.447 1.00 0.00 N ATOM 0 H GLN A 67 -15.213 -2.904 2.948 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.557 0.007 2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.930 -1.849 4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.985 -0.101 4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.734 -0.933 1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.682 -1.819 3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.888 1.355 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -19.238 2.223 2.540 1.00 0.00 H new ATOM 494 N GLY A 68 -13.657 0.419 4.027 1.00 0.00 N ATOM 495 CA GLY A 68 -12.564 0.709 4.937 1.00 0.00 C ATOM 496 C GLY A 68 -13.040 0.985 6.353 1.00 0.00 C ATOM 497 O GLY A 68 -14.033 0.408 6.795 1.00 0.00 O ATOM 0 H GLY A 68 -13.766 1.085 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.872 -0.133 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.009 1.572 4.569 1.00 0.00 H new ATOM 501 N PRO A 69 -12.348 1.868 7.099 1.00 0.00 N ATOM 502 CA PRO A 69 -11.158 2.579 6.612 1.00 0.00 C ATOM 503 C PRO A 69 -9.963 1.648 6.429 1.00 0.00 C ATOM 504 O PRO A 69 -9.137 1.855 5.542 1.00 0.00 O ATOM 505 CB PRO A 69 -10.879 3.604 7.712 1.00 0.00 C ATOM 506 CG PRO A 69 -11.471 3.007 8.941 1.00 0.00 C ATOM 507 CD PRO A 69 -12.682 2.241 8.485 1.00 0.00 C ATOM 0 HA PRO A 69 -11.322 3.025 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.809 3.777 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.334 4.567 7.481 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -10.758 2.350 9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.745 3.781 9.658 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.859 1.363 9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.584 2.851 8.531 1.00 0.00 H new ATOM 515 N ASN A 70 -9.884 0.623 7.276 1.00 0.00 N ATOM 516 CA ASN A 70 -8.797 -0.354 7.220 1.00 0.00 C ATOM 517 C ASN A 70 -8.504 -0.780 5.782 1.00 0.00 C ATOM 518 O ASN A 70 -9.109 -1.720 5.268 1.00 0.00 O ATOM 519 CB ASN A 70 -9.150 -1.580 8.063 1.00 0.00 C ATOM 520 CG ASN A 70 -9.476 -1.219 9.498 1.00 0.00 C ATOM 521 OD1 ASN A 70 -8.928 -0.265 10.051 1.00 0.00 O ATOM 522 ND2 ASN A 70 -10.373 -1.982 10.113 1.00 0.00 N ATOM 0 H ASN A 70 -10.565 0.447 8.015 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.901 0.118 7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.003 -2.091 7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.315 -2.281 8.048 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.631 -1.787 11.080 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.803 -2.763 9.618 1.00 0.00 H new ATOM 529 N LEU A 71 -7.573 -0.080 5.140 1.00 0.00 N ATOM 530 CA LEU A 71 -7.203 -0.384 3.763 1.00 0.00 C ATOM 531 C LEU A 71 -5.766 0.043 3.474 1.00 0.00 C ATOM 532 O LEU A 71 -5.269 1.020 4.037 1.00 0.00 O ATOM 533 CB LEU A 71 -8.161 0.310 2.790 1.00 0.00 C ATOM 534 CG LEU A 71 -9.233 -0.596 2.182 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.221 0.222 1.364 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.592 -1.676 1.324 1.00 0.00 C ATOM 0 H LEU A 71 -7.062 0.701 5.552 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.274 -1.463 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.653 1.131 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.578 0.751 1.981 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.777 -1.080 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.976 -0.439 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.703 0.959 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.692 0.733 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.369 -2.312 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.023 -1.211 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.924 -2.280 1.938 1.00 0.00 H new ATOM 548 N TRP A 72 -5.105 -0.700 2.592 1.00 0.00 N ATOM 549 CA TRP A 72 -3.726 -0.406 2.225 1.00 0.00 C ATOM 550 C TRP A 72 -3.647 0.182 0.821 1.00 0.00 C ATOM 551 O TRP A 72 -4.583 0.061 0.031 1.00 0.00 O ATOM 552 CB TRP A 72 -2.874 -1.674 2.309 1.00 0.00 C ATOM 553 CG TRP A 72 -2.892 -2.316 3.663 1.00 0.00 C ATOM 554 CD1 TRP A 72 -3.982 -2.803 4.325 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.768 -2.537 4.521 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.604 -3.315 5.542 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.250 -3.164 5.687 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.400 -2.269 4.418 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.413 -3.524 6.739 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.430 -2.627 5.464 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.079 -3.249 6.611 1.00 0.00 C ATOM 0 H TRP A 72 -5.503 -1.511 2.118 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.339 0.332 2.928 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.231 -2.392 1.570 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.845 -1.429 2.045 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -4.994 -2.788 3.947 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.230 -3.739 6.227 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.001 -1.791 3.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.803 -4.003 7.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.488 -2.424 5.396 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.595 -3.517 7.411 1.00 0.00 H new ATOM 572 N ALA A 73 -2.521 0.820 0.515 1.00 0.00 N ATOM 573 CA ALA A 73 -2.319 1.427 -0.794 1.00 0.00 C ATOM 574 C ALA A 73 -0.873 1.272 -1.250 1.00 0.00 C ATOM 575 O ALA A 73 0.054 1.364 -0.444 1.00 0.00 O ATOM 576 CB ALA A 73 -2.708 2.897 -0.760 1.00 0.00 C ATOM 0 H ALA A 73 -1.736 0.929 1.156 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.958 0.911 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.552 3.338 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.758 2.989 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.093 3.419 -0.027 1.00 0.00 H new ATOM 582 N CYS A 74 -0.683 1.036 -2.545 1.00 0.00 N ATOM 583 CA CYS A 74 0.656 0.871 -3.100 1.00 0.00 C ATOM 584 C CYS A 74 1.517 2.097 -2.807 1.00 0.00 C ATOM 585 O CYS A 74 1.088 3.233 -3.012 1.00 0.00 O ATOM 586 CB CYS A 74 0.585 0.621 -4.607 1.00 0.00 C ATOM 587 SG CYS A 74 2.135 0.029 -5.324 1.00 0.00 S ATOM 0 H CYS A 74 -1.437 0.955 -3.227 1.00 0.00 H new ATOM 0 HA CYS A 74 1.117 0.005 -2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.199 -0.109 -4.808 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.295 1.546 -5.106 1.00 0.00 H new ATOM 592 N LEU A 75 2.726 1.859 -2.313 1.00 0.00 N ATOM 593 CA LEU A 75 3.644 2.942 -1.975 1.00 0.00 C ATOM 594 C LEU A 75 4.420 3.433 -3.197 1.00 0.00 C ATOM 595 O LEU A 75 5.032 4.501 -3.160 1.00 0.00 O ATOM 596 CB LEU A 75 4.622 2.483 -0.891 1.00 0.00 C ATOM 597 CG LEU A 75 5.460 3.595 -0.259 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.598 4.466 0.643 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.624 3.006 0.522 1.00 0.00 C ATOM 0 H LEU A 75 3.095 0.924 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 75 3.046 3.774 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.058 1.982 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.296 1.742 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 75 5.862 4.219 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.211 5.252 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.797 4.917 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.167 3.854 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.210 3.812 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.242 