USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1023 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 GLN : amide:sc= 0.0703 K(o=0.14,f=-0.65) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0.0679 USER MOD Set 2.1: A 37 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.158) USER MOD Set 2.2: A 44 THR OG1 : rot 100:sc= 0 USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= -0.0114 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.0968 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= -0.0187 (180deg=-0.128) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.26! C(o=-1.3!,f=-3.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -90:sc= -1.93! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 21 LYS NZ :NH3+ -133:sc= -0.0197 (180deg=-0.0558) USER MOD Single : A 22 THR OG1 : rot 130:sc= -2.19! USER MOD Single : A 25 THR OG1 : rot 60:sc= -0.127! USER MOD Single : A 28 THR OG1 : rot 97:sc= -0.634! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0068 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.00528 X(o=-0.0053,f=-0.44) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -153:sc= 0.979 USER MOD Single : A 54 GLN : amide:sc= -0.293 K(o=-0.29,f=-0.94) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -96:sc= 1.26 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 59 HIS : no HE2:sc= -9.44! C(o=-9.4!,f=-8.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 89:sc= -0.333 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.565 USER MOD Single : A 71 GLN : amide:sc= -3.35! C(o=-3.3!,f=-2.9!) USER MOD Single : A 72 GLN : amide:sc= -0.0994 K(o=-0.099,f=-1.3) USER MOD Single : A 74 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.73) USER MOD Single : A 76 HIS : no HE2:sc= -7.29! C(o=-7.3!,f=-14!) USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 0.0165 (180deg=0.00597) USER MOD Single : A 78 GLN : amide:sc= -0.221 K(o=-0.22,f=-4.8!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -13.5! C(o=-14!,f=-15!) USER MOD Single : A 97 ASN : amide:sc= -0.545 K(o=-0.54,f=-1.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.868) USER MOD Single : A 105 ASN : amide:sc= -3.15! C(o=-3.2!,f=-9.2!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.17 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.229 USER MOD Single : A 111 ASN : amide:sc= -2.15 K(o=-2.2,f=-4!) USER MOD Single : A 117 LYS NZ :NH3+ -136:sc= -0.986 (180deg=-1.38) USER MOD Single : A 118 THR OG1 : rot 4:sc= 0.0913 USER MOD Single : A 120 MET CE :methyl -125:sc= -6.87! (180deg=-10.7!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot -45:sc= 1.06 USER MOD Single : A 126 LYS NZ :NH3+ 164:sc= -0.026 (180deg=-0.181) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 16.895 5.425 -27.343 1.00 0.00 N ATOM 53 CA ASP A 4 15.593 6.098 -27.582 1.00 0.00 C ATOM 54 C ASP A 4 15.611 7.491 -26.951 1.00 0.00 C ATOM 55 O ASP A 4 16.419 7.787 -26.093 1.00 0.00 O ATOM 56 CB ASP A 4 14.472 5.277 -26.950 1.00 0.00 C ATOM 57 CG ASP A 4 13.230 5.337 -27.841 1.00 0.00 C ATOM 58 OD1 ASP A 4 13.255 6.078 -28.810 1.00 0.00 O ATOM 59 OD2 ASP A 4 12.275 4.640 -27.539 1.00 0.00 O ATOM 0 HA ASP A 4 15.425 6.185 -28.656 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.792 4.243 -26.823 1.00 0.00 H new ATOM 0 HB3 ASP A 4 14.239 5.663 -25.957 1.00 0.00 H new ATOM 64 N ILE A 5 14.722 8.344 -27.371 1.00 0.00 N ATOM 65 CA ILE A 5 14.672 9.721 -26.808 1.00 0.00 C ATOM 66 C ILE A 5 14.163 9.677 -25.364 1.00 0.00 C ATOM 67 O ILE A 5 14.504 10.513 -24.552 1.00 0.00 O ATOM 68 CB ILE A 5 13.725 10.566 -27.657 1.00 0.00 C ATOM 69 CG1 ILE A 5 14.263 10.647 -29.086 1.00 0.00 C ATOM 70 CG2 ILE A 5 13.624 11.975 -27.067 1.00 0.00 C ATOM 71 CD1 ILE A 5 13.630 9.539 -29.929 1.00 0.00 C ATOM 0 H ILE A 5 14.022 8.145 -28.086 1.00 0.00 H new ATOM 0 HA ILE A 5 15.671 10.156 -26.817 1.00 0.00 H new ATOM 0 HB ILE A 5 12.736 10.108 -27.664 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.036 11.622 -29.517 1.00 0.00 H new ATOM 0 HG13 ILE A 5 15.348 10.544 -29.085 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.948 12.576 -27.675 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.241 11.916 -26.048 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.611 12.437 -27.058 1.00 0.00 H new ATOM 0 HD11 ILE A 5 14.012 9.594 -30.948 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.879 8.568 -29.500 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.547 9.664 -29.940 1.00 0.00 H new ATOM 83 N THR A 6 13.339 8.717 -25.041 1.00 0.00 N ATOM 84 CA THR A 6 12.796 8.631 -23.656 1.00 0.00 C ATOM 85 C THR A 6 13.939 8.572 -22.643 1.00 0.00 C ATOM 86 O THR A 6 13.957 9.307 -21.675 1.00 0.00 O ATOM 87 CB THR A 6 11.943 7.367 -23.527 1.00 0.00 C ATOM 88 OG1 THR A 6 10.943 7.369 -24.535 1.00 0.00 O ATOM 89 CG2 THR A 6 11.282 7.334 -22.148 1.00 0.00 C ATOM 0 H THR A 6 13.018 7.988 -25.678 1.00 0.00 H new ATOM 0 HA THR A 6 12.189 9.514 -23.456 1.00 0.00 H new ATOM 0 HB THR A 6 12.575 6.487 -23.644 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.397 6.559 -24.455 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.675 6.433 -22.057 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.051 7.332 -21.376 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.648 8.213 -22.027 1.00 0.00 H new ATOM 97 N LEU A 7 14.884 7.695 -22.837 1.00 0.00 N ATOM 98 CA LEU A 7 15.994 7.588 -21.871 1.00 0.00 C ATOM 99 C LEU A 7 16.894 8.817 -21.988 1.00 0.00 C ATOM 100 O LEU A 7 17.328 9.362 -20.999 1.00 0.00 O ATOM 101 CB LEU A 7 16.815 6.319 -22.128 1.00 0.00 C ATOM 102 CG LEU A 7 15.997 5.025 -21.917 1.00 0.00 C ATOM 103 CD1 LEU A 7 16.204 4.531 -20.484 1.00 0.00 C ATOM 104 CD2 LEU A 7 14.500 5.242 -22.158 1.00 0.00 C ATOM 0 H LEU A 7 14.929 7.050 -23.626 1.00 0.00 H new ATOM 0 HA LEU A 7 15.578 7.533 -20.865 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.198 6.339 -23.148 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.679 6.310 -21.464 1.00 0.00 H new ATOM 0 HG LEU A 7 16.348 4.288 -22.639 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.630 3.618 -20.327 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.262 4.327 -20.319 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.868 5.296 -19.783 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.966 4.305 -21.998 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.126 5.996 -21.466 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.342 5.579 -23.182 1.00 0.00 H new ATOM 116 N GLN A 8 17.179 9.274 -23.177 1.00 0.00 N ATOM 117 CA GLN A 8 18.046 10.475 -23.292 1.00 0.00 C ATOM 118 C GLN A 8 17.411 