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= -3.21 K(o=-4.7,f=-14!) USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= -1.54 USER MOD Set 2.1: A 96 SER OG : rot 170:sc= 0.219 USER MOD Set 2.2: A 97 GLN : amide:sc= -7.25! C(o=-7!,f=-9.7!) USER MOD Set 3.1: A 93 THR OG1 : rot 179:sc= 0.623! USER MOD Set 3.2: A 115 TYR OH : rot -57:sc= 1.16 USER MOD Set 4.1: A 92 SER OG : rot 80:sc= 1.06 USER MOD Set 4.2: A 104 THR OG1 : rot 142:sc= 0.109 USER MOD Set 5.1: A 70 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.8!) USER MOD Set 5.2: A 87 SER OG : rot -45:sc= 0 USER MOD Set 6.1: A 55 GLN : amide:sc= 0 X(o=-2.7,f=-2.8) USER MOD Set 6.2: A 62 GLN : amide:sc= -2.66 K(o=-2.7,f=-7.7!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.57) USER MOD Single : A 44 SER OG : rot 180:sc= 0 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 56 LYS NZ :NH3+ -141:sc= -2.01 (180deg=-5.64!) USER MOD Single : A 57 SER OG : rot -6:sc= 0.661 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.7!) USER MOD Single : A 77 ASN : amide:sc= -0.413 K(o=-0.41,f=-1.1!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -3.18! C(o=-3.2!,f=-8!) USER MOD Single : A 99 THR OG1 : rot 154:sc= 0.672 USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.0063 (180deg=-0.131) USER MOD Single : A 102 TYR OH : rot -170:sc= -0.418 USER MOD Single : A 108 THR OG1 : rot -140:sc= 0.27 USER MOD Single : A 118 SER OG : rot -32:sc=-0.00944 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.314 K(o=-0.31,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 36 25.255 -0.117 4.950 1.00 0.00 N ATOM 2 CA ARG A 36 23.785 -0.308 4.838 1.00 0.00 C ATOM 3 C ARG A 36 23.069 0.172 6.097 1.00 0.00 C ATOM 4 O ARG A 36 23.596 0.060 7.204 1.00 0.00 O ATOM 5 CB ARG A 36 23.504 -1.794 4.602 1.00 0.00 C ATOM 6 CG ARG A 36 23.034 -2.107 3.190 1.00 0.00 C ATOM 7 CD ARG A 36 23.945 -3.112 2.505 1.00 0.00 C ATOM 8 NE ARG A 36 23.760 -4.464 3.026 1.00 0.00 N ATOM 9 CZ ARG A 36 22.744 -5.256 2.688 1.00 0.00 C ATOM 10 NH1 ARG A 36 21.822 -4.836 1.831 1.00 0.00 N ATOM 11 NH2 ARG A 36 22.651 -6.473 3.209 1.00 0.00 N ATOM 0 HA ARG A 36 23.409 0.283 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.410 -2.364 4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 36 22.747 -2.129 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 36 22.018 -2.500 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 36 23.001 -1.188 2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 36 23.749 -3.107 1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 36 24.984 -2.811 2.640 1.00 0.00 H new ATOM 0 HE ARG A 36 24.449 -4.822 3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.889 -3.902 1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 36 21.046 -5.447 1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.357 -6.801 3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.873 -7.080 2.951 1.00 0.00 H new ATOM 27 N ASN A 37 21.867 0.708 5.918 1.00 0.00 N ATOM 28 CA ASN A 37 21.078 1.206 7.038 1.00 0.00 C ATOM 29 C ASN A 37 19.590 1.187 6.704 1.00 0.00 C ATOM 30 O ASN A 37 18.783 0.626 7.445 1.00 0.00 O ATOM 31 CB ASN A 37 21.516 2.627 7.406 1.00 0.00 C ATOM 32 CG ASN A 37 22.191 2.691 8.763 1.00 0.00 C ATOM 33 OD1 ASN A 37 23.414 2.598 8.866 1.00 0.00 O ATOM 34 ND2 ASN A 37 21.393 2.850 9.814 1.00 0.00 N ATOM 0 H ASN A 37 21.418 0.809 5.008 1.00 0.00 H new ATOM 0 HA ASN A 37 21.248 0.550 7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 37 22.200 3.002 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 37 20.646 3.284 7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 37 21.789 2.899 10.753 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.384 2.923 9.682 1.00 0.00 H new ATOM 41 N HIS A 38 19.233 1.805 5.582 1.00 0.00 N ATOM 42 CA HIS A 38 17.843 1.860 5.149 1.00 0.00 C ATOM 43 C HIS A 38 17.498 0.661 4.271 1.00 0.00 C ATOM 44 O HIS A 38 18.356 -0.168 3.970 1.00 0.00 O ATOM 45 CB HIS A 38 17.576 3.158 4.386 1.00 0.00 C ATOM 46 CG HIS A 38 16.239 3.763 4.684 1.00 0.00 C ATOM 47 ND1 HIS A 38 15.808 4.949 4.130 1.00 0.00 N ATOM 48 CD2 HIS A 38 15.233 3.337 5.486 1.00 0.00 C ATOM 49 CE1 HIS A 38 14.597 5.228 4.578 1.00 0.00 C ATOM 50 NE2 HIS A 38 14.226 4.265 5.401 1.00 0.00 N ATOM 0 H HIS A 38 19.888 2.274 4.957 1.00 0.00 H new ATOM 0 HA HIS A 38 17.211 1.831 6.037 1.00 0.00 H new ATOM 0 HB2 HIS A 38 18.355 3.880 4.630 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.647 2.962 3.316 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.225 2.436 6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.010 6.096 4.316 1.00 0.00 H new ATOM 0 HE2 HIS A 38 13.334 4.218 5.894 1.00 0.00 H new ATOM 59 N CYS A 39 16.235 0.576 3.864 1.00 0.00 N ATOM 60 CA CYS A 39 15.777 -0.521 3.021 1.00 0.00 C ATOM 61 C CYS A 39 15.725 -0.085 1.551 1.00 0.00 C ATOM 62 O CYS A 39 15.206 0.986 1.230 1.00 0.00 O ATOM 63 CB CYS A 39 14.404 -1.014 3.506 1.00 0.00 C ATOM 64 SG CYS A 39 13.294 -1.601 2.202 1.00 0.00 S ATOM 0 H CYS A 39 15.512 1.254 4.105 1.00 0.00 H new ATOM 0 HA CYS A 39 16.484 -1.347 3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.557 -1.822 4.222 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.912 -0.202 4.042 1.00 0.00 H new ATOM 69 N PRO A 40 16.271 -0.914 0.639 1.00 0.00 N ATOM 70 CA PRO A 40 16.296 -0.608 -0.798 1.00 0.00 C ATOM 71 C PRO A 40 14.910 -0.624 -1.439 1.00 0.00 C ATOM 72 O PRO A 40 14.565 0.269 -2.212 1.00 0.00 O ATOM 73 CB PRO A 40 17.160 -1.729 -1.384 1.00 0.00 C ATOM 74 CG PRO A 40 17.035 -2.851 -0.413 1.00 0.00 C ATOM 75 CD PRO A 40 16.913 -2.208 0.938 1.00 0.00 C ATOM 0 HA PRO A 40 16.677 0.396 -0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.810 -2.022 -2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.198 -1.413 -1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.162 -3.465 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.905 -3.506 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.309 -2.810 1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.886 -2.075 1.410 1.00 0.00 H new ATOM 83 N HIS A 41 14.125 -1.649 -1.121 1.00 0.00 N ATOM 84 CA HIS A 41 12.780 -1.792 -1.673 1.00 0.00 C ATOM 85 C HIS A 41 12.007 -0.473 -1.614 1.00 0.00 C ATOM 86 O HIS A 41 11.515 0.013 -2.632 1.00 0.00 O ATOM 87 CB HIS A 41 12.021 -2.889 -0.923 1.00 0.00 C ATOM 88 CG HIS A 41 12.846 -4.113 -0.657 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.294 -4.416 0.606 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.285 -5.060 -1.521 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.992 -5.530 0.486 1.00 0.00 C ATOM 92 NE2 HIS A 41 14.015 -5.959 -0.787 1.00 0.00 N ATOM 0 H HIS A 41 14.398 -2.396 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 41 12.873 -2.073 -2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.663 -2.489 0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.142 -3.172 -1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 41 13.096 -5.099 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.482 -6.033 1.307 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.485 -6.793 -1.139 1.00 0.00 H new ATOM 100 N LEU A 42 11.911 0.103 -0.420 1.00 0.00 N ATOM 101 CA LEU A 42 11.208 1.366 -0.234 1.00 0.00 C ATOM 102 C LEU A 42 12.022 2.528 -0.797 1.00 0.00 C ATOM 103 O LEU A 42 11.472 3.453 -1.393 1.00 0.00 O ATOM 104 CB LEU A 42 10.921 1.603 1.251 1.00 0.00 C ATOM 105 CG LEU A 42 12.154 1.636 2.154 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.712 3.049 2.247 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.812 1.105 3.539 1.00 0.00 C ATOM 0 H LEU A 42 12.312 -0.286 0.434 1.00 0.00 H new ATOM 0 HA LEU A 42 10.263 1.310 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.388 2.548 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.252 0.819 1.605 1.00 0.00 H new ATOM 0 HG LEU A 42 12.919 0.994 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.589 3.052 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.994 3.395 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.953 3.713 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.700 1.135 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.031 1.722 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.459 0.077 3.458 1.00 0.00 H new ATOM 119 N ASP A 43 13.335 2.473 -0.602 1.00 0.00 N ATOM 120 CA ASP A 43 14.226 3.521 -1.091 1.00 0.00 C ATOM 121 C ASP A 43 14.083 3.715 -2.600 1.00 0.00 C ATOM 122 O ASP A 43 14.430 4.770 -3.132 1.00 0.00 O ATOM 123 CB ASP A 43 15.678 3.186 -0.744 1.00 0.00 C ATOM 124 CG ASP A 43 16.148 3.885 0.516 1.00 0.00 C ATOM 125 OD1 ASP A 43 16.392 5.109 0.460 1.00 0.00 O ATOM 126 OD2 ASP A 43 16.270 3.209 1.559 1.00 0.00 O ATOM 0 H ASP A 43 13.807 1.715 -0.109 1.00 0.00 H new ATOM 0 HA ASP A 43 13.944 4.453 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.779 2.108 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.322 3.471 -1.576 1.00 0.00 H new ATOM 131 N SER A 44 13.578 2.695 -3.288 1.00 0.00 N ATOM 132 CA SER A 44 13.404 2.762 -4.734 1.00 0.00 C ATOM 133 C SER A 44 12.129 3.516 -5.101 1.00 0.00 C ATOM 134 O SER A 44 12.125 4.336 -6.019 1.00 0.00 O ATOM 135 CB SER A 44 13.364 1.354 -5.331 1.00 0.00 C ATOM 136 OG SER A 44 12.931 1.381 -6.679 1.00 0.00 O ATOM 0 H SER A 44 13.283 1.814 -2.868 1.00 0.00 H new ATOM 0 HA SER A 44 14.255 3.303 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.355 0.904 -5.274 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.694 0.726 -4.744 1.00 0.00 H new ATOM 0 HG SER A 44 12.916 0.469 -7.036 1.00 0.00 H new ATOM 142 N VAL A 45 11.049 3.233 -4.381 1.00 0.00 N ATOM 143 CA VAL A 45 9.771 3.885 -4.635 1.00 0.00 C ATOM 144 C VAL A 45 9.839 5.374 -4.312 1.00 0.00 C ATOM 145 O VAL A 45 10.682 5.813 -3.530 1.00 0.00 O ATOM 146 CB VAL A 45 8.638 3.240 -3.816 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.459 1.781 -4.208 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.909 3.367 -2.325 1.00 0.00 C ATOM 0 H VAL A 45 11.034 2.557 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 45 9.556 3.758 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 45 7.712 3.771 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.654 1.342 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.210 1.717 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.385 1.237 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.095 2.904 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.846 2.867 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.980 4.421 -2.057 1.00 0.00 H new ATOM 158 N GLY A 46 8.943 6.147 -4.920 1.00 0.00 N ATOM 159 CA GLY A 46 8.919 7.579 -4.685 1.00 0.00 C ATOM 160 C GLY A 46 8.095 7.953 -3.469 1.00 0.00 C ATOM 161 O GLY A 46 8.285 7.397 -2.387 1.00 0.00 O ATOM 0 H GLY A 46 8.234 5.807 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.939 7.940 -4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.514 8.082 -5.563 1.00 0.00 H new ATOM 165 N GLU A 47 7.176 8.898 -3.645 1.00 0.00 N ATOM 166 CA GLU A 47 6.321 9.346 -2.552 1.00 0.00 C ATOM 167 C GLU A 47 4.896 9.591 -3.039 1.00 0.00 C ATOM 168 O GLU A 47 4.665 9.809 -4.229 1.00 0.00 O ATOM 169 CB GLU A 47 6.886 10.622 -1.925 1.00 0.00 C ATOM 170 CG GLU A 47 6.530 10.789 -0.457 1.00 0.00 C ATOM 171 CD GLU A 47 7.015 12.106 0.115 