2.359 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.256 2.425 -0.150 1.00 0.00 H new ATOM 611 N GLU A 76 4.397 2.657 -4.279 1.00 0.00 N ATOM 612 CA GLU A 76 5.106 3.034 -5.498 1.00 0.00 C ATOM 613 C GLU A 76 4.682 4.423 -5.970 1.00 0.00 C ATOM 614 O GLU A 76 3.502 4.769 -5.931 1.00 0.00 O ATOM 615 CB GLU A 76 4.850 2.008 -6.603 1.00 0.00 C ATOM 616 CG GLU A 76 6.033 1.812 -7.537 1.00 0.00 C ATOM 617 CD GLU A 76 7.257 1.271 -6.824 1.00 0.00 C ATOM 618 OE1 GLU A 76 7.111 0.308 -6.042 1.00 0.00 O ATOM 619 OE2 GLU A 76 8.360 1.812 -7.046 1.00 0.00 O ATOM 0 H GLU A 76 3.898 1.769 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 76 6.172 3.056 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.595 1.051 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.985 2.323 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.750 1.127 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.282 2.764 -8.006 1.00 0.00 H new ATOM 626 N ASN A 77 5.654 5.215 -6.412 1.00 0.00 N ATOM 627 CA ASN A 77 5.383 6.566 -6.886 1.00 0.00 C ATOM 628 C ASN A 77 4.559 6.543 -8.168 1.00 0.00 C ATOM 629 O ASN A 77 3.622 7.326 -8.332 1.00 0.00 O ATOM 630 CB ASN A 77 6.694 7.315 -7.125 1.00 0.00 C ATOM 631 CG ASN A 77 6.480 8.760 -7.494 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.347 9.237 -7.576 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.574 9.465 -7.722 1.00 0.00 N ATOM 0 H ASN A 77 6.636 4.944 -6.451 1.00 0.00 H new ATOM 0 HA ASN A 77 4.808 7.083 -6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.307 7.261 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.251 6.820 -7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.502 10.450 -7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.491 9.025 -7.641 1.00 0.00 H new ATOM 640 N ARG A 78 4.915 5.642 -9.073 1.00 0.00 N ATOM 641 CA ARG A 78 4.212 5.515 -10.345 1.00 0.00 C ATOM 642 C ARG A 78 2.914 4.729 -10.181 1.00 0.00 C ATOM 643 O ARG A 78 1.986 4.874 -10.977 1.00 0.00 O ATOM 644 CB ARG A 78 5.109 4.835 -11.381 1.00 0.00 C ATOM 645 CG ARG A 78 5.252 5.622 -12.673 1.00 0.00 C ATOM 646 CD ARG A 78 6.095 6.871 -12.474 1.00 0.00 C ATOM 647 NE ARG A 78 5.275 8.048 -12.201 1.00 0.00 N ATOM 648 CZ ARG A 78 5.763 9.282 -12.085 1.00 0.00 C ATOM 649 NH1 ARG A 78 7.066 9.503 -12.215 1.00 0.00 N ATOM 650 NH2 ARG A 78 4.946 10.296 -11.837 1.00 0.00 N ATOM 0 H ARG A 78 5.687 4.987 -8.951 1.00 0.00 H new ATOM 0 HA ARG A 78 3.962 6.517 -10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.097 4.681 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.704 3.849 -11.609 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.709 4.991 -13.436 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.265 5.903 -13.040 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.788 6.713 -11.648 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.697 7.048 -13.365 1.00 0.00 H new ATOM 0 HE ARG A 78 4.269 7.918 -12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.699 8.726 -12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.434 10.450 -12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.945 10.131 -11.735 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.319 11.241 -11.748 1.00 0.00 H new ATOM 664 N CYS A 79 2.854 3.894 -9.147 1.00 0.00 N ATOM 665 CA CYS A 79 1.670 3.084 -8.887 1.00 0.00 C ATOM 666 C CYS A 79 0.820 3.692 -7.775 1.00 0.00 C ATOM 667 O CYS A 79 1.295 3.898 -6.658 1.00 0.00 O ATOM 668 CB CYS A 79 2.075 1.660 -8.508 1.00 0.00 C ATOM 669 SG CYS A 79 0.931 0.385 -9.084 1.00 0.00 S ATOM 0 H CYS A 79 3.611 3.761 -8.477 1.00 0.00 H new ATOM 0 HA CYS A 79 1.075 3.059 -9.800 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.065 1.455 -8.916 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.158 1.595 -7.423 1.00 0.00 H new ATOM 674 N SER A 80 -0.441 3.970 -8.088 1.00 0.00 N ATOM 675 CA SER A 80 -1.364 4.545 -7.117 1.00 0.00 C ATOM 676 C SER A 80 -2.614 3.681 -6.996 1.00 0.00 C ATOM 677 O SER A 80 -3.738 4.172 -7.110 1.00 0.00 O ATOM 678 CB SER A 80 -1.745 5.969 -7.525 1.00 0.00 C ATOM 679 OG SER A 80 -0.673 6.868 -7.303 1.00 0.00 O ATOM 0 H SER A 80 -0.848 3.806 -9.009 1.00 0.00 H new ATOM 0 HA SER A 80 -0.868 4.579 -6.147 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.026 5.986 -8.578 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.618 6.292 -6.957 1.00 0.00 H new ATOM 0 HG SER A 80 -1.028 7.766 -7.138 1.00 0.00 H new ATOM 685 N TYR A 81 -2.407 2.387 -6.772 1.00 0.00 N ATOM 686 CA TYR A 81 -3.512 1.444 -6.646 1.00 0.00 C ATOM 687 C TYR A 81 -3.877 1.209 -5.183 1.00 0.00 C ATOM 688 O TYR A 81 -3.019 1.260 -4.301 1.00 0.00 O ATOM 689 CB TYR A 81 -3.147 0.117 -7.312 1.00 0.00 C ATOM 690 CG TYR A 81 -3.748 -0.055 -8.689 1.00 0.00 C ATOM 691 CD1 TYR A 81 -3.520 0.881 -9.689 1.00 0.00 C ATOM 692 CD2 TYR A 81 -4.546 -1.153 -8.987 1.00 0.00 C ATOM 693 CE1 TYR A 81 -4.069 0.728 -10.948 1.00 0.00 C ATOM 694 CE2 TYR A 81 -5.098 -1.313 -10.244 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.857 -0.370 -11.220 1.00 0.00 C ATOM 696 OH TYR A 81 -5.405 -0.525 -12.473 1.00 0.00 O ATOM 0 H TYR A 81 -1.482 1.967 -6.674 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.380 1.874 -7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.062 0.044 -7.387 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.479 -0.703 -6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.904 1.743 -9.479 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.738 -1.893 -8.224 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.882 1.465 -11.715 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.715 -2.173 -10.460 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.932 -1.351 -12.500 1.00 0.00 H new ATOM 706 N VAL A 82 -5.156 0.944 -4.938 1.00 0.00 N ATOM 707 CA VAL A 82 -5.643 0.691 -3.587 1.00 0.00 C ATOM 708 C VAL A 82 -5.932 -0.792 -3.384 1.00 0.00 C ATOM 709 O VAL A 82 -6.638 -1.410 -4.182 1.00 0.00 O ATOM 710 CB VAL A 82 -6.923 1.495 -3.287 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.248 1.447 -1.802 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.778 2.932 -3.762 1.00 0.00 C ATOM 0 H VAL A 82 -5.876 0.899 -5.660 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.857 1.009 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.750 1.040 -3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.155 2.020 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.401 0.412 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.421 1.874 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.692 3.482 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.939 3.402 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.599 2.943 -4.837 1.00 0.00 H new ATOM 722 N GLY A 83 -5.383 -1.361 -2.316 1.00 0.00 N ATOM 723 CA GLY A 83 -5.596 -2.769 -2.038 1.00 0.00 C ATOM 724 C GLY A 83 -5.785 -3.052 -0.561 1.00 0.00 C ATOM 725 O GLY A 83 -5.390 -2.254 0.288 1.00 0.00 O ATOM 0 H GLY A 83 -4.796 -0.873 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.473 -3.114 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.745 -3.341 -2.407 1.00 0.00 H new ATOM 729 N CYS A 84 -6.391 -4.194 -0.255 1.00 0.00 N ATOM 730 CA CYS A 84 -6.630 -4.586 1.129 1.00 0.00 C ATOM 731 C CYS A 84 -5.633 -5.655 1.569 1.00 0.00 C ATOM 732 O CYS A 84 -5.255 -6.526 0.786 1.00 0.00 O ATOM 733 CB CYS A 84 -8.062 -5.100 1.299 1.00 0.00 C ATOM 734 SG CYS A 84 -8.575 -6.305 0.052 1.00 0.00 S ATOM 0 H CYS A 84 -6.726 -4.865 -0.947 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.494 -3.707 1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.158 -5.553 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.746 -4.252 1.270 1.00 0.00 H new ATOM 739 N GLY A 85 -5.205 -5.573 2.825 1.00 0.00 N ATOM 740 CA GLY A 85 -4.248 -6.531 3.350 1.00 0.00 C ATOM 741 C GLY A 85 -4.859 -7.896 3.608 1.00 0.00 C ATOM 742 O GLY A 85 -5.974 -8.179 3.171 1.00 0.00 O ATOM 0 H GLY A 85 -5.504 -4.859 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.423 -6.635 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.828 -6.145 4.279 1.00 0.00 H new ATOM 746 N GLU A 86 -4.119 -8.743 4.319 1.00 0.00 N ATOM 747 CA GLU A 86 -4.581 -10.089 4.639 1.00 0.00 C ATOM 748 C GLU A 86 -5.891 -10.057 5.424 1.00 0.00 C ATOM 749 O GLU A 86 -6.616 -11.050 5.476 1.00 0.00 O ATOM 750 CB GLU A 86 -3.513 -10.837 5.441 1.00 0.00 C ATOM 751 CG GLU A 86 -2.611 -11.711 4.586 1.00 0.00 C ATOM 752 CD GLU A 86 -1.976 -12.839 5.375 1.00 0.00 C ATOM 753 OE1 GLU A 86 -1.771 -13.927 4.796 1.00 0.00 O ATOM 754 OE2 GLU A 86 -1.682 -12.635 6.572 1.00 0.00 O ATOM 0 H GLU A 86 -3.194 -8.519 4.685 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.761 -10.611 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.900 -10.113 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.003 -11.459 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.190 -12.129 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.828 -11.096 4.144 1.00 0.00 H new ATOM 761 N SER A 87 -6.189 -8.915 6.036 1.00 0.00 N ATOM 762 CA SER A 87 -7.411 -8.767 6.818 1.00 0.00 C ATOM 763 C SER A 87 -8.651 -8.945 5.943 1.00 0.00 C ATOM 764 O SER A 87 -9.746 -9.190 6.449 1.00 0.00 O ATOM 765 CB SER A 87 -7.445 -7.395 7.493 1.00 0.00 C ATOM 766 OG SER A 87 -6.917 -7.460 8.807 1.00 0.00 O ATOM 0 H SER A 87 -5.603 -8.081 6.006 1.00 0.00 H new ATOM 0 HA SER A 87 -7.416 -9.544 7.582 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.871 -6.681 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.471 -7.028 7.528 1.00 0.00 H new ATOM 0 HG SER A 87 -6.948 -6.570 9.216 1.00 0.00 H new ATOM 772 N GLN A 88 -8.474 -8.823 4.630 1.00 0.00 N ATOM 773 CA GLN A 88 -9.583 -8.972 3.695 1.00 0.00 C ATOM 774 C GLN A 88 -9.292 -10.063 2.669 1.00 0.00 C ATOM 775 O GLN A 88 -9.870 -11.149 2.724 1.00 0.00 O ATOM 776 CB GLN A 88 -9.860 -7.647 2.985 1.00 0.00 C ATOM 777 CG GLN A 88 -10.267 -6.525 3.927 1.00 0.00 C ATOM 778 CD GLN A 88 -11.770 -6.345 4.003 1.00 0.00 C ATOM 779 OE1 GLN A 88 -12.391 -6.636 5.026 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.364 -5.864 2.917 1.00 0.00 N ATOM 0 H GLN A 88 -7.575 -8.622 4.191 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.466 -9.263 4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.968 -7.344 2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.650 -7.797 2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.879 -6.734 4.924 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.809 -5.593 3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.810 -5.636 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.374 -5.722 2.909 1.00 0.00 H new ATOM 789 N VAL A 89 -8.396 -9.768 1.730 1.00 0.00 N ATOM 790 CA VAL A 89 -8.037 -10.731 0.692 1.00 0.00 C ATOM 791 C VAL A 89 -6.552 -10.656 0.340 1.00 0.00 C ATOM 792 O VAL A 89 -6.127 -11.177 -0.691 1.00 0.00 O ATOM 793 CB VAL A 89 -8.865 -10.506 -0.588 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.675 -11.663 -1.558 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.337 -10.321 -0.251 1.00 0.00 C ATOM 0 H VAL A 89 -7.908 -8.875 1.666 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.255 -11.719 1.097 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.510 -9.595 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.267 -11.486 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.622 -11.742 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.999 -12.590 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.903 -10.164 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.709 -11.211 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.455 -9.456 0.401 1.00 0.00 H new ATOM 805 N ASP A 90 -5.763 -10.011 1.198 1.00 0.00 N ATOM 806 CA ASP A 90 -4.327 -9.878 0.967 1.00 0.00 C ATOM 807 C ASP A 90 -4.041 -9.348 -0.436 1.00 0.00 C ATOM 808 O ASP A 90 -3.025 -9.687 -1.046 1.00 0.00 O ATOM 809 CB ASP A 90 -3.634 -11.228 1.163 1.00 0.00 C ATOM 810 CG ASP A 90 -2.219 -11.080 1.686 1.00 0.00 C ATOM 811 OD1 ASP A 90 -1.436 -12.046 1.564 1.00 0.00 O ATOM 812 OD2 ASP A 90 -1.892 -9.998 2.218 1.00 0.00 O ATOM 0 H ASP A 90 -6.094 -9.573 2.058 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.935 -9.162 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.214 -11.834 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.614 -11.764 0.214 1.00 0.00 H new ATOM 817 N HIS A 91 -4.941 -8.507 -0.939 1.00 0.00 N ATOM 818 CA HIS A 91 -4.786 -7.924 -2.266 1.00 0.00 C ATOM 819 C HIS A 91 -3.441 -7.218 -2.393 1.00 0.00 C ATOM 820 O HIS A 91 -2.800 -7.266 -3.443 1.00 0.00 O ATOM 821 CB HIS A 91 -5.923 -6.941 -2.551 1.00 0.00 C ATOM 822 CG HIS A 91 -7.043 -7.535 -3.349 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.325 -7.052 -3.250 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.021 -8.562 -4.232 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.053 -7.790 -4.070 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.306 -8.718 -4.688 1.00 0.00 N ATOM 0 H HIS A 91 -5.785 -8.215 -0.446 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.823 -8.731 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.318 -6.571 -1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.522 -6.081 -3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.159 -9.145 -4.521 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.114 -7.662 -4.223 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.631 -9.407 -5.366 1.00 0.00 H new ATOM 834 N SER A 92 -3.016 -6.571 -1.313 1.00 0.00 N ATOM 835 CA SER A 92 -1.743 -5.863 -1.303 1.00 0.00 C ATOM 836 C SER A 92 -0.595 -6.819 -1.610 1.00 0.00 C ATOM 837 O SER A 92 0.366 -6.456 -2.288 1.00 0.00 O ATOM 838 CB SER A 92 -1.517 -5.192 0.053 1.00 0.00 C ATOM 839 OG SER A 92 -2.509 -4.211 0.308 1.00 0.00 O ATOM 0 H SER A 92 -3.534 -6.523 -0.436 1.00 0.00 H new ATOM 0 HA SER A 92 -1.773 -5.095 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.533 -5.944 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.530 -4.730 0.074 1.00 0.00 H new ATOM 0 HG SER A 92 -3.101 -4.523 1.024 1.00 0.00 H new ATOM 845 N THR A 93 -0.708 -8.048 -1.112 1.00 0.00 N ATOM 846 CA THR A 93 0.319 -9.058 -1.339 1.00 0.00 C ATOM 847 C THR A 93 0.286 -9.538 -2.786 1.00 0.00 C ATOM 848 O THR A 93 1.317 -9.587 -3.458 1.00 0.00 O ATOM 849 CB THR A 93 0.125 -10.239 -0.385 1.00 0.00 C ATOM 850 OG1 THR A 93 0.249 -9.818 0.963 1.00 0.00 O ATOM 851 CG2 THR A 93 1.116 -11.362 -0.609 1.00 0.00 C ATOM 0 H THR A 93 -1.498 -8.366 -0.551 1.00 0.00 H new ATOM 0 HA THR A 93 1.293 -8.608 -1.145 1.00 0.00 H new ATOM 0 HB THR A 93 -0.877 -10.616 -0.592 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.574 -9.363 1.241 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.921 -12.166 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.012 -11.742 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.129 -10.987 -0.464 1.00 0.00 H new ATOM 859 N ILE A 94 -0.905 -9.879 -3.266 1.00 0.00 N ATOM 860 CA ILE A 94 -1.059 -10.341 -4.642 1.00 0.00 C ATOM 861 C ILE A 94 -0.558 -9.282 -5.613 1.00 0.00 C ATOM 862 O ILE