11.598 -22.486 1.00 0.00 C ATOM 119 O GLN A 8 18.070 12.476 -21.966 1.00 0.00 O ATOM 120 CB GLN A 8 18.169 10.892 -24.759 1.00 0.00 C ATOM 121 CG GLN A 8 19.026 9.870 -25.511 1.00 0.00 C ATOM 122 CD GLN A 8 19.276 10.363 -26.938 1.00 0.00 C ATOM 123 OE1 GLN A 8 18.360 10.454 -27.730 1.00 0.00 O ATOM 124 NE2 GLN A 8 20.487 10.686 -27.301 1.00 0.00 N ATOM 0 H GLN A 8 16.855 8.875 -24.058 1.00 0.00 H new ATOM 0 HA GLN A 8 19.043 10.256 -22.911 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.180 10.958 -25.213 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.619 11.882 -24.830 1.00 0.00 H new ATOM 0 HG2 GLN A 8 19.974 9.725 -24.994 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.523 8.903 -25.532 1.00 0.00 H new ATOM 0 HE21 GLN A 8 21.256 10.610 -26.636 1.00 0.00 H new ATOM 0 HE22 GLN A 8 20.664 11.015 -28.250 1.00 0.00 H new ATOM 133 N GLU A 9 16.123 11.556 -22.394 1.00 0.00 N ATOM 134 CA GLU A 9 15.371 12.593 -21.637 1.00 0.00 C ATOM 135 C GLU A 9 15.598 12.444 -20.128 1.00 0.00 C ATOM 136 O GLU A 9 15.891 13.405 -19.444 1.00 0.00 O ATOM 137 CB GLU A 9 13.878 12.453 -21.938 1.00 0.00 C ATOM 138 CG GLU A 9 13.493 13.418 -23.059 1.00 0.00 C ATOM 139 CD GLU A 9 12.097 13.065 -23.580 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.286 12.619 -22.786 1.00 0.00 O ATOM 141 OE2 GLU A 9 11.865 13.245 -24.764 1.00 0.00 O ATOM 0 H GLU A 9 15.541 10.834 -22.818 1.00 0.00 H new ATOM 0 HA GLU A 9 15.729 13.575 -21.946 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.649 11.428 -22.231 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.294 12.666 -21.043 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.507 14.444 -22.691 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.220 13.360 -23.869 1.00 0.00 H new ATOM 148 N ILE A 10 15.438 11.260 -19.588 1.00 0.00 N ATOM 149 CA ILE A 10 15.619 11.097 -18.114 1.00 0.00 C ATOM 150 C ILE A 10 17.096 11.240 -17.736 1.00 0.00 C ATOM 151 O ILE A 10 17.435 11.987 -16.850 1.00 0.00 O ATOM 152 CB ILE A 10 15.081 9.719 -17.690 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.584 9.838 -17.391 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.799 9.220 -16.430 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.802 9.955 -18.700 1.00 0.00 C ATOM 0 H ILE A 10 15.193 10.411 -20.097 1.00 0.00 H new ATOM 0 HA ILE A 10 15.064 11.876 -17.592 1.00 0.00 H new ATOM 0 HB ILE A 10 15.256 9.011 -18.500 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.245 8.966 -16.831 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.397 10.711 -16.766 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.403 8.244 -16.148 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.867 9.134 -16.630 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.638 9.926 -15.616 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.737 10.039 -18.482 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.132 10.840 -19.243 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.978 9.069 -19.310 1.00 0.00 H new ATOM 167 N ILE A 11 17.973 10.536 -18.383 1.00 0.00 N ATOM 168 CA ILE A 11 19.414 10.649 -18.021 1.00 0.00 C ATOM 169 C ILE A 11 19.820 12.116 -17.952 1.00 0.00 C ATOM 170 O ILE A 11 20.701 12.485 -17.206 1.00 0.00 O ATOM 171 CB ILE A 11 20.269 9.926 -19.061 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.856 8.451 -19.115 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.745 10.037 -18.668 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.936 7.637 -19.829 1.00 0.00 C ATOM 0 H ILE A 11 17.761 9.890 -19.143 1.00 0.00 H new ATOM 0 HA ILE A 11 19.571 10.189 -17.045 1.00 0.00 H new ATOM 0 HB ILE A 11 20.122 10.379 -20.041 1.00 0.00 H new ATOM 0 HG12 ILE A 11 19.707 8.068 -18.105 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.905 8.349 -19.638 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.358 9.522 -19.408 1.00 0.00 H new ATOM 0 HG22 ILE A 11 22.032 11.088 -18.626 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.896 9.580 -17.690 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.638 6.589 -19.865 1.00 0.00 H new ATOM 0 HD12 ILE A 11 21.063 8.013 -20.844 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.878 7.728 -19.288 1.00 0.00 H new ATOM 186 N LYS A 12 19.189 12.960 -18.712 1.00 0.00 N ATOM 187 CA LYS A 12 19.552 14.402 -18.654 1.00 0.00 C ATOM 188 C LYS A 12 19.228 14.939 -17.256 1.00 0.00 C ATOM 189 O LYS A 12 20.033 15.602 -16.632 1.00 0.00 O ATOM 190 CB LYS A 12 18.746 15.173 -19.700 1.00 0.00 C ATOM 191 CG LYS A 12 19.514 16.432 -20.109 1.00 0.00 C ATOM 192 CD LYS A 12 18.528 17.502 -20.584 1.00 0.00 C ATOM 193 CE LYS A 12 17.713 16.961 -21.761 1.00 0.00 C ATOM 194 NZ LYS A 12 16.303 16.742 -21.331 1.00 0.00 N ATOM 0 H LYS A 12 18.444 12.719 -19.366 1.00 0.00 H new ATOM 0 HA LYS A 12 20.615 14.526 -18.859 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.566 14.544 -20.572 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.771 15.444 -19.296 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.094 16.806 -19.266 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.222 16.197 -20.904 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.863 17.787 -19.768 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.067 18.401 -20.884 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.745 17.664 -22.593 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.145 16.026 -22.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.935 15.877 -21.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.267 16.641 -20.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.722 17.555 -21.620 1.00 0.00 H new ATOM 208 N THR A 13 18.050 14.662 -16.765 1.00 0.00 N ATOM 209 CA THR A 13 17.655 15.156 -15.414 1.00 0.00 C ATOM 210 C THR A 13 18.428 14.417 -14.313 1.00 0.00 C ATOM 211 O THR A 13 18.999 15.024 -13.430 1.00 0.00 O ATOM 212 CB THR A 13 16.149 14.937 -15.227 1.00 0.00 C ATOM 213 OG1 THR A 13 15.438 15.875 -16.024 1.00 0.00 O ATOM 214 CG2 THR A 13 15.775 15.130 -13.755 1.00 0.00 C ATOM 0 H THR A 13 17.339 14.111 -17.246 1.00 0.00 H new ATOM 0 HA THR A 13 17.892 16.217 -15.340 1.00 0.00 H new ATOM 0 HB THR A 13 15.889 13.923 -15.531 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.474 15.738 -15.909 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.704 14.973 -13.628 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.322 14.412 -13.144 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.033 16.142 -13.444 1.00 0.00 H new ATOM 222 N LEU A 14 18.444 13.114 -14.356 1.00 0.00 N ATOM 223 CA LEU A 14 19.166 12.331 -13.317 1.00 0.00 C ATOM 224 C LEU A 14 20.650 12.702 -13.343 1.00 0.00 C ATOM 225 O LEU A 14 21.339 12.638 -12.343 1.00 0.00 O ATOM 226 CB LEU A 14 18.986 10.843 -13.626 1.00 0.00 C ATOM 227 CG LEU A 14 19.591 9.989 -12.514 1.00 0.00 C ATOM 228 CD1 LEU A 14 19.054 10.454 -11.160 1.00 0.00 C ATOM 229 CD2 LEU A 14 19.199 8.526 -12.747 1.00 0.00 C ATOM 0 H LEU A 14 17.983 12.554 -15.073 1.00 0.00 H new ATOM 0 HA LEU A 14 18.769 12.551 -12.326 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.926 10.613 -13.733 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.462 10.603 -14.577 1.00 0.00 H new ATOM 0 HG LEU A 14 20.676 10.088 -12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.487 9.843 -10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.323 11.498 -11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.969 10.352 -11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.625 7.905 -11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.113 8.434 -12.734 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.580 8.197 -13.714 1.00 0.00 H new ATOM 241 N ASN A 15 21.144 13.085 -14.485 1.00 0.00 N ATOM 242 CA ASN A 15 22.582 13.461 -14.598 1.00 0.00 C ATOM 243 C ASN A 15 22.837 14.800 -13.877 1.00 0.00 C ATOM 244 O ASN A 15 23.752 14.912 -13.087 1.00 0.00 O ATOM 245 CB ASN A 15 22.947 13.608 -16.077 1.00 0.00 C ATOM 246 CG ASN A 15 24.422 13.997 -16.203 1.00 0.00 C ATOM 247 OD1 ASN A 15 25.080 14.256 -15.216 1.00 0.00 O ATOM 248 ND2 ASN A 15 24.971 14.051 -17.385 1.00 0.00 N ATOM 0 H ASN A 15 20.611 13.155 -15.352 1.00 0.00 H new ATOM 0 HA ASN A 15 23.193 12.685 -14.137 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.761 12.672 -16.603 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.319 14.367 -16.544 1.00 0.00 H new ATOM 0 HD21 ASN A 15 25.953 14.311 -17.480 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.419 13.833 -18.214 1.00 0.00 H new ATOM 255 N SER A 16 22.052 15.833 -14.148 1.00 0.00 N ATOM 256 CA SER A 16 22.297 17.140 -13.473 1.00 0.00 C ATOM 257 C SER A 16 22.173 16.987 -11.955 1.00 0.00 C ATOM 258 O SER A 16 23.013 17.443 -11.206 1.00 0.00 O ATOM 259 CB SER A 16 21.272 18.164 -13.964 1.00 0.00 C ATOM 260 OG SER A 16 21.900 19.072 -14.857 1.00 0.00 O ATOM 0 H SER A 16 21.267 15.817 -14.799 1.00 0.00 H new ATOM 0 HA SER A 16 23.305 17.478 -13.713 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.447 17.657 -14.464 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.848 18.704 -13.118 1.00 0.00 H new ATOM 0 HG SER A 16 21.243 19.727 -15.173 1.00 0.00 H new ATOM 266 N LEU A 17 21.127 16.359 -11.492 1.00 0.00 N ATOM 267 CA LEU A 17 20.949 16.195 -10.021 1.00 0.00 C ATOM 268 C LEU A 17 22.125 15.414 -9.433 1.00 0.00 C ATOM 269 O LEU A 17 22.491 15.600 -8.291 1.00 0.00 O ATOM 270 CB LEU A 17 19.643 15.445 -9.744 1.00 0.00 C ATOM 271 CG LEU A 17 18.498 16.123 -10.501 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.153 15.568 -10.016 1.00 0.00 C ATOM 273 CD2 LEU A 17 18.550 17.632 -10.251 1.00 0.00 C ATOM 0 H LEU A 17 20.389 15.953 -12.067 1.00 0.00 H new ATOM 0 HA LEU A 17 20.910 17.180 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.735 14.405 -10.056 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.434 15.439 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 17 18.602 15.925 -11.568 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.342 16.054 -10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.117 14.494 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.043 15.761 -8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.736 18.118 -10.789 1.00 0.00 H new ATOM 0 HD22 LEU A 17 18.448 17.828 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 17 19.503 18.026 -10.602 1.00 0.00 H new ATOM 285 N THR A 18 22.722 14.540 -10.196 1.00 0.00 N ATOM 286 CA THR A 18 23.871 13.760 -9.653 1.00 0.00 C ATOM 287 C THR A 18 25.060 14.685 -9.452 1.00 0.00 C ATOM 288 O THR A 18 25.663 14.729 -8.398 1.00 0.00 O ATOM 289 CB THR A 18 24.242 12.637 -10.624 1.00 0.00 C ATOM 290 OG1 THR A 18 23.670 12.904 -11.898 1.00 0.00 O ATOM 291 CG2 THR A 18 23.710 11.305 -10.093 1.00 0.00 C ATOM 0 H THR A 18 22.468 14.333 -11.162 1.00 0.00 H new ATOM 0 HA THR A 18 23.590 13.321 -8.696 1.00 0.00 H new ATOM 0 HB THR A 18 25.327 12.582 -10.718 1.00 0.00 H new ATOM 0 HG1 THR A 18 22.779 12.499 -11.948 1.00 0.00 H new ATOM 0 HG21 THR A 18 23.975 10.506 -10.785 1.00 0.00 H new ATOM 0 HG22 THR A 18 24.150 11.100 -9.117 1.00 0.00 H new ATOM 0 HG23 THR A 18 22.625 11.358 -9.998 1.00 0.00 H new ATOM 299 N GLU A 19 25.386 15.433 -10.450 1.00 0.00 N ATOM 300 CA GLU A 19 26.525 16.383 -10.329 1.00 0.00 C ATOM 301 C GLU A 19 26.213 17.346 -9.195 1.00 0.00 C ATOM 302 O GLU A 19 27.083 17.843 -8.506 1.00 0.00 O ATOM 303 CB GLU A 19 26.706 17.156 -11.637 1.00 0.00 C ATOM 304 CG GLU A 19 27.240 16.214 -12.718 1.00 0.00 C ATOM 305 CD GLU A 19 28.541 15.568 -12.238 1.00 0.00 C ATOM 306 OE1 GLU A 19 29.311 16.249 -11.583 1.00 0.00 O ATOM 307 OE2 GLU A 19 28.745 14.401 -12.534 1.00 0.00 O ATOM 0 H GLU A 19 24.915 15.434 -11.355 1.00 0.00 H new ATOM 0 HA GLU A 19 27.448 15.841 -10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.755 17.586 -11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 19 27.397 17.985 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.501 15.445 -12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.415 16.766 -13.641 1.00 0.00 H new ATOM 314 N GLN A 20 24.959 17.582 -9.000 1.00 0.00 N ATOM 315 CA GLN A 20 24.503 18.487 -7.910 1.00 0.00 C ATOM 316 C GLN A 20 23.188 17.937 -7.353 1.00 0.00 C ATOM 317 O GLN A 20 22.185 17.901 -8.038 1.00 0.00 O ATOM 318 CB GLN A 20 24.278 19.894 -8.467 1.00 0.00 C ATOM 319 CG GLN A 20 25.472 20.297 -9.335 1.00 0.00 C ATOM 320 CD GLN A 20 25.200 21.656 -9.980 1.00 0.00 C ATOM 321 OE1 GLN A 20 24.154 21.866 -10.563 1.00 0.00 O ATOM 322 NE2 GLN A 20 26.103 22.594 -9.901 1.00 0.00 N ATOM 0 H GLN A 20 24.207 17.180 -9.560 1.00 0.00 H new ATOM 0 HA GLN A 20 25.255 18.538 -7.123 1.00 0.00 H new ATOM 0 HB2 GLN A 20 23.361 19.921 -9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 20 24.153 20.604 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 20 26.376 20.345 -8.728 1.00 0.00 H new ATOM 0 HG3 GLN A 20 25.645 19.545 -10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 20 26.980 22.417 -9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 20 25.932 23.504 -10.328 1.00 0.00 H new ATOM 331 N LYS A 21 23.179 17.492 -6.126 1.00 0.00 N ATOM 332 CA LYS A 21 21.922 16.932 -5.560 1.00 0.00 C ATOM 333 C LYS A 21 21.620 17.583 -4.211 1.00 0.00 C ATOM 334 O LYS A 21 21.355 16.912 -3.233 1.00 0.00 O ATOM 335 CB LYS