1.00 0.00 C ATOM 172 OE1 GLU A 47 6.290 13.114 -0.022 1.00 0.00 O ATOM 173 OE2 GLU A 47 8.118 12.131 0.698 1.00 0.00 O ATOM 0 H GLU A 47 7.005 9.368 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 47 6.296 8.559 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.971 10.618 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.516 11.484 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.448 10.723 -0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.964 9.968 0.114 1.00 0.00 H new ATOM 180 N ILE A 48 3.946 9.556 -2.111 1.00 0.00 N ATOM 181 CA ILE A 48 2.543 9.776 -2.442 1.00 0.00 C ATOM 182 C ILE A 48 2.053 11.109 -1.882 1.00 0.00 C ATOM 183 O ILE A 48 2.470 11.530 -0.803 1.00 0.00 O ATOM 184 CB ILE A 48 1.655 8.634 -1.904 1.00 0.00 C ATOM 185 CG1 ILE A 48 0.236 8.753 -2.464 1.00 0.00 C ATOM 186 CG2 ILE A 48 1.636 8.637 -0.381 1.00 0.00 C ATOM 187 CD1 ILE A 48 -0.353 7.429 -2.897 1.00 0.00 C ATOM 0 H ILE A 48 4.122 9.377 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 48 2.467 9.796 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 48 2.077 7.685 -2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.409 9.199 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.245 9.434 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.004 7.824 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.650 8.501 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.240 9.588 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.360 7.588 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.270 6.991 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.395 6.753 -2.043 1.00 0.00 H new ATOM 199 N THR A 49 1.170 11.771 -2.623 1.00 0.00 N ATOM 200 CA THR A 49 0.631 13.058 -2.198 1.00 0.00 C ATOM 201 C THR A 49 -0.690 12.886 -1.455 1.00 0.00 C ATOM 202 O THR A 49 -1.362 11.861 -1.584 1.00 0.00 O ATOM 203 CB THR A 49 0.434 13.973 -3.407 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.643 13.519 -4.207 1.00 0.00 O ATOM 205 CG2 THR A 49 1.657 14.067 -4.293 1.00 0.00 C ATOM 0 H THR A 49 0.813 11.438 -3.519 1.00 0.00 H new ATOM 0 HA THR A 49 1.349 13.513 -1.515 1.00 0.00 H new ATOM 0 HB THR A 49 0.230 14.960 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.755 14.118 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.449 14.732 -5.131 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.494 14.461 -3.717 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.910 13.076 -4.670 1.00 0.00 H new ATOM 213 N LYS A 50 -1.057 13.901 -0.678 1.00 0.00 N ATOM 214 CA LYS A 50 -2.298 13.870 0.086 1.00 0.00 C ATOM 215 C LYS A 50 -3.505 13.809 -0.842 1.00 0.00 C ATOM 216 O LYS A 50 -4.546 13.255 -0.487 1.00 0.00 O ATOM 217 CB LYS A 50 -2.396 15.103 0.988 1.00 0.00 C ATOM 218 CG LYS A 50 -1.123 15.388 1.770 1.00 0.00 C ATOM 219 CD LYS A 50 -0.734 16.857 1.689 1.00 0.00 C ATOM 220 CE LYS A 50 -0.320 17.400 3.048 1.00 0.00 C ATOM 221 NZ LYS A 50 -0.812 18.789 3.263 1.00 0.00 N ATOM 0 H LYS A 50 -0.512 14.755 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.293 12.973 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.639 15.972 0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.220 14.966 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.265 15.105 2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.311 14.774 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.087 16.979 0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.574 17.436 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.710 16.751 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.767 17.383 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.509 19.123 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.420 19.414 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.851 18.802 3.210 1.00 0.00 H new ATOM 235 N GLU A 51 -3.361 14.381 -2.034 1.00 0.00 N ATOM 236 CA GLU A 51 -4.442 14.390 -3.012 1.00 0.00 C ATOM 237 C GLU A 51 -4.867 12.968 -3.363 1.00 0.00 C ATOM 238 O GLU A 51 -6.056 12.654 -3.391 1.00 0.00 O ATOM 239 CB GLU A 51 -4.007 15.134 -4.277 1.00 0.00 C ATOM 240 CG GLU A 51 -5.114 15.969 -4.903 1.00 0.00 C ATOM 241 CD GLU A 51 -5.553 15.440 -6.254 1.00 0.00 C ATOM 242 OE1 GLU A 51 -4.864 15.723 -7.256 1.00 0.00 O ATOM 243 OE2 GLU A 51 -6.587 14.741 -6.310 1.00 0.00 O ATOM 0 H GLU A 51 -2.507 14.844 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.295 14.907 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.166 15.784 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.651 14.410 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.971 15.991 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.769 16.997 -5.014 1.00 0.00 H new ATOM 250 N ASP A 52 -3.887 12.111 -3.628 1.00 0.00 N ATOM 251 CA ASP A 52 -4.162 10.721 -3.972 1.00 0.00 C ATOM 252 C ASP A 52 -4.623 9.940 -2.746 1.00 0.00 C ATOM 253 O ASP A 52 -5.582 9.170 -2.813 1.00 0.00 O ATOM 254 CB ASP A 52 -2.917 10.065 -4.571 1.00 0.00 C ATOM 255 CG ASP A 52 -2.686 10.475 -6.012 1.00 0.00 C ATOM 256 OD1 ASP A 52 -3.195 11.541 -6.415 1.00 0.00 O ATOM 257 OD2 ASP A 52 -1.992 9.730 -6.736 1.00 0.00 O ATOM 0 H ASP A 52 -2.897 12.354 -3.611 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.962 10.707 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.045 10.334 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.018 8.981 -4.516 1.00 0.00 H new ATOM 262 N LEU A 53 -3.932 10.139 -1.629 1.00 0.00 N ATOM 263 CA LEU A 53 -4.269 9.447 -0.390 1.00 0.00 C ATOM 264 C LEU A 53 -5.696 9.760 0.052 1.00 0.00 C ATOM 265 O LEU A 53 -6.361 8.923 0.660 1.00 0.00 O ATOM 266 CB LEU A 53 -3.282 9.826 0.720 1.00 0.00 C ATOM 267 CG LEU A 53 -1.841 9.349 0.511 1.00 0.00 C ATOM 268 CD1 LEU A 53 -1.065 9.403 1.819 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.814 7.938 -0.064 1.00 0.00 C ATOM 0 H LEU A 53 -3.136 10.773 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.200 8.376 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.276 10.911 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.648 9.419 1.663 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.364 10.019 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.044 9.061 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.048 10.428 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.547 8.759 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.780 7.622 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.313 7.255 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.330 7.927 -1.024 1.00 0.00 H new ATOM 281 N ILE A 54 -6.162 10.968 -0.253 1.00 0.00 N ATOM 282 CA ILE A 54 -7.513 11.377 0.123 1.00 0.00 C ATOM 283 C ILE A 54 -8.557 10.423 -0.458 1.00 0.00 C ATOM 284 O ILE A 54 -9.492 10.017 0.230 1.00 0.00 O ATOM 285 CB ILE A 54 -7.809 12.833 -0.322 1.00 0.00 C ATOM 286 CG1 ILE A 54 -8.629 13.554 0.750 1.00 0.00 C ATOM 287 CG2 ILE A 54 -8.529 12.878 -1.665 1.00 0.00 C ATOM 288 CD1 ILE A 54 -7.791 14.389 1.692 1.00 0.00 C ATOM 0 H ILE A 54 -5.629 11.677 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.573 11.336 1.211 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.855 13.345 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.363 14.196 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.185 12.816 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.718 13.915 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.908 12.407 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.476 12.344 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.438 14.871 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.074 13.749 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.256 15.150 1.125 1.00 0.00 H new ATOM 300 N GLN A 55 -8.385 10.066 -1.726 1.00 0.00 N ATOM 301 CA GLN A 55 -9.308 9.155 -2.393 1.00 0.00 C ATOM 302 C GLN A 55 -9.184 7.752 -1.819 1.00 0.00 C ATOM 303 O GLN A 55 -10.182 7.067 -1.603 1.00 0.00 O ATOM 304 CB GLN A 55 -9.042 9.136 -3.899 1.00 0.00 C ATOM 305 CG GLN A 55 -10.170 8.516 -4.708 1.00 0.00 C ATOM 306 CD GLN A 55 -9.811 7.150 -5.260 1.00 0.00 C ATOM 307 OE1 GLN A 55 -8.819 6.997 -5.972 1.00 0.00 O ATOM 308 NE2 GLN A 55 -10.618 6.148 -4.931 1.00 0.00 N ATOM 0 H GLN A 55 -7.617 10.393 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.324 9.510 -2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.878 10.157 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.122 8.583 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.057 8.428 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.428 9.180 -5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.430 6.321 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.426 5.206 -5.271 1.00 0.00 H new ATOM 317 N LYS A 56 -7.952 7.337 -1.561 1.00 0.00 N ATOM 318 CA LYS A 56 -7.697 6.021 -0.995 1.00 0.00 C ATOM 319 C LYS A 56 -8.194 5.969 0.444 1.00 0.00 C ATOM 320 O LYS A 56 -8.637 4.926 0.925 1.00 0.00 O ATOM 321 CB LYS A 56 -6.203 5.697 -1.050 1.00 0.00 C ATOM 322 CG LYS A 56 -5.566 5.975 -2.401 1.00 0.00 C ATOM 323 CD LYS A 56 -4.050 5.902 -2.328 1.00 0.00 C ATOM 324 CE LYS A 56 -3.430 5.772 -3.710 1.00 0.00 C ATOM 325 NZ LYS A 56 -3.532 4.383 -4.236 1.00 0.00 N ATOM 0 H LYS A 56 -7.114 7.892 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.234 5.277 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.686 6.280 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.059 4.646 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.931 5.253 -3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.867 6.963 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.665 6.796 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.755 5.051 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.927 6.458 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.382 6.068 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.656 4.137 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.674 3.722 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.338 4.318 -4.890 1.00 0.00 H new ATOM 339 N SER A 57 -8.115 7.110 1.123 1.00 0.00 N ATOM 340 CA SER A 57 -8.552 7.215 2.509 1.00 0.00 C ATOM 341 C SER A 57 -10.074 7.134 2.621 1.00 0.00 C ATOM 342 O SER A 57 -10.609 6.977 3.720 1.00 0.00 O ATOM 343 CB SER A 57 -8.051 8.521 3.128 1.00 0.00 C ATOM 344 OG SER A 57 -8.621 9.647 2.484 1.00 0.00 O ATOM 0 H SER A 57 -7.750 7.978 0.732 1.00 0.00 H new ATOM 0 HA SER A 57 -8.126 6.373 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.299 8.542 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.965 8.568 3.054 1.00 0.00 H new ATOM 0 HG SER A 57 -9.149 9.351 1.714 1.00 0.00 H new ATOM 350 N LEU A 58 -10.774 7.243 1.492 1.00 0.00 N ATOM 351 CA LEU A 58 -12.231 7.181 1.504 1.00 0.00 C ATOM 352 C LEU A 58 -12.710 5.826 2.024 1.00 0.00 C ATOM 353 O LEU A 58 -13.854 5.688 2.456 1.00 0.00 O ATOM 354 CB LEU A 58 -12.789 7.431 0.101 1.00 0.00 C ATOM 355 CG LEU A 58 -12.956 8.903 -0.275 1.00 0.00 C ATOM 356 CD1 LEU A 58 -13.019 9.064 -1.785 1.00 0.00 C ATOM 357 CD2 LEU A 58 -14.203 9.481 0.377 1.00 0.00 C ATOM 0 H LEU A 58 -10.360 7.373 0.569 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.598 7.960 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.128 6.959 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.758 6.938 0.019 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.090 