A 94 0.255 -9.563 -6.493 1.00 0.00 O ATOM 863 CB ILE A 94 -2.526 -10.679 -4.985 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.203 -11.395 -3.812 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.589 -11.529 -6.247 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.566 -11.968 -4.148 1.00 0.00 C ATOM 0 H ILE A 94 -1.771 -9.845 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.468 -11.252 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.064 -9.749 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.555 -12.201 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.308 -10.695 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.629 -11.761 -6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.146 -10.980 -7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.037 -12.456 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.981 -12.459 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.231 -11.164 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.467 -12.694 -4.955 1.00 0.00 H new ATOM 878 N HIS A 95 -1.039 -8.057 -5.432 1.00 0.00 N ATOM 879 CA HIS A 95 -0.628 -6.946 -6.279 1.00 0.00 C ATOM 880 C HIS A 95 0.878 -6.732 -6.163 1.00 0.00 C ATOM 881 O HIS A 95 1.547 -6.396 -7.140 1.00 0.00 O ATOM 882 CB HIS A 95 -1.377 -5.668 -5.886 1.00 0.00 C ATOM 883 CG HIS A 95 -0.831 -4.425 -6.523 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.449 -3.755 -7.556 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.303 -3.730 -6.253 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.687 -2.699 -7.875 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.388 -2.639 -7.114 1.00 0.00 N ATOM 0 H HIS A 95 -1.713 -7.810 -4.707 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.873 -7.185 -7.314 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.427 -5.774 -6.160 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.341 -5.556 -4.802 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.330 -4.016 -7.999 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.025 -3.983 -5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.923 -1.990 -8.654 1.00 0.00 H new ATOM 895 N SER A 96 1.402 -6.936 -4.958 1.00 0.00 N ATOM 896 CA SER A 96 2.828 -6.773 -4.708 1.00 0.00 C ATOM 897 C SER A 96 3.641 -7.711 -5.596 1.00 0.00 C ATOM 898 O SER A 96 4.665 -7.323 -6.151 1.00 0.00 O ATOM 899 CB SER A 96 3.143 -7.038 -3.233 1.00 0.00 C ATOM 900 OG SER A 96 4.507 -7.381 -3.053 1.00 0.00 O ATOM 0 H SER A 96 0.860 -7.214 -4.140 1.00 0.00 H new ATOM 0 HA SER A 96 3.103 -5.746 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.907 -6.152 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.511 -7.845 -2.863 1.00 0.00 H new ATOM 0 HG SER A 96 4.615 -7.858 -2.204 1.00 0.00 H new ATOM 906 N GLN A 97 3.185 -8.948 -5.729 1.00 0.00 N ATOM 907 CA GLN A 97 3.888 -9.921 -6.555 1.00 0.00 C ATOM 908 C GLN A 97 3.752 -9.577 -8.036 1.00 0.00 C ATOM 909 O GLN A 97 4.739 -9.553 -8.771 1.00 0.00 O ATOM 910 CB GLN A 97 3.349 -11.330 -6.293 1.00 0.00 C ATOM 911 CG GLN A 97 3.911 -11.971 -5.034 1.00 0.00 C ATOM 912 CD GLN A 97 3.366 -11.339 -3.768 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.507 -11.909 -3.096 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.865 -10.153 -3.435 1.00 0.00 N ATOM 0 H GLN A 97 2.339 -9.300 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 97 4.945 -9.890 -6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.263 -11.286 -6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.581 -11.964 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.675 -13.035 -5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.998 -11.885 -5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.576 -9.716 -4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.537 -9.680 -2.593 1.00 0.00 H new ATOM 923 N GLU A 98 2.522 -9.312 -8.465 1.00 0.00 N ATOM 924 CA GLU A 98 2.245 -8.975 -9.859 1.00 0.00 C ATOM 925 C GLU A 98 3.179 -7.883 -10.380 1.00 0.00 C ATOM 926 O GLU A 98 3.754 -8.012 -11.461 1.00 0.00 O ATOM 927 CB GLU A 98 0.790 -8.527 -10.013 1.00 0.00 C ATOM 928 CG GLU A 98 -0.219 -9.600 -9.636 1.00 0.00 C ATOM 929 CD GLU A 98 -1.454 -9.574 -10.516 1.00 0.00 C ATOM 930 OE1 GLU A 98 -2.366 -8.768 -10.233 1.00 0.00 O ATOM 931 OE2 GLU A 98 -1.508 -10.357 -11.486 1.00 0.00 O ATOM 0 H GLU A 98 1.697 -9.324 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 98 2.419 -9.873 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.622 -7.647 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.619 -8.225 -11.046 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.254 -10.580 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.516 -9.465 -8.596 1.00 0.00 H new ATOM 938 N THR A 99 3.317 -6.803 -9.617 1.00 0.00 N ATOM 939 CA THR A 99 4.173 -5.691 -10.022 1.00 0.00 C ATOM 940 C THR A 99 5.459 -5.638 -9.200 1.00 0.00 C ATOM 941 O THR A 99 6.185 -4.645 -9.240 1.00 0.00 O ATOM 942 CB THR A 99 3.419 -4.368 -9.881 1.00 0.00 C ATOM 943 OG1 THR A 99 2.924 -4.212 -8.563 1.00 0.00 O ATOM 944 CG2 THR A 99 2.248 -4.241 -10.830 1.00 0.00 C ATOM 0 H THR A 99 2.850 -6.673 -8.719 1.00 0.00 H new ATOM 0 HA THR A 99 4.445 -5.850 -11.065 1.00 0.00 H new ATOM 0 HB THR A 99 4.147 -3.594 -10.124 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.785 -3.260 -8.376 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.758 -3.279 -10.677 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.604 -4.307 -11.858 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.537 -5.045 -10.640 1.00 0.00 H new ATOM 952 N LYS A 100 5.742 -6.704 -8.458 1.00 0.00 N ATOM 953 CA LYS A 100 6.947 -6.758 -7.636 1.00 0.00 C ATOM 954 C LYS A 100 7.006 -5.585 -6.655 1.00 0.00 C ATOM 955 O LYS A 100 8.078 -5.229 -6.166 1.00 0.00 O ATOM 956 CB LYS A 100 8.193 -6.756 -8.524 1.00 0.00 C ATOM 957 CG LYS A 100 8.300 -7.976 -9.424 1.00 0.00 C ATOM 958 CD LYS A 100 9.561 -8.779 -9.138 1.00 0.00 C ATOM 959 CE LYS A 100 10.608 -8.583 -10.223 1.00 0.00 C ATOM 960 NZ LYS A 100 10.666 -9.743 -11.154 1.00 0.00 N ATOM 0 H LYS A 100 5.157 -7.538 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 100 6.916 -7.682 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.187 -5.858 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.079 -6.702 -7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.425 -8.610 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.299 -7.660 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.974 -8.478 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.310 -9.837 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.383 -7.677 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.585 -8.438 -9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.392 -9.571 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.906 -10.604 -10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.741 -9.866 -11.613 1.00 0.00 H new ATOM 974 N HIS A 101 5.847 -5.000 -6.358 1.00 0.00 N ATOM 975 CA HIS A 101 5.771 -3.886 -5.420 1.00 0.00 C ATOM 976 C HIS A 101 5.636 -4.410 -3.995 1.00 0.00 C ATOM 977 O HIS A 101 4.537 -4.732 -3.546 1.00 0.00 O ATOM 978 CB HIS A 101 4.578 -2.985 -5.753 1.00 0.00 C ATOM 979 CG HIS A 101 4.652 -2.354 -7.108 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.573 -1.699 -7.653 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.687 -2.301 -7.980 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.972 -1.264 -8.834 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.247 -1.604 -9.077 1.00 0.00 N ATOM 0 H HIS A 101 4.950 -5.280 -6.754 1.00 0.00 H new ATOM 0 HA HIS A 101 6.688 -3.302 -5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.662 -3.572 -5.686 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.508 -2.199 -5.001 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.670 -2.726 -7.839 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.351 -0.705 -9.518 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.785 -1.386 -9.916 1.00 0.00 H new ATOM 991 N TYR A 102 6.758 -4.501 -3.288 1.00 0.00 N ATOM 992 CA TYR A 102 6.755 -4.999 -1.915 1.00 0.00 C ATOM 993 C TYR A 102 6.612 -3.861 -0.909 1.00 0.00 C ATOM 994 O TYR A 102 7.048 -3.979 0.236 1.00 0.00 O ATOM 995 CB TYR A 102 8.038 -5.776 -1.631 1.00 0.00 C ATOM 996 CG TYR A 102 8.377 -6.798 -2.690 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.494 -6.642 -3.500 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.580 -7.919 -2.877 1.00 0.00 C ATOM 999 CE1 TYR A 102 9.807 -7.576 -4.469 1.00 0.00 C ATOM 1000 CE2 TYR A 102 7.885 -8.857 -3.843 1.00 0.00 C ATOM 1001 CZ TYR A 102 8.999 -8.681 -4.637 1.00 0.00 C ATOM 1002 OH TYR A 102 9.307 -9.614 -5.602 1.00 0.00 O ATOM 0 H TYR A 102 7.678 -4.238 -3.641 1.00 0.00 H new ATOM 0 HA TYR A 102 5.896 -5.662 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.865 -5.072 -1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.941 -6.281 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.128 -5.777 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.707 -8.060 -2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.679 -7.441 -5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.255 -9.724 -3.976 1.00 0.00 H new ATOM 0 HH TYR A 102 8.639 -10.331 -5.589 1.00 0.00 H new ATOM 1012 N LEU A 103 6.000 -2.762 -1.336 1.00 0.00 N ATOM 1013 CA LEU A 103 5.806 -1.614 -0.462 1.00 0.00 C ATOM 1014 C LEU A 103 4.337 -1.220 -0.406 1.00 0.00 C ATOM 1015 O LEU A 103 3.745 -0.838 -1.416 1.00 0.00 O ATOM 1016 CB LEU A 103 6.646 -0.432 -0.941 1.00 0.00 C ATOM 1017 CG LEU A 103 8.158 -0.630 -0.840 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.560 -0.931 0.596 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.616 -1.746 -1.767 1.00 0.00 C ATOM 0 H LEU A 103 5.631 -2.643 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 103 6.128 -1.893 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.391 -0.222 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.371 0.449 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 103 8.647 0.294 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.640 -1.069 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.268 -0.100 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.061 -1.840 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.695 -1.871 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.119 -2.676 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.362 -1.492 -2.796 1.00 0.00 H new ATOM 1031 N THR A 104 3.751 -1.318 0.781 1.00 0.00 N ATOM 1032 CA THR A 104 2.348 -0.974 0.968 1.00 0.00 C ATOM 1033 C THR A 104 2.150 -0.183 2.256 1.00 0.00 C ATOM 1034 O THR A 104 2.694 -0.538 3.301 1.00 0.00 O ATOM 1035 CB THR A 104 1.492 -2.240 0.994 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.142 -1.927 1.287 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.958 -3.258 2.012 1.00 0.00 C ATOM 0 H THR A 104 4.225 -1.633 1.627 1.00 0.00 H new ATOM 0 HA THR A 104 2.036 -0.351 0.130 1.00 0.00 H new ATOM 0 HB THR A 104 1.590 -2.674 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.416 -2.719 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.307 -4.131 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.981 -3.559 1.784 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.923 -2.818 3.009 1.00 0.00 H new ATOM 1045 N VAL A 105 1.374 0.892 2.174 1.00 0.00 N ATOM 1046 CA VAL A 105 1.113 1.730 3.337 1.00 0.00 C ATOM 1047 C VAL A 105 -0.377 1.787 3.654 1.00 0.00 C ATOM 1048 O VAL A 105 -1.196 2.107 2.792 1.00 0.00 O ATOM 1049 CB VAL A 105 1.642 3.165 3.127 1.00 0.00 C ATOM 1050 CG1 VAL A 105 0.930 3.839 1.964 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.491 3.984 4.400 1.00 0.00 C ATOM 0 H VAL A 105 0.916 1.202 1.317 1.00 0.00 H new ATOM 0 HA VAL A 105 1.640 1.277 4.177 1.00 0.00 H new ATOM 0 HB VAL A 105 2.703 3.104 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.319 4.849 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.099 3.266 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.139 3.886 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.870 4.992 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.438 4.034 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.057 3.514 5.204 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.719 1.479 4.902 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.110 1.500 5.341 1.00 0.00 C ATOM 1063 C ASN A 106 -2.556 2.929 5.620 1.00 0.00 C ATOM 1064 O ASN A 106 -1.945 3.632 6.419 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.288 0.640 6.595 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.227 0.913 7.641 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.159 2.007 8.203 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.389 -0.083 7.909 1.00 0.00 N ATOM 0 H ASN A 106 -0.052 1.212 5.626 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.729 1.088 4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.273 0.827 7.023 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.257 -0.413 6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.347 0.043 8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.482 -0.973 7.420 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.617 3.356 4.946 1.00 0.00 N ATOM 1076 CA LEU A 107 -4.136 4.709 5.118 1.00 0.00 C ATOM 1077 C LEU A 107 -4.839 4.881 6.464 1.00 0.00 C ATOM 1078 O LEU A 107 -5.067 6.003 6.914 1.00 0.00 O ATOM 1079 CB LEU A 107 -5.100 5.044 3.981 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.618 4.631 2.588 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.693 3.838 1.862 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.212 5.854 1.778 1.00 0.00 C ATOM 0 H LEU A 107 -4.135 2.787 4.276 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.289 5.395 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.055 4.558 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.283 6.119 3.983 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.743 3.992 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.331 3.554 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.931 2.941 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.589 4.450 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.872 5.540 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.068 6.521 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.405 6.378 2.290 1.00 0.00 H new ATOM 1094 N THR A 108 -5.195 3.766 7.095 1.00 0.00 N ATOM 1095 CA THR A 108 -5.888 3.802 8.379 1.00 0.00 C ATOM 1096 C THR A 108 -4.918 3.992 9.545 1.00 0.00 C ATOM 1097 O THR A 108 -5.292 4.530 10.588 1.00 0.00 O ATOM 1098 CB THR A 108 -6.697 2.518 8.569 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.909 1.878 7.324 1.00 0.00 O ATOM 1100 CG2 THR A 108 -8.050 2.751 9.205 1.00 0.00 C ATOM 0 H THR A 108 -5.015 2.827 6.739 1.00 0.00 H new ATOM 0 HA THR A 108 -6.561 4.660 8.371 1.00 0.00 H new ATOM 0 HB THR A 108 -6.105 1.895 9.240 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.227 1.187 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.571 1.799 9.311 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.917 