A 21 22.084 15.418 -5.377 1.00 0.00 C ATOM 336 CG LYS A 21 20.722 14.794 -5.070 1.00 0.00 C ATOM 337 CD LYS A 21 19.892 14.720 -6.353 1.00 0.00 C ATOM 338 CE LYS A 21 18.431 14.437 -6.000 1.00 0.00 C ATOM 339 NZ LYS A 21 17.675 15.720 -5.952 1.00 0.00 N ATOM 0 H LYS A 21 23.981 17.492 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 21 21.096 17.135 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 21 22.504 14.975 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 21 22.782 15.211 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.854 13.796 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.199 15.388 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 21 19.969 15.658 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 21 20.278 13.936 -7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.989 13.770 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.370 13.930 -5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.097 15.750 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.343 16.517 -5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.056 15.790 -6.785 1.00 0.00 H new ATOM 353 N THR A 22 21.646 18.887 -4.147 1.00 0.00 N ATOM 354 CA THR A 22 21.348 19.569 -2.856 1.00 0.00 C ATOM 355 C THR A 22 22.388 19.160 -1.803 1.00 0.00 C ATOM 356 O THR A 22 22.234 19.459 -0.636 1.00 0.00 O ATOM 357 CB THR A 22 19.960 19.141 -2.377 1.00 0.00 C ATOM 358 OG1 THR A 22 19.112 18.948 -3.501 1.00 0.00 O ATOM 359 CG2 THR A 22 19.375 20.223 -1.469 1.00 0.00 C ATOM 0 H THR A 22 21.860 19.506 -4.929 1.00 0.00 H new ATOM 0 HA THR A 22 21.381 20.649 -2.999 1.00 0.00 H new ATOM 0 HB THR A 22 20.039 18.208 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 22 18.669 18.076 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.386 19.917 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.027 20.367 -0.607 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.294 21.158 -2.023 1.00 0.00 H new ATOM 367 N LEU A 23 23.451 18.487 -2.197 1.00 0.00 N ATOM 368 CA LEU A 23 24.483 18.076 -1.214 1.00 0.00 C ATOM 369 C LEU A 23 23.822 17.621 0.090 1.00 0.00 C ATOM 370 O LEU A 23 24.395 17.718 1.157 1.00 0.00 O ATOM 371 CB LEU A 23 25.386 19.269 -0.975 1.00 0.00 C ATOM 372 CG LEU A 23 26.827 18.797 -0.769 1.00 0.00 C ATOM 373 CD1 LEU A 23 27.719 19.999 -0.458 1.00 0.00 C ATOM 374 CD2 LEU A 23 26.878 17.808 0.398 1.00 0.00 C ATOM 0 H LEU A 23 23.638 18.210 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 23 25.065 17.236 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 23 25.335 19.951 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 23 25.047 19.824 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 23 27.182 18.308 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 23 28.745 19.662 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.683 20.703 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.365 20.490 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 23 27.904 17.471 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.523 18.297 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 23 26.243 16.950 0.176 1.00 0.00 H new ATOM 386 N CYS A 24 22.623 17.112 0.006 1.00 0.00 N ATOM 387 CA CYS A 24 21.921 16.634 1.231 1.00 0.00 C ATOM 388 C CYS A 24 22.078 15.115 1.332 1.00 0.00 C ATOM 389 O CYS A 24 22.816 14.615 2.156 1.00 0.00 O ATOM 390 CB CYS A 24 20.435 16.993 1.148 1.00 0.00 C ATOM 391 SG CYS A 24 19.810 17.352 2.809 1.00 0.00 S ATOM 0 H CYS A 24 22.098 17.006 -0.862 1.00 0.00 H new ATOM 0 HA CYS A 24 22.353 17.110 2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 24 20.294 17.858 0.500 1.00 0.00 H new ATOM 0 HB3 CYS A 24 19.874 16.169 0.707 1.00 0.00 H new ATOM 396 N THR A 25 21.398 14.378 0.494 1.00 0.00 N ATOM 397 CA THR A 25 21.524 12.894 0.545 1.00 0.00 C ATOM 398 C THR A 25 21.461 12.435 2.003 1.00 0.00 C ATOM 399 O THR A 25 21.115 13.193 2.885 1.00 0.00 O ATOM 400 CB THR A 25 22.864 12.481 -0.061 1.00 0.00 C ATOM 401 OG1 THR A 25 23.824 13.502 0.180 1.00 0.00 O ATOM 402 CG2 THR A 25 22.705 12.275 -1.567 1.00 0.00 C ATOM 0 H THR A 25 20.764 14.738 -0.220 1.00 0.00 H new ATOM 0 HA THR A 25 20.712 12.434 -0.019 1.00 0.00 H new ATOM 0 HB THR A 25 23.198 11.550 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.927 13.633 1.146 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.662 11.980 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.968 11.493 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.371 13.204 -2.028 1.00 0.00 H new ATOM 410 N GLU A 26 21.794 11.201 2.268 1.00 0.00 N ATOM 411 CA GLU A 26 21.751 10.705 3.673 1.00 0.00 C ATOM 412 C GLU A 26 20.380 11.015 4.275 1.00 0.00 C ATOM 413 O GLU A 26 20.210 11.064 5.477 1.00 0.00 O ATOM 414 CB GLU A 26 22.839 11.400 4.496 1.00 0.00 C ATOM 415 CG GLU A 26 24.150 11.407 3.707 1.00 0.00 C ATOM 416 CD GLU A 26 24.859 10.063 3.885 1.00 0.00 C ATOM 417 OE1 GLU A 26 24.217 9.132 4.342 1.00 0.00 O ATOM 418 OE2 GLU A 26 26.032 9.988 3.560 1.00 0.00 O ATOM 0 H GLU A 26 22.093 10.516 1.574 1.00 0.00 H new ATOM 0 HA GLU A 26 21.922 9.629 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.537 12.421 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.977 10.884 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.950 11.588 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.791 12.217 4.054 1.00 0.00 H new ATOM 425 N LEU A 27 19.398 11.226 3.442 1.00 0.00 N ATOM 426 CA LEU A 27 18.033 11.536 3.946 1.00 0.00 C ATOM 427 C LEU A 27 17.301 10.242 4.266 1.00 0.00 C ATOM 428 O LEU A 27 16.327 10.212 4.992 1.00 0.00 O ATOM 429 CB LEU A 27 17.291 12.300 2.869 1.00 0.00 C ATOM 430 CG LEU A 27 17.890 13.713 2.678 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.752 14.718 2.518 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.753 14.139 3.878 1.00 0.00 C ATOM 0 H LEU A 27 19.485 11.196 2.426 1.00 0.00 H new ATOM 0 HA LEU A 27 18.091 12.136 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.340 11.750 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.237 12.381 3.136 1.00 0.00 H new ATOM 0 HG LEU A 27 18.524 13.689 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.166 15.717 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 27 16.152 14.453 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.125 14.702 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.154 15.137 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.142 14.147 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.575 13.435 4.003 1.00 0.00 H new ATOM 444 N THR A 28 17.789 9.180 3.722 1.00 0.00 N ATOM 445 CA THR A 28 17.184 7.835 3.957 1.00 0.00 