9.453 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.138 10.119 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.098 8.688 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.867 8.501 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.306 10.530 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.080 8.928 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.118 9.400 1.461 1.00 0.00 H new ATOM 369 N GLY A 59 -11.824 4.833 1.998 1.00 0.00 N ATOM 370 CA GLY A 59 -12.174 3.513 2.491 1.00 0.00 C ATOM 371 C GLY A 59 -12.787 2.617 1.432 1.00 0.00 C ATOM 372 O GLY A 59 -13.844 2.028 1.651 1.00 0.00 O ATOM 0 H GLY A 59 -10.871 4.920 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.280 3.033 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.875 3.617 3.319 1.00 0.00 H new ATOM 376 N THR A 60 -12.121 2.499 0.287 1.00 0.00 N ATOM 377 CA THR A 60 -12.615 1.650 -0.793 1.00 0.00 C ATOM 378 C THR A 60 -11.461 0.976 -1.527 1.00 0.00 C ATOM 379 O THR A 60 -10.436 1.601 -1.802 1.00 0.00 O ATOM 380 CB THR A 60 -13.453 2.471 -1.774 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.691 3.535 -2.317 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.694 3.067 -1.146 1.00 0.00 C ATOM 0 H THR A 60 -11.243 2.977 0.083 1.00 0.00 H new ATOM 0 HA THR A 60 -13.242 0.874 -0.354 1.00 0.00 H new ATOM 0 HB THR A 60 -13.759 1.770 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.244 4.047 -2.943 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.243 3.637 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.327 2.267 -0.762 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.407 3.727 -0.327 1.00 0.00 H new ATOM 390 N CYS A 61 -11.636 -0.303 -1.852 1.00 0.00 N ATOM 391 CA CYS A 61 -10.610 -1.058 -2.562 1.00 0.00 C ATOM 392 C CYS A 61 -10.759 -0.889 -4.070 1.00 0.00 C ATOM 393 O CYS A 61 -11.871 -0.908 -4.600 1.00 0.00 O ATOM 394 CB CYS A 61 -10.678 -2.541 -2.187 1.00 0.00 C ATOM 395 SG CYS A 61 -9.294 -3.522 -2.818 1.00 0.00 S ATOM 0 H CYS A 61 -12.478 -0.836 -1.635 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.637 -0.667 -2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.708 -2.630 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.610 -2.959 -2.567 1.00 0.00 H new ATOM 400 N GLN A 62 -9.635 -0.721 -4.758 1.00 0.00 N ATOM 401 CA GLN A 62 -9.645 -0.546 -6.206 1.00 0.00 C ATOM 402 C GLN A 62 -9.861 -1.878 -6.920 1.00 0.00 C ATOM 403 O GLN A 62 -10.426 -1.922 -8.013 1.00 0.00 O ATOM 404 CB GLN A 62 -8.333 0.092 -6.672 1.00 0.00 C ATOM 405 CG GLN A 62 -8.531 1.328 -7.533 1.00 0.00 C ATOM 406 CD GLN A 62 -7.600 2.461 -7.149 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.384 2.281 -7.068 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.167 3.637 -6.908 1.00 0.00 N ATOM 0 H GLN A 62 -8.706 -0.702 -4.337 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.474 0.115 -6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.738 0.359 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.760 -0.645 -7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.368 1.068 -8.579 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.564 1.666 -7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.179 3.741 -6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.591 4.436 -6.644 1.00 0.00 H new ATOM 417 N ASP A 63 -9.403 -2.960 -6.299 1.00 0.00 N ATOM 418 CA ASP A 63 -9.543 -4.292 -6.882 1.00 0.00 C ATOM 419 C ASP A 63 -10.956 -4.834 -6.686 1.00 0.00 C ATOM 420 O ASP A 63 -11.611 -5.248 -7.642 1.00 0.00 O ATOM 421 CB ASP A 63 -8.527 -5.251 -6.260 1.00 0.00 C ATOM 422 CG ASP A 63 -7.097 -4.789 -6.462 1.00 0.00 C ATOM 423 OD1 ASP A 63 -6.587 -4.046 -5.598 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.488 -5.171 -7.483 1.00 0.00 O ATOM 0 H ASP A 63 -8.933 -2.942 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.353 -4.211 -7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.728 -5.347 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.651 -6.242 -6.698 1.00 0.00 H new ATOM 429 N CYS A 64 -11.419 -4.831 -5.440 1.00 0.00 N ATOM 430 CA CYS A 64 -12.754 -5.326 -5.120 1.00 0.00 C ATOM 431 C CYS A 64 -13.563 -4.273 -4.371 1.00 0.00 C ATOM 432 O CYS A 64 -13.116 -3.138 -4.198 1.00 0.00 O ATOM 433 CB CYS A 64 -12.657 -6.605 -4.285 1.00 0.00 C ATOM 434 SG CYS A 64 -11.837 -6.385 -2.688 1.00 0.00 S ATOM 0 H CYS A 64 -10.891 -4.492 -4.636 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.266 -5.548 -6.056 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.662 -6.992 -4.115 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.117 -7.360 -4.857 1.00 0.00 H new ATOM 439 N LYS A 65 -14.755 -4.655 -3.927 1.00 0.00 N ATOM 440 CA LYS A 65 -15.629 -3.745 -3.195 1.00 0.00 C ATOM 441 C LYS A 65 -15.522 -3.985 -1.693 1.00 0.00 C ATOM 442 O LYS A 65 -15.925 -5.035 -1.191 1.00 0.00 O ATOM 443 CB LYS A 65 -17.080 -3.919 -3.654 1.00 0.00 C ATOM 444 CG LYS A 65 -17.728 -2.627 -4.125 1.00 0.00 C ATOM 445 CD LYS A 65 -18.740 -2.882 -5.232 1.00 0.00 C ATOM 446 CE LYS A 65 -18.589 -1.881 -6.365 1.00 0.00 C ATOM 447 NZ LYS A 65 -19.425 -0.668 -6.150 1.00 0.00 N ATOM 0 H LYS A 65 -15.139 -5.590 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.312 -2.723 -3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.111 -4.648 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.666 -4.331 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -18.222 -2.139 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.959 -1.943 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -18.611 -3.893 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.749 -2.823 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.543 -1.589 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.870 -2.353 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.293 -0.010 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -20.426 -0.943 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -19.140 -0.202 -5.265 1.00 0.00 H new ATOM 461 N VAL A 66 -14.971 -3.008 -0.980 1.00 0.00 N ATOM 462 CA VAL A 66 -14.807 -3.116 0.465 1.00 0.00 C ATOM 463 C VAL A 66 -14.780 -1.740 1.120 1.00 0.00 C ATOM 464 O VAL A 66 -13.958 -0.894 0.773 1.00 0.00 O ATOM 465 CB VAL A 66 -13.512 -3.868 0.823 1.00 0.00 C ATOM 466 CG1 VAL A 66 -13.417 -4.095 2.324 1.00 0.00 C ATOM 467 CG2 VAL A 66 -13.438 -5.189 0.072 1.00 0.00 C ATOM 0 H VAL A 66 -14.631 -2.133 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.663 -3.676 0.842 1.00 0.00 H new ATOM 0 HB VAL A 66 -12.664 -3.253 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -12.494 -4.628 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -13.419 -3.134 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -14.270 -4.686 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -12.516 -5.707 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.293 -5.809 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -13.451 -4.999 -1.001 1.00 0.00 H new ATOM 477 N GLN A 67 -15.682 -1.523 2.072 1.00 0.00 N ATOM 478 CA GLN A 67 -15.753 -0.249 2.776 1.00 0.00 C ATOM 479 C GLN A 67 -14.977 -0.306 4.085 1.00 0.00 C ATOM 480 O GLN A 67 -15.447 -0.868 5.075 1.00 0.00 O ATOM 481 CB GLN A 67 -17.204 0.134 3.052 1.00 0.00 C ATOM 482 CG GLN A 67 -18.116 -0.021 1.846 1.00 0.00 C ATOM 483 CD GLN A 67 -19.175 1.062 1.773 1.00 0.00 C ATOM 484 OE1 GLN A 67 -19.184 1.992 2.580 1.00 0.00 O ATOM 485 NE2 GLN A 67 -20.073 0.948 0.802 1.00 0.00 N ATOM 0 H GLN A 67 -16.372 -2.211 2.373 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.302 0.510 2.136 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.585 -0.483 3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.239 1.169 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.516 0.001 0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.601 -0.996 1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -20.028 0.161 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.808 1.648 0.703 1.00 0.00 H new ATOM 494 N GLY A 68 -13.787 0.283 4.082 1.00 0.00 N ATOM 495 CA GLY A 68 -12.951 0.296 5.273 1.00 0.00 C ATOM 496 C GLY A 68 -12.815 -1.076 5.914 1.00 0.00 C ATOM 497 O GLY A 68 -13.345 -2.060 5.397 1.00 0.00 O ATOM 0 H GLY A 68 -13.383 0.755 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.961 0.669 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.372 0.991 5.999 1.00 0.00 H new ATOM 501 N PRO A 69 -12.104 -1.178 7.052 1.00 0.00 N ATOM 502 CA PRO A 69 -11.455 -0.053 7.707 1.00 0.00 C ATOM 503 C PRO A 69 -10.004 0.114 7.271 1.00 0.00 C ATOM 504 O PRO A 69 -9.660 1.058 6.559 1.00 0.00 O ATOM 505 CB PRO A 69 -11.531 -0.436 9.188 1.00 0.00 C ATOM 506 CG PRO A 69 -11.722 -1.929 9.226 1.00 0.00 C ATOM 507 CD PRO A 69 -11.875 -2.412 7.802 1.00 0.00 C ATOM 0 HA PRO A 69 -11.930 0.898 7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -10.620 -0.147 9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.358 0.075 9.680 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -10.869 -2.411 9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.603 -2.186 9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.983 -2.934 7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.709 -3.106 7.700 1.00 0.00 H new ATOM 515 N ASN A 70 -9.157 -0.813 7.703 1.00 0.00 N ATOM 516 CA ASN A 70 -7.739 -0.779 7.364 1.00 0.00 C ATOM 517 C ASN A 70 -7.529 -1.046 5.878 1.00 0.00 C ATOM 518 O ASN A 70 -7.678 -2.177 5.414 1.00 0.00 O ATOM 519 CB ASN A 70 -6.972 -1.810 8.193 1.00 0.00 C ATOM 520 CG ASN A 70 -7.456 -3.225 7.948 1.00 0.00 C ATOM 521 OD1 ASN A 70 -6.949 -3.924 7.070 1.00 0.00 O ATOM 522 ND2 ASN A 70 -8.443 -3.657 8.725 1.00 0.00 N ATOM 0 H ASN A 70 -9.429 -1.601 8.291 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.359 0.217 7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.910 -1.746 7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.077 -1.571 9.251 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.810 -4.601 8.606 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.834 -3.044 9.441 1.00 0.00 H new ATOM 529 N LEU A 71 -7.182 0.000 5.134 1.00 0.00 N ATOM 530 CA LEU A 71 -6.953 -0.127 3.699 1.00 0.00 C ATOM 531 C LEU A 71 -5.490 0.134 3.354 1.00 0.00 C ATOM 532 O LEU A 71 -4.850 1.015 3.929 1.00 0.00 O ATOM 533 CB LEU A 71 -7.856 0.838 2.928 1.00 0.00 C ATOM 534 CG LEU A 71 -9.058 0.184 2.245 1.00 0.00 C ATOM 535 CD1 LEU A 71 -9.889 1.227 1.516 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.597 -0.900 1.282 1.00 0.00 C ATOM 0 H LEU A 71 -7.053 0.943 5.500 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.196 -1.149 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.218 1.602 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.258 1.347 2.172 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.681 -0.278 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.740 0.744 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.248 1.969 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.276 1.717 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.465 -1.355 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.953 -0.460 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.043 -1.662 1.830 1.00 0.00 H new ATOM 548 N TRP A 72 -4.968 -0.642 2.408 1.00 0.00 N ATOM 549 CA TRP A 72 -3.581 -0.500 1.982 1.00 0.00 C ATOM 550 C TRP A 72 -3.497 0.091 0.578 1.00 0.00 C ATOM 551 O TRP A 72 -4.345 -0.179 -0.272 1.00 0.00 O ATOM 552 CB TRP A 72 -2.876 -1.858 2.017 1.00 0.00 C ATOM 553 CG TRP A 72 -2.878 -2.492 3.374 1.00 0.00 C ATOM 554 CD1 TRP A 72 -3.952 -3.018 4.033 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.751 -2.667 4.239 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.561 -3.510 5.254 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.215 -3.306 5.405 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.394 -2.345 4.142 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.370 -3.630 6.463 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.444 -2.667 5.193 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.046 -3.303 6.340 1.00 0.00 C ATOM 0 H TRP A 72 -5.485 -1.375 1.923 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.084 0.181 2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.361 -2.530 1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.846 -1.733 1.683 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -4.961 -3.043 3.650 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.173 -3.955 5.938 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.007 -1.853 3.