3.203 10.188 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.638 3.419 8.575 1.00 0.00 H new ATOM 1108 N THR A 109 -3.678 3.548 9.372 1.00 0.00 N ATOM 1109 CA THR A 109 -2.669 3.674 10.424 1.00 0.00 C ATOM 1110 C THR A 109 -1.501 4.558 9.984 1.00 0.00 C ATOM 1111 O THR A 109 -0.655 4.930 10.797 1.00 0.00 O ATOM 1112 CB THR A 109 -2.152 2.294 10.834 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.989 1.270 10.325 1.00 0.00 O ATOM 1114 CG2 THR A 109 -2.066 2.111 12.334 1.00 0.00 C ATOM 0 H THR A 109 -3.346 3.099 8.518 1.00 0.00 H new ATOM 0 HA THR A 109 -3.147 4.150 11.280 1.00 0.00 H new ATOM 0 HB THR A 109 -1.148 2.226 10.415 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.639 0.396 10.597 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.693 1.112 12.558 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.388 2.854 12.753 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.056 2.235 12.773 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.456 4.889 8.697 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.392 5.725 8.154 1.00 0.00 C ATOM 1124 C LEU A 110 0.973 5.067 8.339 1.00 0.00 C ATOM 1125 O LEU A 110 1.989 5.751 8.470 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.405 7.102 8.820 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.588 7.995 8.440 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.595 9.260 9.283 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -1.543 8.338 6.957 1.00 0.00 C ATOM 0 H LEU A 110 -2.147 4.589 8.009 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.571 5.845 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.405 6.966 9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.519 7.621 8.564 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.510 7.448 8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.443 9.882 8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.677 8.994 10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.669 9.812 9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.392 8.974 6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.616 8.865 6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.589 7.421 6.370 1.00 0.00 H new ATOM 1141 N ARG A 111 0.991 3.738 8.345 1.00 0.00 N ATOM 1142 CA ARG A 111 2.233 2.990 8.512 1.00 0.00 C ATOM 1143 C ARG A 111 2.571 2.203 7.248 1.00 0.00 C ATOM 1144 O ARG A 111 1.700 1.581 6.641 1.00 0.00 O ATOM 1145 CB ARG A 111 2.125 2.039 9.705 1.00 0.00 C ATOM 1146 CG ARG A 111 2.157 2.747 11.051 1.00 0.00 C ATOM 1147 CD ARG A 111 2.925 1.943 12.087 1.00 0.00 C ATOM 1148 NE ARG A 111 4.319 2.365 12.184 1.00 0.00 N ATOM 1149 CZ ARG A 111 5.105 2.098 13.225 1.00 0.00 C ATOM 1150 NH1 ARG A 111 4.638 1.407 14.258 1.00 0.00 N ATOM 1151 NH2 ARG A 111 6.361 2.520 13.233 1.00 0.00 N ATOM 0 H ARG A 111 0.160 3.157 8.236 1.00 0.00 H new ATOM 0 HA ARG A 111 3.034 3.705 8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.198 1.471 9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.944 1.321 9.662 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.618 3.728 10.936 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.138 2.913 11.400 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.445 2.052 13.059 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.884 0.885 11.828 1.00 0.00 H new ATOM 0 HE ARG A 111 4.714 2.896 11.408 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.673 1.078 14.257 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.245 1.205 15.053 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.726 3.050 12.441 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.963 2.315 14.031 1.00 0.00 H new ATOM 1165 N VAL A 112 3.843 2.235 6.858 1.00 0.00 N ATOM 1166 CA VAL A 112 4.297 1.524 5.666 1.00 0.00 C ATOM 1167 C VAL A 112 4.815 0.133 6.020 1.00 0.00 C ATOM 1168 O VAL A 112 5.322 -0.089 7.120 1.00 0.00 O ATOM 1169 CB VAL A 112 5.406 2.303 4.935 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.714 1.660 3.592 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.007 3.760 4.758 1.00 0.00 C ATOM 0 H VAL A 112 4.577 2.745 7.350 1.00 0.00 H new ATOM 0 HA VAL A 112 3.435 1.430 5.006 1.00 0.00 H new ATOM 0 HB VAL A 112 6.310 2.269 5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.500 2.224 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.047 0.634 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 112 4.816 1.660 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.803 4.295 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.090 3.817 4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.842 4.213 5.735 1.00 0.00 H new ATOM 1181 N TRP A 113 4.680 -0.802 5.085 1.00 0.00 N ATOM 1182 CA TRP A 113 5.131 -2.173 5.304 1.00 0.00 C ATOM 1183 C TRP A 113 5.957 -2.682 4.125 1.00 0.00 C ATOM 1184 O TRP A 113 5.694 -2.340 2.971 1.00 0.00 O ATOM 1185 CB TRP A 113 3.930 -3.093 5.536 1.00 0.00 C ATOM 1186 CG TRP A 113 4.314 -4.520 5.787 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.465 -5.504 4.853 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.592 -5.123 7.056 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.822 -6.682 5.463 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.907 -6.475 6.815 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.608 -4.652 8.372 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.233 -7.358 7.841 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 4.931 -5.531 9.390 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.241 -6.869 9.119 1.00 0.00 C ATOM 0 H TRP A 113 4.263 -0.636 4.169 1.00 0.00 H new ATOM 0 HA TRP A 113 5.766 -2.178 6.190 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.357 -2.723 6.387 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.274 -3.048 4.667 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.324 -5.375 3.790 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.996 -7.567 4.987 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.373 -3.621 8.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.471 -8.391 7.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 4.944 -5.179 10.411 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.492 -7.529 9.936 1.00 0.00 H new ATOM 1205 N CYS A 114 6.955 -3.508 4.434 1.00 0.00 N ATOM 1206 CA CYS A 114 7.830 -4.083 3.416 1.00 0.00 C ATOM 1207 C CYS A 114 7.688 -5.606 3.384 1.00 0.00 C ATOM 1208 O CYS A 114 8.053 -6.291 4.342 1.00 0.00 O ATOM 1209 CB CYS A 114 9.284 -3.701 3.699 1.00 0.00 C ATOM 1210 SG CYS A 114 10.425 -4.094 2.355 1.00 0.00 S ATOM 0 H CYS A 114 7.178 -3.795 5.387 1.00 0.00 H new ATOM 0 HA CYS A 114 7.538 -3.686 2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.334 -2.631 3.903 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.614 -4.214 4.603 1.00 0.00 H new ATOM 1215 N TYR A 115 7.144 -6.124 2.284 1.00 0.00 N ATOM 1216 CA TYR A 115 6.940 -7.563 2.131 1.00 0.00 C ATOM 1217 C TYR A 115 8.264 -8.310 1.984 1.00 0.00 C ATOM 1218 O TYR A 115 8.449 -9.380 2.565 1.00 0.00 O ATOM 1219 CB TYR A 115 6.053 -7.850 0.916 1.00 0.00 C ATOM 1220 CG TYR A 115 4.578 -7.632 1.173 1.00 0.00 C ATOM 1221 CD1 TYR A 115 3.783 -6.973 0.245 1.00 0.00 C ATOM 1222 CD2 TYR A 115 3.982 -8.090 2.341 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.435 -6.773 0.475 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.635 -7.895 2.578 1.00 0.00 C ATOM 1225 CZ TYR A 115 1.866 -7.236 1.642 1.00 0.00 C ATOM 1226 OH TYR A 115 0.523 -7.040 1.874 1.00 0.00 O ATOM 0 H TYR A 115 6.837 -5.568 