C ATOM 446 C THR A 28 15.931 7.648 3.100 1.00 0.00 C ATOM 447 O THR A 28 15.101 8.528 2.982 1.00 0.00 O ATOM 448 CB THR A 28 16.828 7.660 5.428 1.00 0.00 C ATOM 449 OG1 THR A 28 17.502 8.634 6.215 1.00 0.00 O ATOM 450 CG2 THR A 28 17.245 6.262 5.882 1.00 0.00 C ATOM 0 H THR A 28 18.603 9.176 3.107 1.00 0.00 H new ATOM 0 HA THR A 28 17.920 7.082 3.676 1.00 0.00 H new ATOM 0 HB THR A 28 15.753 7.786 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.904 9.394 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.993 6.131 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.720 5.515 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.320 6.142 5.749 1.00 0.00 H new ATOM 458 N VAL A 29 15.797 6.494 2.501 1.00 0.00 N ATOM 459 CA VAL A 29 14.611 6.210 1.645 1.00 0.00 C ATOM 460 C VAL A 29 14.324 4.709 1.674 1.00 0.00 C ATOM 461 O VAL A 29 15.000 3.946 2.334 1.00 0.00 O ATOM 462 CB VAL A 29 14.898 6.628 0.199 1.00 0.00 C ATOM 463 CG1 VAL A 29 13.616 7.108 -0.491 1.00 0.00 C ATOM 464 CG2 VAL A 29 15.955 7.743 0.156 1.00 0.00 C ATOM 0 H VAL A 29 16.467 5.728 2.570 1.00 0.00 H new ATOM 0 HA VAL A 29 13.754 6.769 2.022 1.00 0.00 H new ATOM 0 HB VAL A 29 15.281 5.756 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.842 7.400 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.882 6.302 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.211 7.964 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.144 8.025 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.592 8.610 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.880 7.386 0.609 1.00 0.00 H new ATOM 474 N THR A 30 13.324 4.280 0.955 1.00 0.00 N ATOM 475 CA THR A 30 12.987 2.829 0.930 1.00 0.00 C ATOM 476 C THR A 30 13.983 2.092 0.032 1.00 0.00 C ATOM 477 O THR A 30 14.145 2.416 -1.128 1.00 0.00 O ATOM 478 CB THR A 30 11.569 2.643 0.383 1.00 0.00 C ATOM 479 OG1 THR A 30 10.781 3.773 0.723 1.00 0.00 O ATOM 480 CG2 THR A 30 10.951 1.382 0.988 1.00 0.00 C ATOM 0 H THR A 30 12.724 4.873 0.382 1.00 0.00 H new ATOM 0 HA THR A 30 13.040 2.425 1.941 1.00 0.00 H new ATOM 0 HB THR A 30 11.606 2.541 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.873 3.656 0.372 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.941 1.249 0.599 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.559 0.516 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.912 1.481 2.073 1.00 0.00 H new ATOM 488 N ASP A 31 14.656 1.104 0.560 1.00 0.00 N ATOM 489 CA ASP A 31 15.644 0.350 -0.264 1.00 0.00 C ATOM 490 C ASP A 31 14.914 -0.498 -1.307 1.00 0.00 C ATOM 491 O ASP A 31 14.613 -1.655 -1.079 1.00 0.00 O ATOM 492 CB ASP A 31 16.473 -0.561 0.641 1.00 0.00 C ATOM 493 CG ASP A 31 17.597 -1.205 -0.174 1.00 0.00 C ATOM 494 OD1 ASP A 31 17.691 -0.908 -1.353 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.342 -1.985 0.395 1.00 0.00 O ATOM 0 H ASP A 31 14.564 0.787 1.525 1.00 0.00 H new ATOM 0 HA ASP A 31 16.300 1.057 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.892 0.013 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.839 -1.332 1.078 1.00 0.00 H new ATOM 500 N ILE A 32 14.621 0.064 -2.448 1.00 0.00 N ATOM 501 CA ILE A 32 13.905 -0.717 -3.503 1.00 0.00 C ATOM 502 C ILE A 32 14.908 -1.524 -4.337 1.00 0.00 C ATOM 503 O ILE A 32 14.726 -1.707 -5.524 1.00 0.00 O ATOM 504 CB ILE A 32 13.157 0.255 -4.428 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.179 1.101 -5.196 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.273 1.172 -3.585 1.00 0.00 C ATOM 507 CD1 ILE A 32 13.975 0.912 -6.700 1.00 0.00 C ATOM 0 H ILE A 32 14.845 1.027 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 32 13.203 -1.400 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 32 12.539 -0.304 -5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.067 2.153 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.191 0.809 -4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.740 1.864 -4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.554 0.572 -3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.893 1.735 -2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.702 1.514 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.110 -0.139 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.967 1.226 -6.973 1.00 0.00 H new ATOM 519 N PHE A 33 15.966 -1.999 -3.741 1.00 0.00 N ATOM 520 CA PHE A 33 16.968 -2.779 -4.525 1.00 0.00 C ATOM 521 C PHE A 33 17.400 -4.034 -3.742 1.00 0.00 C ATOM 522 O PHE A 33 18.541 -4.444 -3.816 1.00 0.00 O ATOM 523 CB PHE A 33 18.191 -1.897 -4.783 1.00 0.00 C ATOM 524 CG PHE A 33 17.836 -0.843 -5.806 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.554 -1.216 -7.126 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.785 0.506 -5.433 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.221 -0.240 -8.073 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.454 1.481 -6.381 1.00 0.00 C ATOM 529 CZ PHE A 33 17.169 1.109 -7.700 1.00 0.00 C ATOM 0 H PHE A 33 16.181 -1.883 -2.751 1.00 0.00 H new ATOM 0 HA PHE A 33 16.522 -3.090 -5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.517 -1.426 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.023 -2.504 -5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.593 -2.256 -7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.001 0.794 -4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.004 -0.527 -9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.418 2.522 -6.094 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.909 1.862 -8.430 1.00 0.00 H new ATOM 539 N ALA A 34 16.514 -4.653 -2.992 1.00 0.00 N ATOM 540 CA ALA A 34 16.918 -5.868 -2.230 1.00 0.00 C ATOM 541 C ALA A 34 15.701 -6.776 -2.042 1.00 0.00 C ATOM 542 O ALA A 34 15.257 -7.014 -0.937 1.00 0.00 O ATOM 543 CB ALA A 34 17.462 -5.454 -0.861 1.00 0.00 C ATOM 0 H ALA A 34 15.541 -4.369 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 34 17.691 -6.404 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.758 -6.343 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.327 -4.805 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.689 -4.919 -0.309 1.00 0.00 H new ATOM 549 N ALA A 35 15.157 -7.282 -3.115 1.00 0.00 N ATOM 550 CA ALA A 35 13.968 -8.173 -2.998 1.00 0.00 C ATOM 551 C ALA A 35 13.501 -8.577 -4.397 1.00 0.00 C ATOM 552 O ALA A 35 12.581 -8.004 -4.944 1.00 0.00 O ATOM 553 CB ALA A 35 12.842 -7.429 -2.280 1.00 0.00 C ATOM 0 H ALA A 35 15.484 -7.117 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 35 14.233 -9.064 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.972 -8.080 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.176 -7.137 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.574 -6.539 -2.849 1.00 0.00 H new ATOM 559 N SER A 36 14.131 -9.559 -4.980 1.00 0.00 N ATOM 560 CA SER A 36 13.725 -9.995 -6.344 1.00 0.00 C ATOM 561 C SER A 36 13.889 -8.828 -7.318 1.00 0.00 C ATOM 562 O SER A 36 13.023 -8.550 -8.126 1.00 0.00 O ATOM 563 CB SER A 36 12.261 -10.442 -6.324 1.00 0.00 C ATOM 564 OG SER A 36 12.039 -11.386 -7.361 1.00 0.00 O ATOM 0 H SER A 36 14.908 -10.077 -4.571 1.00 0.00 H new ATOM 0 HA SER A 36 14.353 -10.827 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.018 -10.884 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.605 -9.581 -6.455 1.00 0.00 H new ATOM 0 HG SER A 36 11.102 -11.673 -7.347 1.00 0.00 H new ATOM 570 N LYS A 37 14.997 -8.141 -7.250 1.00 0.00 N ATOM 571 CA LYS A 37 15.223 -6.991 -8.170 1.00 0.00 C ATOM 572 C LYS A 37 15.749 -7.506 -9.512 1.00 0.00 C ATOM 573 O LYS A 37 16.163 -6.744 -10.361 1.00 0.00 O ATOM 574 CB LYS A 37 16.248 -6.037 -7.553 1.00 0.00 C ATOM 575 CG LYS A 37 16.407 -4.808 -8.450 1.00 0.00 C ATOM 576 CD LYS A 37 17.878 -4.645 -8.838 1.00 0.00 C ATOM 577 CE LYS A 37 17.987 -4.401 -10.344 1.00 0.00 C ATOM 578 NZ LYS A 37 17.298 -3.125 -10.691 1.00 0.00 N ATOM 0 H LYS A 37 15.757 -8.327 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 37 14.283 -6.462 -8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.925 -5.734 -6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.207 -6.542 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.794 -4.916 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.057 -3.917 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.319 -3.811 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.438 -5.538 -8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.035 -4.354 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.538 -5.230 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.580 -2.827 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.268 -3.268 -10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.564 -2.389 -10.006 1.00 0.00 H new ATOM 592 N ASN A 38 15.737 -8.798 -9.706 1.00 0.00 N ATOM 593 CA ASN A 38 16.238 -9.362 -10.991 1.00 0.00 C ATOM 594 C ASN A 38 15.076 -9.492 -11.978 1.00 0.00 C ATOM 595 O ASN A 38 15.142 -10.236 -12.936 1.00 0.00 O ATOM 596 CB ASN A 38 16.848 -10.742 -10.737 1.00 0.00 C ATOM 597 CG ASN A 38 18.111 -10.592 -9.887 1.00 0.00 C ATOM 598 OD1 ASN A 38 18.033 -10.299 -8.709 1.00 0.00 O ATOM 599 ND2 ASN A 38 19.278 -10.782 -10.436 1.00 0.00 N ATOM 0 H ASN A 38 15.402 -9.485 -9.031 1.00 0.00 H new ATOM 0 HA ASN A 38 16.997 -8.700 -11.408 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.128 -11.382 -10.227 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.089 -11.225 -11.684 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.126 -10.685 -9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.343 -11.028 -11.424 1.00 0.00 H new ATOM 606 N THR A 39 14.009 -8.776 -11.751 1.00 0.00 N ATOM 607 CA THR A 39 12.844 -8.861 -12.677 1.00 0.00 C ATOM 608 C THR A 39 12.954 -7.763 -13.737 1.00 0.00 C ATOM 609 O THR A 39 13.930 -7.042 -13.799 1.00 0.00 O ATOM 610 CB THR A 39 11.548 -8.678 -11.884 1.00 0.00 C ATOM 611 OG1 THR A 39 10.439 -9.017 -12.707 1.00 0.00 O ATOM 612 CG2 THR A 39 11.423 -7.222 -11.433 1.00 0.00 C ATOM 0 H THR A 39 13.893 -8.136 -10.965 1.00 0.00 H new ATOM 0 HA THR A 39 12.837 -9.836 -13.164 1.00 0.00 H new ATOM 0 HB THR A 39 11.564 -9.327 -11.008 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.608 -8.902 -12.200 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.499 -7.094 -10.869 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.273 -6.962 -10.802 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.407 -6.571 -12.307 1.00 0.00 H new ATOM 620 N THR A 40 11.962 -7.632 -14.574 1.00 0.00 N ATOM 621 CA THR A 40 12.009 -6.581 -15.629 1.00 0.00 C ATOM 622 C THR A 40 12.527 -5.273 -15.028 1.00 0.00 C ATOM 623 O THR A 40 12.142 -4.882 -13.944 1.00 0.00 O ATOM 624 CB THR A 40 10.604 -6.358 -16.195 1.00 0.00 C ATOM 625 OG1 THR A 40 9.788 -7.480 -15.886 1.00 0.00 O ATOM 626 CG2 THR A 40 10.683 -6.186 -17.712 1.00 0.00 C ATOM 0 H THR A 40 11.120 -8.208 -14.573 1.00 0.00 H new ATOM 0 HA THR A 40 12.676 -6.904 -16.428 1.00 0.00 H new ATOM 0 HB THR A 40 10.173 -5.460 -15.753 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.888 -7.339 -16.246 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.682 -6.027 -18.113 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.309 -5.326 -17.949 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.115 -7.082 -18.158 1.00 0.00 H new ATOM 634 N GLU A 41 13.398 -4.593 -15.722 1.00 0.00 N ATOM 635 CA GLU A 41 13.938 -3.312 -15.190 1.00 0.00 C ATOM 636 C GLU A 41 12.784 -2.337 -14.942 1.00 0.00 C ATOM 637 O GLU A 41 12.756 -1.632 -13.954 1.00 0.00 O ATOM 638 CB GLU A 41 14.908 -2.704 -16.206 1.00 0.00 C ATOM 639 CG GLU A 41 15.993 -3.727 -16.547 1.00 0.00 C ATOM 640 CD GLU A 41 17.166 -3.567 -15.579 1.00 0.00 C ATOM 641 OE1 GLU A 41 16.917 -3.474 -14.388 1.00 0.00 O ATOM 642 OE2 GLU A 41 18.293 -3.542 -16.045 1.00 0.00 O ATOM 0 H GLU A 41 13.759 -4.870 -16.635 1.00 0.00 H new ATOM 0 HA GLU A 41 14.464 -3.501 -14.254 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.371 -2.412 -17.109 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.360 -1.800 -15.798 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.589 -4.737 -16.482 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.332 -3.585 -17.573 1.00 0.00 H new ATOM 649 N LYS A 42 11.830 -2.295 -15.832 1.00 0.00 N ATOM 650 CA LYS A 42 10.681 -1.367 -15.643 1.00 0.00 C ATOM 651 C LYS A 42 10.055 -1.605 -14.267 1.00 0.00 C ATOM 652 O LYS A 42 9.512 -0.705 -13.659 1.00 0.00 O ATOM 653 CB LYS A 42 9.635 -1.625 -16.730 1.00 0.00 C ATOM 654 CG LYS A 42 10.062 -0.931 -18.024 1.00 0.00 C ATOM 655 CD LYS A 42 9.412 -1.632 -19.218 1.00 0.00 C ATOM 656 CE LYS A 42 9.137 -0.611 -20.322 1.00 0.00 C ATOM 657 NZ LYS A 42 8.381 -1.265 -21.427 1.00 0.00 N ATOM 0 H LYS A 42 11.797 -2.862 -16.679 1.00 0.00 H new ATOM 0 HA LYS A 42 11.030 -0.337 -15.710 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.527 -2.696 -16.898 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.662 -1.253 -16.409 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.768 0.118 -18.001 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.147 -0.956 -18.121 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.067 -2.419 -19.591 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.482 -2.110 -18.910 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.566 0.227 -19.923 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.076 -0.206 -20.