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.745 -4.121 7.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.494 -2.424 5.128 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.634 -3.541 7.144 1.00 0.00 H new ATOM 572 N ALA A 73 -2.467 0.897 0.344 1.00 0.00 N ATOM 573 CA ALA A 73 -2.269 1.524 -0.957 1.00 0.00 C ATOM 574 C ALA A 73 -0.829 1.352 -1.428 1.00 0.00 C ATOM 575 O ALA A 73 0.112 1.517 -0.651 1.00 0.00 O ATOM 576 CB ALA A 73 -2.634 3.000 -0.892 1.00 0.00 C ATOM 0 H ALA A 73 -1.757 1.131 1.038 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.923 1.033 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.481 3.456 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.680 3.104 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.003 3.499 -0.157 1.00 0.00 H new ATOM 582 N CYS A 74 -0.661 1.019 -2.705 1.00 0.00 N ATOM 583 CA CYS A 74 0.670 0.824 -3.272 1.00 0.00 C ATOM 584 C CYS A 74 1.537 2.062 -3.063 1.00 0.00 C ATOM 585 O CYS A 74 1.108 3.186 -3.321 1.00 0.00 O ATOM 586 CB CYS A 74 0.573 0.494 -4.762 1.00 0.00 C ATOM 587 SG CYS A 74 2.106 -0.161 -5.466 1.00 0.00 S ATOM 0 H CYS A 74 -1.427 0.879 -3.364 1.00 0.00 H new ATOM 0 HA CYS A 74 1.138 -0.014 -2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.225 -0.233 -4.912 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.290 1.395 -5.306 1.00 0.00 H new ATOM 592 N LEU A 75 2.757 1.845 -2.582 1.00 0.00 N ATOM 593 CA LEU A 75 3.687 2.940 -2.324 1.00 0.00 C ATOM 594 C LEU A 75 4.458 3.338 -3.582 1.00 0.00 C ATOM 595 O LEU A 75 5.086 4.396 -3.621 1.00 0.00 O ATOM 596 CB LEU A 75 4.665 2.546 -1.216 1.00 0.00 C ATOM 597 CG LEU A 75 5.262 3.715 -0.431 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.184 4.417 0.383 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.389 3.231 0.474 1.00 0.00 C ATOM 0 H LEU A 75 3.126 0.920 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 75 3.102 3.803 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.152 1.885 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.479 1.972 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 75 5.676 4.431 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.627 5.246 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.413 4.798 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.740 3.711 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.802 4.076 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.000 2.495 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.172 2.775 -0.132 1.00 0.00 H new ATOM 611 N GLU A 76 4.411 2.492 -4.609 1.00 0.00 N ATOM 612 CA GLU A 76 5.111 2.775 -5.859 1.00 0.00 C ATOM 613 C GLU A 76 4.700 4.135 -6.419 1.00 0.00 C ATOM 614 O GLU A 76 3.517 4.472 -6.450 1.00 0.00 O ATOM 615 CB GLU A 76 4.830 1.677 -6.888 1.00 0.00 C ATOM 616 CG GLU A 76 6.063 1.238 -7.660 1.00 0.00 C ATOM 617 CD GLU A 76 6.840 0.147 -6.948 1.00 0.00 C ATOM 618 OE1 GLU A 76 6.252 -0.529 -6.078 1.00 0.00 O ATOM 619 OE2 GLU A 76 8.035 -0.031 -7.260 1.00 0.00 O ATOM 0 H GLU A 76 3.899 1.610 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 76 6.180 2.799 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.404 0.813 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.079 2.034 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.762 0.881 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.714 2.098 -7.818 1.00 0.00 H new ATOM 626 N ASN A 77 5.685 4.914 -6.855 1.00 0.00 N ATOM 627 CA ASN A 77 5.424 6.239 -7.408 1.00 0.00 C ATOM 628 C ASN A 77 4.642 6.144 -8.713 1.00 0.00 C ATOM 629 O ASN A 77 3.760 6.958 -8.982 1.00 0.00 O ATOM 630 CB ASN A 77 6.739 6.984 -7.642 1.00 0.00 C ATOM 631 CG ASN A 77 6.527 8.408 -8.089 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.396 8.873 -8.224 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.626 9.107 -8.321 1.00 0.00 N ATOM 0 H ASN A 77 6.670 4.651 -6.836 1.00 0.00 H new ATOM 0 HA ASN A 77 4.822 6.792 -6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.324 6.979 -6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.324 6.454 -8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.558 10.078 -8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.541 8.675 -8.194 1.00 0.00 H new ATOM 640 N ARG A 78 4.974 5.144 -9.521 1.00 0.00 N ATOM 641 CA ARG A 78 4.304 4.940 -10.801 1.00 0.00 C ATOM 642 C ARG A 78 2.994 4.177 -10.626 1.00 0.00 C ATOM 643 O ARG A 78 2.127 4.209 -11.499 1.00 0.00 O ATOM 644 CB ARG A 78 5.222 4.183 -11.765 1.00 0.00 C ATOM 645 CG ARG A 78 4.908 4.439 -13.230 1.00 0.00 C ATOM 646 CD ARG A 78 5.891 5.421 -13.849 1.00 0.00 C ATOM 647 NE ARG A 78 5.244 6.310 -14.810 1.00 0.00 N ATOM 648 CZ ARG A 78 4.932 5.956 -16.055 1.00 0.00 C ATOM 649 NH1 ARG A 78 5.204 4.732 -16.492 1.00 0.00 N ATOM 650 NH2 ARG A 78 4.345 6.826 -16.864 1.00 0.00 N ATOM 0 H ARG A 78 5.703 4.461 -9.313 1.00 0.00 H new ATOM 0 HA ARG A 78 4.074 5.921 -11.217 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.256 4.467 -11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.142 3.114 -11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.938 3.498 -13.779 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.895 4.830 -13.323 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.355 6.015 -13.061 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.690 4.870 -14.345 1.00 0.00 H new ATOM 0 HE ARG A 78 5.018 7.258 -14.510 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.654 4.058 -15.873 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.963 4.466 -17.447 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.132 7.767 -16.533 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.106 6.555 -17.818 1.00 0.00 H new ATOM 664 N CYS A 79 2.855 3.489 -9.497 1.00 0.00 N ATOM 665 CA CYS A 79 1.649 2.717 -9.219 1.00 0.00 C ATOM 666 C CYS A 79 0.782 3.408 -8.172 1.00 0.00 C ATOM 667 O CYS A 79 1.242 3.716 -7.072 1.00 0.00 O ATOM 668 CB CYS A 79 2.018 1.313 -8.737 1.00 0.00 C ATOM 669 SG CYS A 79 0.824 0.036 -9.201 1.00 0.00 S ATOM 0 H CYS A 79 3.561 3.450 -8.762 1.00 0.00 H new ATOM 0 HA CYS A 79 1.079 2.643 -10.145 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.994 1.047 -9.141 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.116 1.327 -7.651 1.00 0.00 H new ATOM 674 N SER A 80 -0.479 3.643 -8.521 1.00 0.00 N ATOM 675 CA SER A 80 -1.418 4.290 -7.612 1.00 0.00 C ATOM 676 C SER A 80 -2.640 3.406 -7.389 1.00 0.00 C ATOM 677 O SER A 80 -3.776 3.881 -7.399 1.00 0.00 O ATOM 678 CB SER A 80 -1.847 5.649 -8.169 1.00 0.00 C ATOM 679 OG SER A 80 -0.912 6.659 -7.828 1.00 0.00 O ATOM 0 H SER A 80 -0.874 3.395 -9.428 1.00 0.00 H new ATOM 0 HA SER A 80 -0.920 4.444 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.941 5.588 -9.253 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.830 5.912 -7.778 1.00 0.00 H new ATOM 0 HG SER A 80 -1.208 7.517 -8.197 1.00 0.00 H new ATOM 685 N TYR A 81 -2.396 2.114 -7.196 1.00 0.00 N ATOM 686 CA TYR A 81 -3.471 1.154 -6.979 1.00 0.00 C ATOM 687 C TYR A 81 -3.794 1.011 -5.495 1.00 0.00 C ATOM 688 O TYR A 81 -2.916 1.137 -4.642 1.00 0.00 O ATOM 689 CB TYR A 81 -3.084 -0.208 -7.557 1.00 0.00 C ATOM 690 CG TYR A 81 -3.294 -0.314 -9.051 1.00 0.00 C ATOM 691 CD1 TYR A 81 -2.751 0.626 -9.915 1.00 0.00 C ATOM 692 CD2 TYR A 81 -4.037 -1.355 -9.594 1.00 0.00 C ATOM 693 CE1 TYR A 81 -2.941 0.534 -11.281 1.00 0.00 C ATOM 694 CE2 TYR A 81 -4.232 -1.454 -10.958 1.00 0.00 C ATOM 695 CZ TYR A 81 -3.683 -0.508 -11.797 1.00 0.00 C ATOM 696 OH TYR A 81 -3.875 -0.604 -13.157 1.00 0.00 O ATOM 0 H TYR A 81 -1.461 1.707 -7.186 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.360 1.526 -7.488 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.036 -0.405 -7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.668 -0.983 -7.061 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.170 1.443 -9.514 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.469 -2.098 -8.940 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.511 1.274 -11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.812 -2.269 -11.365 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.419 -1.395 -13.356 1.00 0.00 H new ATOM 706 N VAL A 82 -5.061 0.741 -5.197 1.00 0.00 N ATOM 707 CA VAL A 82 -5.507 0.572 -3.820 1.00 0.00 C ATOM 708 C VAL A 82 -5.965 -0.860 -3.570 1.00 0.00 C ATOM 709 O VAL A 82 -6.792 -1.393 -4.311 1.00 0.00 O ATOM 710 CB VAL A 82 -6.659 1.534 -3.477 1.00 0.00 C ATOM 711 CG1 VAL A 82 -6.965 1.493 -1.987 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.322 2.949 -3.920 1.00 0.00 C ATOM 0 H VAL A 82 -5.798 0.634 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.655 0.800 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.550 1.211 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.782 2.179 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.254 0.481 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.079 1.789 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.148 3.615 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.418 3.284 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.158 2.964 -4.998 1.00 0.00 H new ATOM 722 N GLY A 83 -5.422 -1.481 -2.529 1.00 0.00 N ATOM 723 CA GLY A 83 -5.790 -2.848 -2.214 1.00 0.00 C ATOM 724 C GLY A 83 -6.050 -3.061 -0.735 1.00 0.00 C ATOM 725 O GLY A 83 -5.692 -2.226 0.094 1.00 0.00 O ATOM 0 H GLY A 83 -4.736 -1.064 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.683 -3.118 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.994 -3.518 -2.538 1.00 0.00 H new ATOM 729 N CYS A 84 -6.672 -4.189 -0.408 1.00 0.00 N ATOM 730 CA CYS A 84 -6.979 -4.519 0.979 1.00 0.00 C ATOM 731 C CYS A 84 -6.005 -5.565 1.513 1.00 0.00 C ATOM 732 O CYS A 84 -5.567 -6.454 0.779 1.00 0.00 O ATOM 733 CB CYS A 84 -8.418 -5.030 1.102 1.00 0.00 C ATOM 734 SG CYS A 84 -8.848 -6.332 -0.077 1.00 0.00 S ATOM 0 H CYS A 84 -6.973 -4.890 -1.085 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.876 -3.612 1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.572 -5.406 