1.486 1.00 0.00 H new ATOM 0 HA TYR A 115 6.447 -7.918 3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.367 -7.212 0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.209 -8.881 0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.225 -6.611 -0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.581 -8.607 3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.830 -6.257 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.187 -8.257 3.491 1.00 0.00 H new ATOM 0 HH TYR A 115 0.281 -7.428 2.741 1.00 0.00 H new ATOM 1236 N ALA A 116 9.179 -7.749 1.199 1.00 0.00 N ATOM 1237 CA ALA A 116 10.476 -8.374 0.974 1.00 0.00 C ATOM 1238 C ALA A 116 11.237 -8.538 2.283 1.00 0.00 C ATOM 1239 O ALA A 116 11.691 -9.632 2.618 1.00 0.00 O ATOM 1240 CB ALA A 116 11.292 -7.556 -0.014 1.00 0.00 C ATOM 0 H ALA A 116 9.046 -6.864 0.709 1.00 0.00 H new ATOM 0 HA ALA A 116 10.307 -9.366 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.258 -8.035 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.758 -7.493 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.445 -6.553 0.383 1.00 0.00 H new ATOM 1246 N CYS A 117 11.366 -7.444 3.020 1.00 0.00 N ATOM 1247 CA CYS A 117 12.062 -7.459 4.298 1.00 0.00 C ATOM 1248 C CYS A 117 11.257 -8.231 5.336 1.00 0.00 C ATOM 1249 O CYS A 117 11.817 -8.833 6.252 1.00 0.00 O ATOM 1250 CB CYS A 117 12.310 -6.031 4.786 1.00 0.00 C ATOM 1251 SG CYS A 117 13.806 -5.273 4.115 1.00 0.00 S ATOM 0 H CYS A 117 10.996 -6.532 2.753 1.00 0.00 H new ATOM 0 HA CYS A 117 13.022 -7.956 4.159 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.452 -5.413 4.521 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.375 -6.036 5.874 1.00 0.00 H new ATOM 1256 N SER A 118 9.934 -8.203 5.187 1.00 0.00 N ATOM 1257 CA SER A 118 9.036 -8.892 6.107 1.00 0.00 C ATOM 1258 C SER A 118 8.915 -8.122 7.417 1.00 0.00 C ATOM 1259 O SER A 118 9.123 -8.674 8.497 1.00 0.00 O ATOM 1260 CB SER A 118 9.525 -10.319 6.377 1.00 0.00 C ATOM 1261 OG SER A 118 9.991 -10.933 5.188 1.00 0.00 O ATOM 0 H SER A 118 9.460 -7.707 4.433 1.00 0.00 H new ATOM 0 HA SER A 118 8.052 -8.945 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.325 -10.298 7.117 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.714 -10.910 6.801 1.00 0.00 H new ATOM 0 HG SER A 118 10.299 -11.842 5.388 1.00 0.00 H new ATOM 1267 N LYS A 119 8.579 -6.840 7.310 1.00 0.00 N ATOM 1268 CA LYS A 119 8.433 -5.991 8.488 1.00 0.00 C ATOM 1269 C LYS A 119 7.956 -4.595 8.102 1.00 0.00 C ATOM 1270 O LYS A 119 7.855 -4.267 6.919 1.00 0.00 O ATOM 1271 CB LYS A 119 9.761 -5.898 9.241 1.00 0.00 C ATOM 1272 CG LYS A 119 10.948 -5.585 8.344 1.00 0.00 C ATOM 1273 CD LYS A 119 11.144 -4.087 8.181 1.00 0.00 C ATOM 1274 CE LYS A 119 12.256 -3.569 9.079 1.00 0.00 C ATOM 1275 NZ LYS A 119 13.603 -3.961 8.579 1.00 0.00 N ATOM 0 H LYS A 119 8.403 -6.368 6.423 1.00 0.00 H new ATOM 0 HA LYS A 119 7.683 -6.442 9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.682 -5.127 10.007 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.944 -6.841 9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.851 -6.027 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.796 -6.042 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.380 -3.861 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.214 -3.570 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.195 -2.483 9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.117 -3.956 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.255 -4.063 9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.535 -4.866 8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.960 -3.228 7.933 1.00 0.00 H new ATOM 1289 N GLU A 120 7.665 -3.776 9.108 1.00 0.00 N ATOM 1290 CA GLU A 120 7.200 -2.415 8.875 1.00 0.00 C ATOM 1291 C GLU A 120 8.376 -1.459 8.709 1.00 0.00 C ATOM 1292 O GLU A 120 9.375 -1.558 9.422 1.00 0.00 O ATOM 1293 CB GLU A 120 6.312 -1.953 10.033 1.00 0.00 C ATOM 1294 CG GLU A 120 7.042 -1.869 11.364 1.00 0.00 C ATOM 1295 CD GLU A 120 6.118 -2.069 12.549 1.00 0.00 C ATOM 1296 OE1 GLU A 120 6.279 -1.347 13.556 1.00 0.00 O ATOM 1297 OE2 GLU A 120 5.234 -2.947 12.471 1.00 0.00 O ATOM 0 H GLU A 120 7.743 -4.032 10.092 1.00 0.00 H new ATOM 0 HA GLU A 120 6.618 -2.409 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.897 -0.974 9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.472 -2.640 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.829 -2.622 11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.528 -0.897 11.447 1.00 0.00 H new ATOM 1304 N VAL A 121 8.252 -0.535 7.762 1.00 0.00 N ATOM 1305 CA VAL A 121 9.305 0.439 7.499 1.00 0.00 C ATOM 1306 C VAL A 121 8.725 1.836 7.308 1.00 0.00 C ATOM 1307 O VAL A 121 7.513 2.032 7.394 1.00 0.00 O ATOM 1308 CB VAL A 121 10.121 0.058 6.251 1.00 0.00 C ATOM 1309 CG1 VAL A 121 11.006 -1.146 6.537 1.00 0.00 C ATOM 1310 CG2 VAL A 121 9.199 -0.218 5.073 1.00 0.00 C ATOM 0 H VAL A 121 7.432 -0.440 7.163 1.00 0.00 H new ATOM 0 HA VAL A 121 9.963 0.438 8.368 1.00 0.00 H new ATOM 0 HB VAL A 121 10.764 0.899 5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.575 -1.400 5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.693 -0.908 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.385 -1.994 6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.794 -0.486 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.528 -1.041 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.613 0.674 4.853 1.00 0.00 H new ATOM 1320 N PHE A 122 9.598 2.804 7.048 1.00 0.00 N ATOM 1321 CA PHE A 122 9.170 4.183 6.844 1.00 0.00 C ATOM 1322 C PHE A 122 9.644 4.705 5.491 1.00 0.00 C ATOM 1323 O PHE A 122 10.724 4.346 5.019 1.00 0.00 O ATOM 1324 CB PHE A 122 9.705 5.078 7.964 1.00 0.00 C ATOM 1325 CG PHE A 122 11.157 4.849 8.274 1.00 0.00 C ATOM 1326 CD1 PHE A 122 12.127 5.700 7.772 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.550 3.783 9.069 1.00 0.00 C ATOM 1328 CE1 PHE A 122 13.464 5.492 8.055 1.00 0.00 C ATOM 1329 CE2 PHE A 122 12.885 3.571 9.355 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.843 4.427 8.848 1.00 0.00 C ATOM 0 H PHE A 122 10.605 2.659 6.974 1.00 0.00 H new ATOM 0 HA PHE A 122 8.080 4.204 6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.562 6.122 7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 122 9.118 4.907 8.866 1.00 0.00 H new ATOM 0 HD1 PHE A 122 11.836 6.535 7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.805 3.111 9.469 1.00 0.00 H new ATOM 0 HE1 PHE A 122 14.211 6.162 7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.179 2.737 9.974 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.887 4.264 9.071 1.00 0.00 H new ATOM 1340 N LEU A 123 8.831 5.554 4.872 1.00 0.00 N ATOM 1341 CA LEU A 123 9.167 6.125 3.572 1.00 0.00 C ATOM 1342 C LEU A 123 10.006 7.388 3.734 1.00 0.00 C ATOM 1343 O LEU A 123 9.926 8.072 4.754 1.00 0.00 O ATOM 1344 CB LEU A 123 7.894 6.441 2.786 1.00 0.00 C ATOM 1345 CG LEU A 123 8.123 7.032 1.394 1.00 0.00 C ATOM 1346 CD1 LEU A 123 8.710 5.985 0.459 1.00 0.00 C ATOM 1347 CD2 LEU A 123 6.822 7.584 0.828 1.00 0.00 C ATOM 0 H LEU A 123 7.935 5.862 5.249 1.00 0.00 H new ATOM 0 HA LEU A 123 9.753 5.390 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.311 5.525 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.291 7.140 3.366 1.00 0.00 H new ATOM 0 HG LEU A 123 8.836 7.852 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 123 8.866 6.424 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.663 5.636 