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.194 -0.570 -22.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.942 -2.051 -21.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.479 -1.631 -21.061 1.00 0.00 H new ATOM 671 N GLU A 43 10.129 -2.811 -13.771 1.00 0.00 N ATOM 672 CA GLU A 43 9.538 -3.102 -12.434 1.00 0.00 C ATOM 673 C GLU A 43 10.338 -2.376 -11.353 1.00 0.00 C ATOM 674 O GLU A 43 9.780 -1.788 -10.449 1.00 0.00 O ATOM 675 CB GLU A 43 9.578 -4.609 -12.174 1.00 0.00 C ATOM 676 CG GLU A 43 9.142 -4.890 -10.734 1.00 0.00 C ATOM 677 CD GLU A 43 8.340 -6.192 -10.688 1.00 0.00 C ATOM 678 OE1 GLU A 43 7.272 -6.228 -11.273 1.00 0.00 O ATOM 679 OE2 GLU A 43 8.811 -7.132 -10.067 1.00 0.00 O ATOM 0 H GLU A 43 10.572 -3.605 -14.233 1.00 0.00 H new ATOM 0 HA GLU A 43 8.504 -2.758 -12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.920 -5.127 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.585 -4.991 -12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.016 -4.966 -10.087 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.537 -4.065 -10.358 1.00 0.00 H new ATOM 686 N THR A 44 11.643 -2.397 -11.438 1.00 0.00 N ATOM 687 CA THR A 44 12.449 -1.682 -10.403 1.00 0.00 C ATOM 688 C THR A 44 12.080 -0.207 -10.458 1.00 0.00 C ATOM 689 O THR A 44 12.138 0.506 -9.478 1.00 0.00 O ATOM 690 CB THR A 44 13.961 -1.857 -10.649 1.00 0.00 C ATOM 691 OG1 THR A 44 14.659 -1.573 -9.445 1.00 0.00 O ATOM 692 CG2 THR A 44 14.437 -0.894 -11.744 1.00 0.00 C ATOM 0 H THR A 44 12.179 -2.870 -12.166 1.00 0.00 H new ATOM 0 HA THR A 44 12.229 -2.099 -9.420 1.00 0.00 H new ATOM 0 HB THR A 44 14.156 -2.881 -10.968 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.896 -2.413 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.506 -1.029 -11.907 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.900 -1.101 -12.669 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.244 0.133 -11.434 1.00 0.00 H new ATOM 700 N PHE A 45 11.700 0.242 -11.612 1.00 0.00 N ATOM 701 CA PHE A 45 11.309 1.669 -11.782 1.00 0.00 C ATOM 702 C PHE A 45 9.978 1.920 -11.076 1.00 0.00 C ATOM 703 O PHE A 45 9.700 3.012 -10.626 1.00 0.00 O ATOM 704 CB PHE A 45 11.158 1.983 -13.267 1.00 0.00 C ATOM 705 CG PHE A 45 12.536 1.966 -13.945 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.714 1.848 -13.176 1.00 0.00 C ATOM 707 CD2 PHE A 45 12.644 2.061 -15.346 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.965 1.825 -13.800 1.00 0.00 C ATOM 709 CE2 PHE A 45 13.901 2.035 -15.961 1.00 0.00 C ATOM 710 CZ PHE A 45 15.059 1.918 -15.187 1.00 0.00 C ATOM 0 H PHE A 45 11.641 -0.323 -12.459 1.00 0.00 H new ATOM 0 HA PHE A 45 12.079 2.308 -11.350 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.502 1.251 -13.738 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.691 2.959 -13.396 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.649 1.775 -12.100 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.753 2.154 -15.949 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.862 1.735 -13.205 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.976 2.106 -17.036 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.028 1.900 -15.665 1.00 0.00 H new ATOM 720 N CYS A 46 9.147 0.919 -10.989 1.00 0.00 N ATOM 721 CA CYS A 46 7.830 1.103 -10.325 1.00 0.00 C ATOM 722 C CYS A 46 8.027 1.340 -8.825 1.00 0.00 C ATOM 723 O CYS A 46 7.509 2.283 -8.264 1.00 0.00 O ATOM 724 CB CYS A 46 6.993 -0.146 -10.529 1.00 0.00 C ATOM 725 SG CYS A 46 5.250 0.317 -10.642 1.00 0.00 S ATOM 0 H CYS A 46 9.325 -0.018 -11.350 1.00 0.00 H new ATOM 0 HA CYS A 46 7.325 1.966 -10.759 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.304 -0.662 -11.437 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.144 -0.839 -9.701 1.00 0.00 H new ATOM 730 N ARG A 47 8.770 0.489 -8.175 1.00 0.00 N ATOM 731 CA ARG A 47 9.001 0.666 -6.713 1.00 0.00 C ATOM 732 C ARG A 47 9.914 1.872 -6.472 1.00 0.00 C ATOM 733 O ARG A 47 9.772 2.590 -5.501 1.00 0.00 O ATOM 734 CB ARG A 47 9.660 -0.593 -6.146 1.00 0.00 C ATOM 735 CG ARG A 47 9.496 -0.615 -4.625 1.00 0.00 C ATOM 736 CD ARG A 47 8.007 -0.638 -4.272 1.00 0.00 C ATOM 737 NE ARG A 47 7.761 -1.674 -3.231 1.00 0.00 N ATOM 738 CZ ARG A 47 7.399 -2.878 -3.582 1.00 0.00 C ATOM 739 NH1 ARG A 47 8.253 -3.675 -4.162 1.00 0.00 N ATOM 740 NH2 ARG A 47 6.180 -3.285 -3.351 1.00 0.00 N ATOM 0 H ARG A 47 9.228 -0.322 -8.592 1.00 0.00 H new ATOM 0 HA ARG A 47 8.045 0.835 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.207 -1.482 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.718 -0.612 -6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.993 -1.491 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.971 0.261 -4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.693 0.340 -3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.414 -0.853 -5.161 1.00 0.00 H new ATOM 0 HE ARG A 47 7.875 -1.443 -2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.206 -3.358 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.968 -4.615 -4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.512 -2.662 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.896 -4.226 -3.625 1.00 0.00 H new ATOM 754 N ALA A 48 10.865 2.083 -7.340 1.00 0.00 N ATOM 755 CA ALA A 48 11.808 3.235 -7.151 1.00 0.00 C ATOM 756 C ALA A 48 11.088 4.552 -7.392 1.00 0.00 C ATOM 757 O ALA A 48 11.396 5.571 -6.808 1.00 0.00 O ATOM 758 CB ALA A 48 13.001 3.129 -8.114 1.00 0.00 C ATOM 0 H ALA A 48 11.034 1.514 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 48 12.175 3.202 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.671 3.975 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.540 2.200 -7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.640 3.136 -9.143 1.00 0.00 H new ATOM 764 N ALA A 49 10.136 4.529 -8.252 1.00 0.00 N ATOM 765 CA ALA A 49 9.373 5.765 -8.566 1.00 0.00 C ATOM 766 C ALA A 49 8.497 6.138 -7.375 1.00 0.00 C ATOM 767 O ALA A 49 8.304 7.298 -7.068 1.00 0.00 O ATOM 768 CB ALA A 49 8.494 5.521 -9.795 1.00 0.00 C ATOM 0 H ALA A 49 9.840 3.699 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 49 10.067 6.580 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.933 6.427 -10.027 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.123 5.256 -10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.799 4.707 -9.589 1.00 0.00 H new ATOM 774 N THR A 50 7.965 5.161 -6.699 1.00 0.00 N ATOM 775 CA THR A 50 7.103 5.458 -5.527 1.00 0.00 C ATOM 776 C THR A 50 7.941 6.122 -4.434 1.00 0.00 C ATOM 777 O THR A 50 