2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -9.102 -4.192 0.966 1.00 0.00 H new ATOM 739 N GLY A 85 -5.664 -5.446 2.792 1.00 0.00 N ATOM 740 CA GLY A 85 -4.738 -6.378 3.407 1.00 0.00 C ATOM 741 C GLY A 85 -5.338 -7.754 3.615 1.00 0.00 C ATOM 742 O GLY A 85 -6.360 -8.091 3.016 1.00 0.00 O ATOM 0 H GLY A 85 -6.014 -4.718 3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.849 -6.465 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.414 -5.979 4.368 1.00 0.00 H new ATOM 746 N GLU A 86 -4.698 -8.551 4.465 1.00 0.00 N ATOM 747 CA GLU A 86 -5.166 -9.903 4.755 1.00 0.00 C ATOM 748 C GLU A 86 -6.536 -9.889 5.434 1.00 0.00 C ATOM 749 O GLU A 86 -7.196 -10.923 5.532 1.00 0.00 O ATOM 750 CB GLU A 86 -4.151 -10.633 5.638 1.00 0.00 C ATOM 751 CG GLU A 86 -3.430 -11.766 4.925 1.00 0.00 C ATOM 752 CD GLU A 86 -3.251 -12.987 5.804 1.00 0.00 C ATOM 753 OE1 GLU A 86 -3.181 -12.824 7.040 1.00 0.00 O ATOM 754 OE2 GLU A 86 -3.181 -14.107 5.257 1.00 0.00 O ATOM 0 H GLU A 86 -3.851 -8.283 4.967 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.267 -10.431 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.415 -9.916 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.664 -11.033 6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.991 -12.044 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.453 -11.417 4.591 1.00 0.00 H new ATOM 761 N SER A 87 -6.959 -8.717 5.902 1.00 0.00 N ATOM 762 CA SER A 87 -8.248 -8.587 6.570 1.00 0.00 C ATOM 763 C SER A 87 -9.396 -8.942 5.628 1.00 0.00 C ATOM 764 O SER A 87 -10.513 -9.208 6.074 1.00 0.00 O ATOM 765 CB SER A 87 -8.429 -7.162 7.096 1.00 0.00 C ATOM 766 OG SER A 87 -9.096 -7.161 8.347 1.00 0.00 O ATOM 0 H SER A 87 -6.429 -7.848 5.831 1.00 0.00 H new ATOM 0 HA SER A 87 -8.264 -9.285 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.456 -6.683 7.199 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.999 -6.575 6.376 1.00 0.00 H new ATOM 0 HG SER A 87 -9.862 -7.771 8.310 1.00 0.00 H new ATOM 772 N GLN A 88 -9.121 -8.949 4.326 1.00 0.00 N ATOM 773 CA GLN A 88 -10.141 -9.275 3.336 1.00 0.00 C ATOM 774 C GLN A 88 -9.655 -10.361 2.379 1.00 0.00 C ATOM 775 O GLN A 88 -10.053 -11.521 2.493 1.00 0.00 O ATOM 776 CB GLN A 88 -10.541 -8.024 2.551 1.00 0.00 C ATOM 777 CG GLN A 88 -11.866 -7.426 2.998 1.00 0.00 C ATOM 778 CD GLN A 88 -13.046 -7.955 2.205 1.00 0.00 C ATOM 779 OE1 GLN A 88 -13.962 -7.208 1.863 1.00 0.00 O ATOM 780 NE2 GLN A 88 -13.032 -9.250 1.908 1.00 0.00 N ATOM 0 H GLN A 88 -8.204 -8.733 3.934 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.013 -9.655 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.758 -7.273 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.603 -8.274 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.019 -7.642 4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.823 -6.342 2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.253 -9.834 2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.800 -9.660 1.377 1.00 0.00 H new ATOM 789 N VAL A 89 -8.803 -9.979 1.432 1.00 0.00 N ATOM 790 CA VAL A 89 -8.277 -10.928 0.456 1.00 0.00 C ATOM 791 C VAL A 89 -6.774 -10.752 0.244 1.00 0.00 C ATOM 792 O VAL A 89 -6.215 -11.269 -0.723 1.00 0.00 O ATOM 793 CB VAL A 89 -8.988 -10.784 -0.904 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.633 -11.947 -1.820 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.495 -10.686 -0.717 1.00 0.00 C ATOM 0 H VAL A 89 -8.463 -9.024 1.320 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.464 -11.921 0.864 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.644 -9.862 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.145 -11.827 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.556 -11.964 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.944 -12.883 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.977 -10.585 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.860 -11.587 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.730 -9.816 -0.104 1.00 0.00 H new ATOM 805 N ASP A 90 -6.122 -10.020 1.145 1.00 0.00 N ATOM 806 CA ASP A 90 -4.683 -9.786 1.039 1.00 0.00 C ATOM 807 C ASP A 90 -4.316 -9.281 -0.355 1.00 0.00 C ATOM 808 O ASP A 90 -3.269 -9.632 -0.899 1.00 0.00 O ATOM 809 CB ASP A 90 -3.912 -11.071 1.348 1.00 0.00 C ATOM 810 CG ASP A 90 -2.650 -10.811 2.146 1.00 0.00 C ATOM 811 OD1 ASP A 90 -2.604 -9.793 2.869 1.00 0.00 O ATOM 812 OD2 ASP A 90 -1.707 -11.624 2.048 1.00 0.00 O ATOM 0 H ASP A 90 -6.564 -9.581 1.952 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.409 -9.022 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.556 -11.753 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.652 -11.569 0.414 1.00 0.00 H new ATOM 817 N HIS A 91 -5.186 -8.451 -0.921 1.00 0.00 N ATOM 818 CA HIS A 91 -4.963 -7.891 -2.249 1.00 0.00 C ATOM 819 C HIS A 91 -3.610 -7.196 -2.320 1.00 0.00 C ATOM 820 O HIS A 91 -2.923 -7.252 -3.340 1.00 0.00 O ATOM 821 CB HIS A 91 -6.078 -6.906 -2.602 1.00 0.00 C ATOM 822 CG HIS A 91 -7.170 -7.508 -3.431 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.465 -7.053 -3.349 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.112 -8.518 -4.331 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.161 -7.791 -4.194 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.384 -8.693 -4.814 1.00 0.00 N ATOM 0 H HIS A 91 -6.055 -8.151 -0.479 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.970 -8.708 -2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.508 -6.512 -1.681 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.648 -6.061 -3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.233 -9.078 -4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.222 -7.683 -4.365 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.682 -9.377 -5.510 1.00 0.00 H new ATOM 834 N SER A 92 -3.228 -6.548 -1.226 1.00 0.00 N ATOM 835 CA SER A 92 -1.952 -5.848 -1.164 1.00 0.00 C ATOM 836 C SER A 92 -0.795 -6.822 -1.376 1.00 0.00 C ATOM 837 O SER A 92 0.201 -6.489 -2.020 1.00 0.00 O ATOM 838 CB SER A 92 -1.801 -5.138 0.184 1.00 0.00 C ATOM 839 OG SER A 92 -1.264 -3.837 0.017 1.00 0.00 O ATOM 0 H SER A 92 -3.783 -6.493 -0.372 1.00 0.00 H new ATOM 0 HA SER A 92 -1.930 -5.103 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.772 -5.074 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.151 -5.722 0.836 1.00 0.00 H new ATOM 0 HG SER A 92 -1.975 -3.223 -0.264 1.00 0.00 H new ATOM 845 N THR A 93 -0.938 -8.028 -0.833 1.00 0.00 N ATOM 846 CA THR A 93 0.094 -9.049 -0.967 1.00 0.00 C ATOM 847 C THR A 93 0.155 -9.570 -2.397 1.00 0.00 C ATOM 848 O THR A 93 1.217 -9.582 -3.020 1.00 0.00 O ATOM 849 CB THR A 93 -0.171 -10.202 0.003 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.214 -9.734 1.339 1.00 0.00 O ATOM 851 CG2 THR A 93 0.874 -11.296 -0.066 1.00 0.00 C ATOM 0 H THR A 93 -1.756 -8.320 -0.298 1.00 0.00 H new ATOM 0 HA THR A 93 1.056 -8.597 -0.724 1.00 0.00 H new ATOM 0 HB THR A 93 -1.131 -10.619 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.409 -10.482 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.625 -12.082 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.898 -11.713 -1.073 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.852 -10.881 0.178 1.00 0.00 H new ATOM 859 N ILE A 94 -0.993 -9.992 -2.920 1.00 0.00 N ATOM 860 CA ILE A 94 -1.060 -10.506 -4.284 1.00 0.00 C ATOM 861 C ILE A 94 -0.547 -9.466 -5.268 1.00 0.00 C ATOM 862 O ILE A 94 0.303 -9.755 -6.111 1.00 0.00 O ATOM 863 CB ILE A 94 -2.495 -10.906 -4.687 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.213 -11.596 -3.523 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.462 -11.808 -5.913 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.533 -12.231 -3.907 1.00 0.00 C ATOM 0 H ILE A 94 -1.884 -9.988 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.433 -11.397 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.052 -10.002 -4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.559 -12.363 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.388 -10.866 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.480 -12.084 -6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.992 -11.278 -6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.890 -12.708 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.980 -12.699 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.206 -11.466 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.364 -12.986 -4.675 1.00 0.00 H new ATOM 878 N HIS A 95 -1.062 -8.246 -5.145 1.00 0.00 N ATOM 879 CA HIS A 95 -0.647 -7.153 -6.014 1.00 0.00 C ATOM 880 C HIS A 95 0.857 -6.931 -5.898 1.00 0.00 C ATOM 881 O HIS A 95 1.537 -6.672 -6.891 1.00 0.00 O ATOM 882 CB HIS A 95 -1.401 -5.868 -5.655 1.00 0.00 C ATOM 883 CG HIS A 95 -0.888 -4.649 -6.360 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.581 -3.980 -7.344 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.283 -3.978 -6.205 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.828 -2.949 -7.749 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.313 -2.902 -7.089 1.00 0.00 N ATOM 0 H HIS A 95 -1.766 -7.991 -4.453 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.885 -7.419 -7.044 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.456 -5.998 -5.895 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.336 -5.708 -4.579 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.504 -4.226 -7.701 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.066 -4.237 -5.508 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.118 -2.247 -8.517 1.00 0.00 H new ATOM 895 N SER A 96 1.370 -7.040 -4.676 1.00 0.00 N ATOM 896 CA SER A 96 2.794 -6.858 -4.427 1.00 0.00 C ATOM 897 C SER A 96 3.619 -7.845 -5.248 1.00 0.00 C ATOM 898 O SER A 96 4.626 -7.480 -5.845 1.00 0.00 O ATOM 899 CB SER A 96 3.099 -7.027 -2.936 1.00 0.00 C ATOM 900 OG SER A 96 4.468 -7.331 -2.724 1.00 0.00 O ATOM 0 H SER A 96 0.820 -7.253 -3.844 1.00 0.00 H new ATOM 0 HA SER A 96 3.066 -5.847 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.840 -6.112 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.479 -7.823 -2.523 1.00 0.00 H new ATOM 0 HG SER A 96 4.670 -7.281 -1.766 1.00 0.00 H new ATOM 906 N GLN A 97 3.192 -9.099 -5.274 1.00 0.00 N ATOM 907 CA GLN A 97 3.909 -10.122 -6.027 1.00 0.00 C ATOM 908 C GLN A 97 3.749 -9.910 -7.531 1.00 0.00 C ATOM 909 O GLN A 97 4.727 -9.928 -8.280 1.00 0.00 O ATOM 910 CB GLN A 97 3.410 -11.516 -5.640 1.00 0.00 C ATOM 911 CG GLN A 97 3.950 -12.007 -4.306 1.00 0.00 C ATOM 912 CD GLN A 97 3.325 -11.291 -3.126 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.437 -11.826 -2.461 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.784 -10.074 -2.860 1.00 0.00 N ATOM 0 H GLN A 97 2.360 -9.433 -4.787 1.00 0.00 H new ATOM 0 HA GLN A 97 4.967 -10.041 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.321 -11.505 -5.600 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.693 -12.223 -6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.766 -13.078 -4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.031 -11.866 -4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.521 -9.669 -3.437 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.400 -9.544 -2.078 1.00 0.00 H new ATOM 923 N GLU A 98 2.508 -9.716 -7.965 1.00 0.00 N ATOM 924 CA GLU A 98 2.204 -9.512 -9.380 1.00 0.00 C ATOM 925 C GLU A 98 3.083 -8.432 -10.010 1.00 0.00 C ATOM 926 O GLU A 98 3.648 -8.634 -11.085 1.00 0.00 O ATOM 927 CB GLU A 98 0.730 -9.145 -9.553 1.00 0.00 C ATOM 928 CG GLU A 98 -0.181 -10.349 -9.731 1.00 0.00 C ATOM 929 CD GLU A 98 -0.187 -10.868 -11.156 1.00 0.00 C ATOM 930 OE1 GLU A 98 0.131 -10.086 -12.074 1.00 0.00 O ATOM 931 OE2 GLU A 98 -0.511 -12.059 -11.351 1.00 0.00 O ATOM 0 H GLU A 98 1.691 -9.695 -7.354 1.00 0.00 H new ATOM 0 HA GLU A 98 2.414 -10.450 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.401 -8.577 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.626 -8.491 -10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.139 -11.145 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.197 -10.078 -9.442 1.00 0.00 H new ATOM 938 N THR A 99 3.184 -7.284 -9.349 1.00 0.00 N ATOM 939 CA THR A 99 3.984 -6.176 -9.869 1.00 0.00 C ATOM 940 C THR A 99 5.317 -6.043 -9.136 1.00 0.00 C ATOM 941 O THR A 99 6.020 -5.045 -9.296 1.00 0.00 O ATOM 942 CB THR A 99 3.204 -4.866 -9.757 1.00 0.00 C ATOM 943 OG1 THR A 99 2.767 -4.656 -8.426 1.00 0.00 O ATOM 944 CG2 THR A 99 1.987 -4.813 -10.654 1.00 0.00 C ATOM 0 H THR A 99 2.726 -7.095 -8.458 1.00 0.00 H new ATOM 0 HA THR A 99 4.196 -6.391 -10.916 1.00 0.00 H new ATOM 0 HB THR A 99 3.900 -4.088 -10.073 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.652 -3.696 -8.267 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.481 -3.857 -10.524 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.296 -4.922 -11.694 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.306 -5.623 -10.391 1.00 0.00 H new ATOM 952 N LYS A 100 5.668 -7.044 -8.337 1.00 0.00 N ATOM 953 CA LYS A 100 6.921 -7.015 -7.592 1.00 0.00 C ATOM 954 C LYS A 100 6.999 -5.786 -6.685 1.00 0.00 C ATOM 955 O LYS A 100 8.084 -5.371 -6.278 1.00 0.00 O ATOM 956 CB LYS A 100 8.111 -7.025 -8.554 1.00 0.00 C ATOM 957 CG LYS A 100 8.211 -8.295 -9.384 1.00 0.00 C ATOM 958 CD LYS A 100 8.868 -9.420 -8.602 1.00 0.00 C ATOM 959 CE LYS A 100 10.368 -9.207 -8.474 1.00 0.00 C ATOM 960 NZ LYS A 100 11.073 -9.427 -9.767 1.00 0.00 N ATOM 0 H LYS A 100 5.106 -7.882 -8.189 1.00 0.00 H new ATOM 0 HA LYS A 100 6.956 -7.906 -6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.034 -6.168 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.031 -6.901 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.215 -8.604 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.785 -8.096 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.422 -9.483 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.675 -10.371 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.562 -8.194 -8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.768 -9.887 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.097 -9.490 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.738 -10.312 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.877 -8.633 -10.409 1.00 0.00 H new ATOM 974 N HIS A 101 5.840 -5.219 -6.354 1.00 0.00 N ATOM 975 CA HIS A 101 5.776 -4.057 -5.478 1.00 0.00 C ATOM 976 C HIS A 101 5.696 -4.504 -4.021 1.00 0.00 C ATOM 977 O HIS A 101 4.619 -4.822 -3.520 1.00 0.00 O ATOM 978 CB HIS A 101 4.558 -3.194 -5.821 1.00 0.00 C ATOM 979 CG HIS A 101 4.579 -2.640 -7.212 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.484 -2.004 -7.745 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.576 -2.650 -8.129 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.836 -1.642 -8.966 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.094 -2.012 -9.244 1.00 0.00 N ATOM 0 H HIS A 101 4.932 -5.549 -6.682 1.00 0.00 H new ATOM 0 HA HIS A 101 6.679 -3.464 -5.623 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.655 -3.790 -5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.499 -2.368 -5.112 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.560 -3.078 -8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.191 -1.114 -9.653 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.596 -1.850 -10.117 1.00 0.00 H new ATOM 991 N TYR A 102 6.842 -4.538 -3.350 1.00 0.00 N ATOM 992 CA TYR A 102 6.894 -4.961 -1.953 1.00 0.00 C ATOM 993 C TYR A 102 6.731 -3.780 -1.000 1.00 0.00 C ATOM 994 O TYR A 102 7.150 -3.846 0.156 1.00 0.00 O ATOM 995 CB TYR A 102 8.216 -5.672 -1.665 1.00 0.00 C ATOM 996 CG TYR A 102 8.591 -6.705 -2.701 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.729 -6.550 -3.482 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.809 -7.835 -2.897 1.00 0.00 C ATOM 999 CE1 TYR A 102 10.077 -7.494 -4.430 1.00 0.00 C ATOM 1000 CE2 TYR A 102 8.150 -8.783 -3.841 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.284 -8.609 -4.606 1.00 0.00 C ATOM 1002 OH TYR A 102 9.630 -9.552 -5.549 1.00 0.00 O ATOM 0 H TYR A 102 7.745 -4.279 -3.748 1.00 0.00 H new ATOM 0 HA TYR A 102 6.064 -5.648 -1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 102 9.011 -4.929 -1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.153 -6.155 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.352 -5.678 -3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.919 -7.975 -2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.965 -7.359 -5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.531 -9.657 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 102 8.894 -10.189 -5.660 1.00 0.00 H new ATOM 1012 N LEU A 103 6.124 -2.702 -1.483 1.00 0.00 N ATOM 1013 CA LEU A 103 5.913 -1.517 -0.660 1.00 0.00 C ATOM 1014 C LEU A 103 4.434 -1.159 -0.597 1.00 0.00 C ATOM 1015 O LEU A 103 3.817 -0.839 -1.613 1.00 0.00 O ATOM 1016 CB LEU A 103 6.711 -0.336 -1.212 1.00 0.00 C ATOM 1017 CG LEU A 103 8.231 -0.468 -1.097 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.648 -0.583 0.361 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.726 -1.669 -1.889 1.00 0.00 C ATOM 0 H LEU A 103 5.770 -2.624 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 103 6.260 -1.740 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.452 -0.202 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.400 0.568 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 103 8.685 0.430 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.732 -0.676 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.329 0.308 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.182 -1.463 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.809 -1.746 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.263 -2.576 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.461 -1.547 -2.939 1.00 0.00 H new ATOM 1031 N THR A 104 3.869 -1.215 0.603 1.00 0.00 N ATOM 1032 CA THR A 104 2.460 -0.896 0.797 1.00 0.00 C ATOM 1033 C THR A 104 2.258 -0.080 2.068 1.00 0.00 C ATOM 1034 O THR A 104 2.784 -0.423 3.125 1.00 0.00 O ATOM 1035 CB THR A 104 1.630 -2.180 0.864 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.250 -1.878 0.968 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.995 -3.067 2.034 1.00 0.00 C ATOM 0 H THR A 104 4.364 -1.478 1.455 1.00 0.00 H new ATOM 0 HA THR A 104 2.127 -0.300 -0.053 1.00 0.00 H new ATOM 0 HB THR A 104 1.849 -2.716 -0.060 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.267 -2.523 0.441 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.370 -3.960 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.043 -3.357 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.836 -2.524 2.966 1.00 0.00 H new ATOM 1045 N VAL A 105 1.494 1.002 1.960 1.00 0.00 N ATOM 1046 CA VAL A 105 1.231 1.862 3.108 1.00 0.00 C ATOM 1047 C VAL A 105 -0.261 1.943 3.412 1.00 0.00 C ATOM 1048 O VAL A 105 -1.059 2.340 2.563 1.00 0.00 O ATOM 1049 CB VAL A 105 1.779 3.287 2.883 1.00 0.00 C ATOM 1050 CG1 VAL A 105 1.033 3.985 1.755 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.693 4.098 4.167 1.00 0.00 C ATOM 0 H VAL A 105 1.048 1.303 1.094 1.00 0.00 H new ATOM 0 HA VAL A 105 1.745 1.414 3.958 1.00 0.00 H new ATOM 0 HB VAL A 105 2.827 3.207 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.438 4.987 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.151 3.415 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.025 4.053 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.083 5.100 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.653 4.165 4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.281 3.611 4.945 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.625 1.572 4.635 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.018 1.609 5.064 1.00 0.00 C ATOM 1063 C ASN A 106 -2.424 3.036 5.412 1.00 0.00 C ATOM 1064 O ASN A 106 -1.764 3.700 6.205 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.229 0.695 6.272 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.166 0.888 7.335 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.054 1.960 7.928 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.375 -0.149 7.577 1.00 0.00 N ATOM 0 H ASN A 106 0.026 1.242 5.347 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.642 1.254 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.211 0.889 6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.226 -0.344 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.362 -0.076 8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.503 -1.020 7.061 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.504 3.505 4.802 1.00 0.00 N ATOM 1076 CA LEU A 107 -3.988 4.862 5.040 1.00 0.00 C ATOM 1077 C LEU A 107 -4.627 5.000 6.420 1.00 0.00 C ATOM 1078 O LEU A 107 -4.535 6.052 7.054 1.00 0.00 O ATOM 1079 CB LEU A 107 -4.994 5.259 3.959 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.635 4.802 2.542 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.795 4.047 1.911 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.238 5.993 1.681 1.00 0.00 C ATOM 0 H LEU A 107 -4.063 2.968 4.139 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.128 5.531 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.968 4.847 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.096 6.344 3.960 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.783 4.125 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.519 3.731 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.030 3.170 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.668 4.698 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.986 5.649 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.070 6.695 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.373 6.489 2.122 1.00 0.00 H new ATOM 1094 N THR A 108 -5.290 3.940 6.874 1.00 0.00 N ATOM 1095 CA THR A 108 -5.962 3.954 8.171 1.00 0.00 C ATOM 1096 C THR A 108 -4.968 4.018 9.330 1.00 0.00 C ATOM 1097 O THR A 108 -5.272 4.576 10.384 1.00 0.00 O ATOM 1098 CB THR A 108 -6.854 2.720 8.314 1.00 0.00 C ATOM 1099 OG1 THR A 108 -7.376 2.333 7.055 1.00 0.00 O ATOM 1100 CG2 THR A 108 -8.025 2.935 9.249 1.00 0.00 C ATOM 0 H THR A 108 -5.377 3.061 6.364 1.00 0.00 H new ATOM 0 HA THR A 108 -6.575 4.854 8.213 1.00 0.00 H new ATOM 0 HB THR A 108 -6.213 1.944 8.732 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.310 2.055 7.160 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.618 2.022 9.306 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.655 3.190 10.242 