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.022 5.144 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.004 8.000 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 123 6.088 6.782 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.442 8.366 1.486 1.00 0.00 H new ATOM 1359 N ASP A 124 10.811 7.692 2.721 1.00 0.00 N ATOM 1360 CA ASP A 124 11.664 8.874 2.750 1.00 0.00 C ATOM 1361 C ASP A 124 10.886 10.119 2.338 1.00 0.00 C ATOM 1362 O ASP A 124 10.173 10.114 1.333 1.00 0.00 O ATOM 1363 CB ASP A 124 12.869 8.683 1.827 1.00 0.00 C ATOM 1364 CG ASP A 124 12.462 8.314 0.414 1.00 0.00 C ATOM 1365 OD1 ASP A 124 12.437 7.105 0.100 1.00 0.00 O ATOM 1366 OD2 ASP A 124 12.166 9.233 -0.378 1.00 0.00 O ATOM 0 H ASP A 124 10.890 7.136 1.870 1.00 0.00 H new ATOM 0 HA ASP A 124 12.016 9.010 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 124 13.456 9.601 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 124 13.513 7.903 2.232 1.00 0.00 H new ATOM 1371 N ARG A 125 11.025 11.185 3.120 1.00 0.00 N ATOM 1372 CA ARG A 125 10.335 12.438 2.836 1.00 0.00 C ATOM 1373 C ARG A 125 11.077 13.243 1.773 1.00 0.00 C ATOM 1374 O ARG A 125 10.478 14.050 1.063 1.00 0.00 O ATOM 1375 CB ARG A 125 10.192 13.265 4.117 1.00 0.00 C ATOM 1376 CG ARG A 125 8.765 13.335 4.638 1.00 0.00 C ATOM 1377 CD ARG A 125 8.273 14.771 4.735 1.00 0.00 C ATOM 1378 NE ARG A 125 6.822 14.844 4.889 1.00 0.00 N ATOM 1379 CZ ARG A 125 5.960 14.648 3.893 1.00 0.00 C ATOM 1380 NH1 ARG A 125 6.399 14.367 2.672 1.00 0.00 N ATOM 1381 NH2 ARG A 125 4.657 14.734 4.119 1.00 0.00 N ATOM 0 H ARG A 125 11.610 11.206 3.956 1.00 0.00 H new ATOM 0 HA ARG A 125 9.343 12.199 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 125 10.832 12.838 4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 125 10.552 14.277 3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.108 12.769 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.712 12.865 5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.752 15.262 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 125 8.570 15.317 3.840 1.00 0.00 H new ATOM 0 HE ARG A 125 6.447 15.058 5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.401 14.300 2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.734 14.218 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.315 14.950 5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.996 14.584 3.357 1.00 0.00 H new ATOM 1395 N LYS A 126 12.384 13.020 1.670 1.00 0.00 N ATOM 1396 CA LYS A 126 13.206 13.728 0.694 1.00 0.00 C ATOM 1397 C LYS A 126 13.176 15.232 0.946 1.00 0.00 C ATOM 1398 O LYS A 126 12.237 15.752 1.546 1.00 0.00 O ATOM 1399 CB LYS A 126 12.723 13.427 -0.727 1.00 0.00 C ATOM 1400 CG LYS A 126 13.049 12.017 -1.194 1.00 0.00 C ATOM 1401 CD LYS A 126 13.716 12.018 -2.560 1.00 0.00 C ATOM 1402 CE LYS A 126 15.220 11.827 -2.446 1.00 0.00 C ATOM 1403 NZ LYS A 126 15.955 12.557 -3.516 1.00 0.00 N ATOM 0 H LYS A 126 12.896 12.355 2.250 1.00 0.00 H new ATOM 0 HA LYS A 126 14.233 13.380 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 126 11.644 13.576 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 126 13.175 14.142 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 126 13.705 11.536 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 126 12.134 11.427 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 126 13.293 11.223 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 126 13.505 12.959 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 126 15.557 12.177 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 126 15.456 10.764 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 16.977 12.401 -3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 15.652 12.206 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 15.750 13.574 -3.446 1.00 0.00 H new ATOM 1417 N LEU A 127 14.212 15.925 0.483 1.00 0.00 N ATOM 1418 CA LEU A 127 14.305 17.370 0.658 1.00 0.00 C ATOM 1419 C LEU A 127 14.334 17.736 2.139 1.00 0.00 C ATOM 1420 O LEU A 127 13.875 16.971 2.987 1.00 0.00 O ATOM 1421 CB LEU A 127 13.128 18.065 -0.030 1.00 0.00 C ATOM 1422 CG LEU A 127 13.369 18.451 -1.490 1.00 0.00 C ATOM 1423 CD1 LEU A 127 12.047 18.677 -2.208 1.00 0.00 C ATOM 1424 CD2 LEU A 127 14.243 19.693 -1.574 1.00 0.00 C ATOM 0 H LEU A 127 14.998 15.509 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 127 15.234 17.709 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 127 12.259 17.408 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 127 12.878 18.965 0.532 1.00 0.00 H new ATOM 0 HG LEU A 127 13.890 17.630 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 127 12.239 18.951 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 127 11.455 17.762 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 127 11.499 19.480 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 127 14.405 19.954 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 127 13.749 20.521 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 127 15.203 19.495 -1.097 1.00 0.00 H new ATOM 1436 N GLY A 128 14.876 18.911 2.442 1.00 0.00 N ATOM 1437 CA GLY A 128 14.956 19.357 3.820 1.00 0.00 C ATOM 1438 C GLY A 128 16.242 18.927 4.496 1.00 0.00 C ATOM 1439 O GLY A 128 16.942 19.746 5.093 1.00 0.00 O ATOM 0 H GLY A 128 15.261 19.562 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.879 20.444 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 128 14.107 18.961 4.377 1.00 0.00 H new ATOM 1443 N THR A 129 16.556 17.640 4.402 1.00 0.00 N ATOM 1444 CA THR A 129 17.767 17.102 5.009 1.00 0.00 C ATOM 1445 C THR A 129 19.011 17.743 4.401 1.00 0.00 C ATOM 1446 O THR A 129 20.016 17.941 5.081 1.00 0.00 O ATOM 1447 CB THR A 129 17.823 15.584 4.829 1.00 0.00 C ATOM 1448 OG1 THR A 129 16.531 15.017 4.955 1.00 0.00 O ATOM 1449 CG2 THR A 129 18.726 14.895 5.829 1.00 0.00 C ATOM 0 H THR A 129 15.988 16.950 3.911 1.00 0.00 H new ATOM 0 HA THR A 129 17.743 17.334 6.074 1.00 0.00 H new ATOM 0 HB THR A 129 18.229 15.426 3.830 1.00 0.00 H new ATOM 0 HG1 THR A 129 16.587 14.046 4.835 1.00 0.00 H new ATOM 0 HG21 THR A 129 18.720 13.821 5.645 1.00 0.00 H new ATOM 0 HG22 THR A 129 19.742 15.275 5.724 1.00 0.00 H new ATOM 0 HG23 THR A 129 18.367 15.092 6.839 1.00 0.00 H new ATOM 1457 N GLN A 130 18.933 18.066 3.113 1.00 0.00 N ATOM 1458 CA GLN A 130 20.051 18.686 2.411 1.00 0.00 C ATOM 1459 C GLN A 130 21.281 17.785 2.443 1.00 0.00 C ATOM 1460 O GLN A 130 21.974 17.767 3.483 1.00 0.00 O ATOM 1461 CB GLN A 130 20.382 20.043 3.035 1.00 0.00 C ATOM 1462 CG GLN A 130 19.471 21.167 2.568 1.00 0.00 C ATOM 1463 CD GLN A 130 19.738 22.473 3.291 1.00 0.00 C ATOM 1464 OE1 GLN A 130 19.924 22.496 4.507 1.00 0.00 O ATOM 1465 NE2 GLN A 130 19.758 23.569 2.542 1.00 0.00 N ATOM 1466 OXT GLN A 130 21.541 17.104 1.430 1.00 0.00 O ATOM 0 H GLN A 130 18.107 17.908 2.535 1.00 0.00 H new ATOM 0 HA GLN A 130 19.758 18.833 1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 130 20.316 19.960 4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 130 21.414 20.301 2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 130 19.604 21.316 1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 130 18.432 20.876 2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 130 19.599 23.503 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 130 19.933 24.477 2.972 1.00 0.00 H new TER 1475 GLN A 130 HETATM 1476 ZN ZN A 131 12.734 -4.148 2.516 1.00 0.00 ZN HETATM 1477 ZN ZN A 132 -9.378 -5.767 -2.068 1.00 0.00 ZN HETATM 1478 ZN ZN A 133 1.638 -1.041 -7.355 1.00 0.00 ZN