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.646 3.748 8.873 1.00 0.00 H new ATOM 1108 N THR A 109 -3.784 3.444 9.138 1.00 0.00 N ATOM 1109 CA THR A 109 -2.762 3.442 10.183 1.00 0.00 C ATOM 1110 C THR A 109 -1.621 4.407 9.854 1.00 0.00 C ATOM 1111 O THR A 109 -0.826 4.759 10.725 1.00 0.00 O ATOM 1112 CB THR A 109 -2.210 2.027 10.388 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.846 1.107 9.518 1.00 0.00 O ATOM 1114 CG2 THR A 109 -2.385 1.516 11.801 1.00 0.00 C ATOM 0 H THR A 109 -3.508 2.977 8.274 1.00 0.00 H new ATOM 0 HA THR A 109 -3.233 3.780 11.106 1.00 0.00 H new ATOM 0 HB THR A 109 -1.144 2.101 10.173 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.478 0.211 9.664 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.973 0.510 11.878 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.863 2.176 12.494 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.446 1.494 12.051 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.548 4.828 8.595 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.506 5.750 8.151 1.00 0.00 C ATOM 1124 C LEU A 110 0.883 5.135 8.309 1.00 0.00 C ATOM 1125 O LEU A 110 1.870 5.848 8.489 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.588 7.064 8.933 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.569 8.094 8.368 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.500 9.388 9.163 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -1.281 8.353 6.898 1.00 0.00 C ATOM 0 H LEU A 110 -2.199 4.545 7.862 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.670 5.953 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.872 6.840 9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.405 7.511 8.967 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.579 7.692 8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.204 10.109 8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.756 9.190 10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.490 9.795 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.988 9.088 6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.266 8.734 6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.383 7.423 6.338 1.00 0.00 H new ATOM 1141 N ARG A 111 0.954 3.808 8.234 1.00 0.00 N ATOM 1142 CA ARG A 111 2.224 3.101 8.365 1.00 0.00 C ATOM 1143 C ARG A 111 2.601 2.405 7.059 1.00 0.00 C ATOM 1144 O ARG A 111 1.731 2.007 6.284 1.00 0.00 O ATOM 1145 CB ARG A 111 2.147 2.076 9.498 1.00 0.00 C ATOM 1146 CG ARG A 111 1.695 2.667 10.824 1.00 0.00 C ATOM 1147 CD ARG A 111 2.472 2.080 11.992 1.00 0.00 C ATOM 1148 NE ARG A 111 1.629 1.889 13.170 1.00 0.00 N ATOM 1149 CZ ARG A 111 0.796 0.862 13.327 1.00 0.00 C ATOM 1150 NH1 ARG A 111 0.693 -0.069 12.386 1.00 0.00 N ATOM 1151 NH2 ARG A 111 0.063 0.765 14.429 1.00 0.00 N ATOM 0 H ARG A 111 0.148 3.202 8.083 1.00 0.00 H new ATOM 0 HA ARG A 111 2.995 3.835 8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.459 1.281 9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.127 1.618 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.828 3.749 10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.630 2.479 10.963 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.904 1.124 11.696 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.302 2.740 12.243 1.00 0.00 H new ATOM 0 HE ARG A 111 1.682 2.583 13.916 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.254 -0.000 11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.053 -0.853 12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.138 1.477 15.156 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.575 -0.022 14.549 1.00 0.00 H new ATOM 1165 N VAL A 112 3.903 2.258 6.824 1.00 0.00 N ATOM 1166 CA VAL A 112 4.394 1.605 5.615 1.00 0.00 C ATOM 1167 C VAL A 112 4.888 0.193 5.923 1.00 0.00 C ATOM 1168 O VAL A 112 5.418 -0.065 7.003 1.00 0.00 O ATOM 1169 CB VAL A 112 5.538 2.405 4.963 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.840 1.869 3.572 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.195 3.886 4.907 1.00 0.00 C ATOM 0 H VAL A 112 4.636 2.582 7.455 1.00 0.00 H new ATOM 0 HA VAL A 112 3.557 1.557 4.918 1.00 0.00 H new ATOM 0 HB VAL A 112 6.431 2.287 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.651 2.447 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.136 0.822 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 112 4.950 1.953 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.016 4.432 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.288 4.027 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.035 4.261 5.918 1.00 0.00 H new ATOM 1181 N TRP A 113 4.705 -0.719 4.972 1.00 0.00 N ATOM 1182 CA TRP A 113 5.126 -2.104 5.153 1.00 0.00 C ATOM 1183 C TRP A 113 6.007 -2.578 4.000 1.00 0.00 C ATOM 1184 O TRP A 113 5.777 -2.228 2.839 1.00 0.00 O ATOM 1185 CB TRP A 113 3.903 -3.014 5.279 1.00 0.00 C ATOM 1186 CG TRP A 113 4.253 -4.454 5.501 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.311 -5.438 4.556 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.591 -5.073 6.747 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.665 -6.630 5.139 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.842 -6.433 6.484 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.705 -4.608 8.061 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.201 -7.331 7.485 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.061 -5.501 9.054 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.306 -6.848 8.761 1.00 0.00 C ATOM 0 H TRP A 113 4.269 -0.524 4.071 1.00 0.00 H new ATOM 0 HA TRP A 113 5.714 -2.155 6.070 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.284 -2.666 6.106 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.302 -2.929 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.108 -5.299 3.504 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.778 -7.518 4.650 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.518 -3.570 8.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.390 -8.371 7.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.152 -5.154 10.073 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.584 -7.520 9.559 1.00 0.00 H new ATOM 1205 N CYS A 114 7.012 -3.386 4.335 1.00 0.00 N ATOM 1206 CA CYS A 114 7.937 -3.928 3.345 1.00 0.00 C ATOM 1207 C CYS A 114 7.855 -5.455 3.317 1.00 0.00 C ATOM 1208 O CYS A 114 8.249 -6.126 4.276 1.00 0.00 O ATOM 1209 CB CYS A 114 9.366 -3.486 3.662 1.00 0.00 C ATOM 1210 SG CYS A 114 10.559 -3.841 2.351 1.00 0.00 S ATOM 0 H CYS A 114 7.206 -3.680 5.292 1.00 0.00 H new ATOM 0 HA CYS A 114 7.657 -3.546 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.368 -2.414 3.859 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.692 -3.979 4.578 1.00 0.00 H new ATOM 1215 N TYR A 115 7.329 -5.993 2.217 1.00 0.00 N ATOM 1216 CA TYR A 115 7.180 -7.438 2.059 1.00 0.00 C ATOM 1217 C TYR A 115 8.532 -8.132 1.906 1.00 0.00 C ATOM 1218 O TYR A 115 8.761 -9.195 2.482 1.00 0.00 O ATOM 1219 CB TYR A 115 6.303 -7.753 0.845 1.00 0.00 C ATOM 1220 CG TYR A 115 4.821 -7.617 1.110 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.184 -8.425 2.045 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.055 -6.683 0.422 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.829 -8.305 2.286 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.700 -6.557 0.659 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.092 -7.370 1.592 1.00 0.00 C ATOM 1226 OH TYR A 115 0.742 -7.248 1.830 1.00 0.00 O ATOM 0 H TYR A 115 6.998 -5.448 1.421 1.00 0.00 H new ATOM 0 HA TYR A 115 6.703 -7.816 2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.579 -7.087 0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.511 -8.770 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.758 -9.158 2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.527 -6.045 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.349 -8.941 3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.120 -5.825 0.116 1.00 0.00 H new ATOM 0 HH TYR A 115 0.303 -8.111 1.675 1.00 0.00 H new ATOM 1236 N ALA A 116 9.423 -7.530 1.123 1.00 0.00 N ATOM 1237 CA ALA A 116 10.745 -8.100 0.895 1.00 0.00 C ATOM 1238 C ALA A 116 11.489 -8.275 2.209 1.00 0.00 C ATOM 1239 O ALA A 116 11.972 -9.363 2.524 1.00 0.00 O ATOM 1240 CB ALA A 116 11.543 -7.222 -0.056 1.00 0.00 C ATOM 0 H ALA A 116 9.253 -6.649 0.637 1.00 0.00 H new ATOM 0 HA ALA A 116 10.621 -9.083 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.528 -7.661 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.019 -7.148 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.655 -6.227 0.375 1.00 0.00 H new ATOM 1246 N CYS A 117 11.565 -7.198 2.979 1.00 0.00 N ATOM 1247 CA CYS A 117 12.235 -7.231 4.269 1.00 0.00 C ATOM 1248 C CYS A 117 11.425 -8.063 5.258 1.00 0.00 C ATOM 1249 O CYS A 117 11.977 -8.681 6.167 1.00 0.00 O ATOM 1250 CB CYS A 117 12.423 -5.813 4.809 1.00 0.00 C ATOM 1251 SG CYS A 117 13.902 -4.979 4.188 1.00 0.00 S ATOM 0 H CYS A 117 11.170 -6.291 2.731 1.00 0.00 H new ATOM 0 HA CYS A 117 13.216 -7.688 4.140 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.547 -5.218 4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.471 -5.853 5.897 1.00 0.00 H new ATOM 1256 N SER A 118 10.106 -8.069 5.068 1.00 0.00 N ATOM 1257 CA SER A 118 9.201 -8.818 5.933 1.00 0.00 C ATOM 1258 C SER A 118 9.037 -8.118 7.277 1.00 0.00 C ATOM 1259 O SER A 118 9.206 -8.730 8.332 1.00 0.00 O ATOM 1260 CB SER A 118 9.714 -10.246 6.143 1.00 0.00 C ATOM 1261 OG SER A 118 10.231 -10.785 4.939 1.00 0.00 O ATOM 0 H SER A 118 9.640 -7.559 4.317 1.00 0.00 H new ATOM 0 HA SER A 118 8.228 -8.864 5.444 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.490 -10.248 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.904 -10.877 6.509 1.00 0.00 H new ATOM 0 HG SER A 118 9.736 -10.417 4.177 1.00 0.00 H new ATOM 1267 N LYS A 119 8.707 -6.832 7.231 1.00 0.00 N ATOM 1268 CA LYS A 119 8.521 -6.055 8.452 1.00 0.00 C ATOM 1269 C LYS A 119 8.065 -4.634 8.143 1.00 0.00 C ATOM 1270 O LYS A 119 7.929 -4.250 6.981 1.00 0.00 O ATOM 1271 CB LYS A 119 9.821 -6.019 9.258 1.00 0.00 C ATOM 1272 CG LYS A 119 10.977 -5.363 8.519 1.00 0.00 C ATOM 1273 CD LYS A 119 12.181 -6.289 8.428 1.00 0.00 C ATOM 1274 CE LYS A 119 12.726 -6.631 9.805 1.00 0.00 C ATOM 1275 NZ LYS A 119 13.993 -7.409 9.723 1.00 0.00 N ATOM 0 H LYS A 119 8.563 -6.308 6.368 1.00 0.00 H new ATOM 0 HA LYS A 119 7.743 -6.541 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.646 -5.483 10.191 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.102 -7.038 9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.656 -5.083 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.262 -4.444 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.898 -7.205 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.962 -5.815 7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.900 -5.712 10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.982 -7.205 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.332 -7.622 10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.822 -8.298 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.711 -6.851 9.218 1.00 0.00 H new ATOM 1289 N GLU A 120 7.833 -3.856 9.196 1.00 0.00 N ATOM 1290 CA GLU A 120 7.395 -2.473 9.051 1.00 0.00 C ATOM 1291 C GLU A 120 8.581 -1.562 8.745 1.00 0.00 C ATOM 1292 O GLU A 120 9.697 -1.808 9.200 1.00 0.00 O ATOM 1293 CB GLU A 120 6.693 -2.009 10.328 1.00 0.00 C ATOM 1294 CG GLU A 120 5.442 -1.183 10.072 1.00 0.00 C ATOM 1295 CD GLU A 120 5.410 0.097 10.884 1.00 0.00 C ATOM 1296 OE1 GLU A 120 5.445 1.187 10.276 1.00 0.00 O ATOM 1297 OE2 GLU A 120 5.350 0.009 12.129 1.00 0.00 O ATOM 0 H GLU A 120 7.942 -4.162 10.163 1.00 0.00 H new ATOM 0 HA GLU A 120 6.694 -2.418 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.426 -2.882 10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.391 -1.420 10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.384 -0.937 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.562 -1.781 10.309 1.00 0.00 H new ATOM 1304 N VAL A 121 8.333 -0.511 7.969 1.00 0.00 N ATOM 1305 CA VAL A 121 9.386 0.430 7.606 1.00 0.00 C ATOM 1306 C VAL A 121 8.838 1.845 7.461 1.00 0.00 C ATOM 1307 O VAL A 121 7.626 2.051 7.401 1.00 0.00 O ATOM 1308 CB VAL A 121 10.072 0.023 6.288 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.821 -1.290 6.460 1.00 0.00 C ATOM 1310 CG2 VAL A 121 9.051 -0.080 5.165 1.00 0.00 C ATOM 0 H VAL A 121 7.416 -0.291 7.581 1.00 0.00 H new ATOM 0 HA VAL A 121 10.118 0.408 8.413 1.00 0.00 H new ATOM 0 HB VAL A 121 10.794 0.794 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.299 -1.562 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.580 -1.177 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.121 -2.073 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.553 -0.368 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.303 -0.831 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.564 0.885 5.027 1.00 0.00 H new ATOM 1320 N PHE A 122 9.741 2.820 7.406 1.00 0.00 N ATOM 1321 CA PHE A 122 9.352 4.219 7.265 1.00 0.00 C ATOM 1322 C PHE A 122 10.012 4.845 6.041 1.00 0.00 C ATOM 1323 O PHE A 122 11.152 4.522 5.705 1.00 0.00 O ATOM 1324 CB PHE A 122 9.733 5.004 8.522 1.00 0.00 C ATOM 1325 CG PHE A 122 11.194 4.921 8.861 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.727 3.766 9.412 1.00 0.00 C ATOM 1327 CD2 PHE A 122 12.034 5.998 8.629 1.00 0.00 C ATOM 1328 CE1 PHE A 122 13.070 3.688 9.726 1.00 0.00 C ATOM 1329 CE2 PHE A 122 13.379 5.925 8.940 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.897 4.768 9.489 1.00 0.00 C ATOM 0 H PHE A 122 10.748 2.666 7.457 1.00 0.00 H new ATOM 0 HA PHE A 122 8.271 4.259 7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.459 6.050 8.384 1.00 0.00 H new ATOM 0 HB3 PHE A 122 9.151 4.630 9.364 1.00 0.00 H new ATOM 0 HD1 PHE A 122 11.085 2.918 9.598 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.634 6.905 8.200 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.473 2.783 10.156 1.00 0.00 H new ATOM 0 HE2 PHE A 122 14.024 6.771 8.754 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.947 4.708 9.733 1.00 0.00 H new ATOM 1340 N LEU A 123 9.290 5.742 5.376 1.00 0.00 N ATOM 1341 CA LEU A 123 9.810 6.412 4.190 1.00 0.00 C ATOM 1342 C LEU A 123 9.995 7.905 4.443 1.00 0.00 C ATOM 1343 O LEU A 123 9.334 8.485 5.303 1.00 0.00 O ATOM 1344 CB LEU A 123 8.869 6.196 3.002 1.00 0.00 C ATOM 1345 CG LEU A 123 7.443 6.714 3.199 1.00 0.00 C ATOM 1346 CD1 LEU A 123 7.373 8.206 2.917 1.00 0.00 C ATOM 1347 CD2 LEU A 123 6.475 5.955 2.304 1.00 0.00 C ATOM 0 H LEU A 123 8.345 6.021 5.638 1.00 0.00 H new ATOM 0 HA LEU A 123 10.783 5.979 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.298 6.683 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.824 5.129 2.784 1.00 0.00 H new ATOM 0 HG LEU A 123 7.156 6.548 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.351 8.556 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 123 8.039 8.737 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 123 7.679 8.397 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.465 6.335 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 123 6.761 6.091 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.505 4.894 2.553 1.00 0.00 H new ATOM 1359 N ASP A 124 10.901 8.520 3.688 1.00 0.00 N ATOM 1360 CA ASP A 124 11.174 9.946 3.830 1.00 0.00 C ATOM 1361 C ASP A 124 9.986 10.776 3.355 1.00 0.00 C ATOM 1362 O ASP A 124 9.128 10.286 2.621 1.00 0.00 O ATOM 1363 CB ASP A 124 12.428 10.327 3.040 1.00 0.00 C ATOM 1364 CG ASP A 124 13.304 11.314 3.787 1.00 0.00 C ATOM 1365 OD1 ASP A 124 14.364 10.897 4.298 1.00 0.00 O ATOM 1366 OD2 ASP A 124 12.930 12.503 3.860 1.00 0.00 O ATOM 0 H ASP A 124 11.458 8.053 2.972 1.00 0.00 H new ATOM 0 HA ASP A 124 11.341 10.156 4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 124 13.004 9.428 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 124 12.134 10.758 2.083 1.00 0.00 H new ATOM 1371 N ARG A 125 9.940 12.035 3.779 1.00 0.00 N ATOM 1372 CA ARG A 125 8.853 12.929 3.395 1.00 0.00 C ATOM 1373 C ARG A 125 9.330 13.970 2.385 1.00 0.00 C ATOM 1374 O ARG A 125 8.554 14.440 1.553 1.00 0.00 O ATOM 1375 CB ARG A 125 8.273 13.622 4.631 1.00 0.00 C ATOM 1376 CG ARG A 125 6.758 13.535 4.717 1.00 0.00 C ATOM 1377 CD ARG A 125 6.193 14.538 5.712 1.00 0.00 C ATOM 1378 NE ARG A 125 5.172 15.391 5.107 1.00 0.00 N ATOM 1379 CZ ARG A 125 4.196 15.985 5.792 1.00 0.00 C ATOM 1380 NH1 ARG A 125 4.105 15.831 7.108 1.00 0.00 N ATOM 1381 NH2 ARG A 125 3.308 16.738 5.159 1.00 0.00 N ATOM 0 H ARG A 125 10.641 12.459 4.387 1.00 0.00 H new ATOM 0 HA ARG A 125 8.073 12.330 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.706 13.175 5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 125 8.569 14.671 4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.326 13.716 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 125 6.467 12.527 5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.764 14.005 6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.001 15.158 6.100 1.00 0.00 H new ATOM 0 HE ARG A 125 5.209 15.541 4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.786 15.254 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.354 16.290 7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.372 16.862 4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.560 17.193 5.682 1.00 0.00 H new ATOM 1395 N LYS A 126 10.607 14.325 2.463 1.00 0.00 N ATOM 1396 CA LYS A 126 11.181 15.311 1.554 1.00 0.00 C ATOM 1397 C LYS A 126 12.611 14.934 1.173 1.00 0.00 C ATOM 1398 O LYS A 126 13.350 14.370 1.979 1.00 0.00 O ATOM 1399 CB LYS A 126 11.157 16.701 2.194 1.00 0.00 C ATOM 1400 CG LYS A 126 10.386 17.730 1.384 1.00 0.00 C ATOM 1401 CD LYS A 126 11.293 18.468 0.411 1.00 0.00 C ATOM 1402 CE LYS A 126 10.532 19.533 -0.361 1.00 0.00 C ATOM 1403 NZ LYS A 126 11.429 20.621 -0.839 1.00 0.00 N ATOM 0 H LYS A 126 11.264 13.946 3.145 1.00 0.00 H new ATOM 0 HA LYS A 126 10.577 15.328 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 126 10.714 16.627 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.182 17.049 2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 126 9.586 17.236 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 126 9.915 18.446 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 126 12.115 18.931 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 126 11.735 17.757 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 126 10.031 19.075 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 126 9.755 19.957 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 10.871 21.327 -1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 11.888 21.076 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 12.155 20.221 -1.467 1.00 0.00 H new ATOM 1417 N LEU A 127 12.992 15.251 -0.061 1.00 0.00 N ATOM 1418 CA LEU A 127 14.332 14.947 -0.548 1.00 0.00 C ATOM 1419 C LEU A 127 15.220 16.186 -0.509 1.00 0.00 C ATOM 1420 O LEU A 127 15.470 16.817 -1.536 1.00 0.00 O ATOM 1421 CB LEU A 127 14.266 14.396 -1.975 1.00 0.00 C ATOM 1422 CG LEU A 127 13.545 13.056 -2.119 1.00 0.00 C ATOM 1423 CD1 LEU A 127 12.059 13.273 -2.363 1.00 0.00 C ATOM 1424 CD2 LEU A 127 14.159 12.240 -3.247 1.00 0.00 C ATOM 0 H LEU A 127 12.392 15.718 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 127 14.766 14.191 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.767 15.129 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 127 15.282 14.287 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 127 13.662 12.500 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 127 11.562 12.308 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 127 11.628 13.818 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 127 11.921 13.849 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 127 13.634 11.289 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 127 14.073 12.791 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 127 15.211 12.055 -3.031 1.00 0.00 H new ATOM 1436 N GLY A 128 15.694 16.530 0.684 1.00 0.00 N ATOM 1437 CA GLY A 128 16.548 17.693 0.836 1.00 0.00 C ATOM 1438 C GLY A 128 17.929 17.333 1.349 1.00 0.00 C ATOM 1439 O GLY A 128 18.566 18.125 2.044 1.00 0.00 O ATOM 0 H GLY A 128 15.502 16.024 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 128 16.641 18.200 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 128 16.080 18.397 1.524 1.00 0.00 H new ATOM 1443 N THR A 129 18.393 16.137 1.004 1.00 0.00 N ATOM 1444 CA THR A 129 19.707 15.674 1.433 1.00 0.00 C ATOM 1445 C THR A 129 20.088 14.381 0.722 1.00 0.00 C ATOM 1446 O THR A 129 21.229 14.210 0.292 1.00 0.00 O ATOM 1447 CB THR A 129 19.726 15.462 2.948 1.00 0.00 C ATOM 1448 OG1 THR A 129 18.436 15.122 3.423 1.00 0.00 O ATOM 1449 CG2 THR A 129 20.193 16.679 3.718 1.00 0.00 C ATOM 0 H THR A 129 17.878 15.471 0.428 1.00 0.00 H new ATOM 0 HA THR A 129 20.438 16.439 1.171 1.00 0.00 H new ATOM 0 HB THR A 129 20.435 14.652 3.117 1.00 0.00 H new ATOM 0 HG1 THR A 129 18.469 14.989 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 129 20.182 16.460 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 129 21.206 16.937 3.411 1.00 0.00 H new ATOM 0 HG23 THR A 129 19.527 17.517 3.513 1.00 0.00 H new ATOM 1457 N GLN A 130 19.126 13.475 0.603 1.00 0.00 N ATOM 1458 CA GLN A 130 19.358 12.195 -0.057 1.00 0.00 C ATOM 1459 C GLN A 130 19.678 12.394 -1.535 1.00 0.00 C ATOM 1460 O GLN A 130 20.785 11.999 -1.957 1.00 0.00 O ATOM 1461 CB GLN A 130 18.133 11.291 0.094 1.00 0.00 C ATOM 1462 CG GLN A 130 18.363 9.869 -0.390 1.00 0.00 C ATOM 1463 CD GLN A 130 19.193 9.051 0.580 1.00 0.00 C ATOM 1464 OE1 GLN A 130 19.867 9.599 1.452 1.00 0.00 O ATOM 1465 NE2 GLN A 130 19.149 7.733 0.432 1.00 0.00 N ATOM 1466 OXT GLN A 130 18.819 12.944 -2.257 1.00 0.00 O ATOM 0 H GLN A 130 18.177 13.602 0.955 1.00 0.00 H new ATOM 0 HA GLN A 130 20.214 11.719 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 130 17.838 11.266 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 130 17.301 11.725 -0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 130 17.401 9.380 -0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 130 18.863 9.895 -1.358 1.00 0.00 H new ATOM 0 HE21 GLN A 130 18.576 7.321 -0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 130 19.688 7.132 1.055 1.00 0.00 H new TER 1475 GLN A 130 HETATM 1476 ZN ZN A 131 12.883 -3.887 2.535 1.00 0.00 ZN HETATM 1477 ZN ZN A 132 -9.646 -5.763 -2.207 1.00 0.00 ZN HETATM 1478 ZN ZN A 133 1.568 -1.326 -7.433 1.00 0.00 ZN