7.487 7.015 -3.750 1.00 0.00 O ATOM 778 CB THR A 50 6.506 4.154 -4.992 1.00 0.00 C ATOM 779 OG1 THR A 50 6.537 3.168 -6.012 1.00 0.00 O ATOM 780 CG2 THR A 50 5.060 4.394 -4.555 1.00 0.00 C ATOM 0 H THR A 50 8.090 4.171 -6.908 1.00 0.00 H new ATOM 0 HA THR A 50 6.299 6.130 -5.826 1.00 0.00 H new ATOM 0 HB THR A 50 7.089 3.811 -4.137 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.817 2.520 -5.863 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.636 3.465 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.038 5.151 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.474 4.737 -5.408 1.00 0.00 H new ATOM 788 N VAL A 51 9.160 5.685 -4.250 1.00 0.00 N ATOM 789 CA VAL A 51 10.005 6.293 -3.185 1.00 0.00 C ATOM 790 C VAL A 51 10.414 7.714 -3.575 1.00 0.00 C ATOM 791 O VAL A 51 10.247 8.631 -2.805 1.00 0.00 O ATOM 792 CB VAL A 51 11.242 5.415 -2.928 1.00 0.00 C ATOM 793 CG1 VAL A 51 10.882 3.950 -3.186 1.00 0.00 C ATOM 794 CG2 VAL A 51 12.403 5.816 -3.841 1.00 0.00 C ATOM 0 H VAL A 51 9.602 4.939 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 51 9.426 6.350 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 51 11.554 5.553 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.755 3.323 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.076 3.650 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.558 3.832 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.263 5.179 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.104 5.699 -4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.670 6.856 -3.655 1.00 0.00 H new ATOM 804 N LEU A 52 10.943 7.925 -4.750 1.00 0.00 N ATOM 805 CA LEU A 52 11.326 9.317 -5.114 1.00 0.00 C ATOM 806 C LEU A 52 10.085 10.201 -5.001 1.00 0.00 C ATOM 807 O LEU A 52 10.172 11.380 -4.720 1.00 0.00 O ATOM 808 CB LEU A 52 11.852 9.372 -6.551 1.00 0.00 C ATOM 809 CG LEU A 52 13.258 8.773 -6.618 1.00 0.00 C ATOM 810 CD1 LEU A 52 13.888 9.124 -7.967 1.00 0.00 C ATOM 811 CD2 LEU A 52 14.120 9.347 -5.491 1.00 0.00 C ATOM 0 H LEU A 52 11.123 7.213 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 52 12.112 9.664 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.182 8.823 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.871 10.404 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 52 13.197 7.690 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.891 8.700 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.277 8.715 -8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.946 10.208 -8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.120 8.917 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.184 10.430 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.670 9.103 -4.529 1.00 0.00 H new ATOM 823 N ARG A 53 8.929 9.636 -5.222 1.00 0.00 N ATOM 824 CA ARG A 53 7.678 10.437 -5.134 1.00 0.00 C ATOM 825 C ARG A 53 7.419 10.843 -3.681 1.00 0.00 C ATOM 826 O ARG A 53 7.175 11.996 -3.387 1.00 0.00 O ATOM 827 CB ARG A 53 6.504 9.600 -5.644 1.00 0.00 C ATOM 828 CG ARG A 53 5.204 10.390 -5.477 1.00 0.00 C ATOM 829 CD ARG A 53 4.304 9.684 -4.461 1.00 0.00 C ATOM 830 NE ARG A 53 3.362 10.670 -3.862 1.00 0.00 N ATOM 831 CZ ARG A 53 2.604 10.322 -2.858 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.890 9.232 -2.927 1.00 0.00 N ATOM 833 NH2 ARG A 53 2.562 11.065 -1.785 1.00 0.00 N ATOM 0 H ARG A 53 8.798 8.653 -5.460 1.00 0.00 H new ATOM 0 HA ARG A 53 7.783 11.335 -5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.654 9.344 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.445 8.662 -5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.423 11.404 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.692 10.474 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.748 8.883 -4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.910 9.224 -3.681 1.00 0.00 H new ATOM 0 HE ARG A 53 3.309 11.617 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.924 8.652 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.298 8.960 -2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.121 11.916 -1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.970 10.794 -1.000 1.00 0.00 H new ATOM 847 N GLN A 54 7.456 9.908 -2.767 1.00 0.00 N ATOM 848 CA GLN A 54 7.194 10.263 -1.342 1.00 0.00 C ATOM 849 C GLN A 54 8.307 11.153 -0.790 1.00 0.00 C ATOM 850 O GLN A 54 8.107 11.940 0.114 1.00 0.00 O ATOM 851 CB GLN A 54 7.101 8.987 -0.521 1.00 0.00 C ATOM 852 CG GLN A 54 5.766 8.300 -0.807 1.00 0.00 C ATOM 853 CD GLN A 54 5.036 8.027 0.509 1.00 0.00 C ATOM 854 OE1 GLN A 54 5.110 8.813 1.432 1.00 0.00 O ATOM 855 NE2 GLN A 54 4.327 6.939 0.634 1.00 0.00 N ATOM 0 H GLN A 54 7.654 8.923 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 54 6.256 10.814 -1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.927 8.320 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.185 9.217 0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.152 8.930 -1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.934 7.365 -1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.265 6.279 -0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.835 6.748 1.507 1.00 0.00 H new ATOM 864 N PHE A 55 9.472 10.999 -1.313 1.00 0.00 N ATOM 865 CA PHE A 55 10.643 11.782 -0.834 1.00 0.00 C ATOM 866 C PHE A 55 10.537 13.258 -1.225 1.00 0.00 C ATOM 867 O PHE A 55 10.688 14.128 -0.398 1.00 0.00 O ATOM 868 CB PHE A 55 11.903 11.201 -1.475 1.00 0.00 C ATOM 869 CG PHE A 55 13.123 11.877 -0.906 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.728 11.371 0.250 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.653 13.009 -1.536 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.863 11.999 0.776 1.00 0.00 C ATOM 873 CE2 PHE A 55 14.787 13.637 -1.011 1.00 0.00 C ATOM 874 CZ PHE A 55 15.391 13.131 0.145 1.00 0.00 C ATOM 0 H PHE A 55 9.677 10.349 -2.072 1.00 0.00 H new ATOM 0 HA PHE A 55 10.678 11.719 0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.953 10.127 -1.293 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.870 11.340 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 55 13.320 10.497 0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.186 13.398 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 55 15.331 11.610 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.196 14.511 -1.497 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.267 13.615 0.551 1.00 0.00 H new ATOM 884 N TYR A 56 10.306 13.556 -2.473 1.00 0.00 N ATOM 885 CA TYR A 56 10.231 14.993 -2.880 1.00 0.00 C ATOM 886 C TYR A 56 8.939 15.648 -2.347 1.00 0.00 C ATOM 887 O TYR A 56 8.949 16.809 -1.987 1.00 0.00 O ATOM 888 CB TYR A 56 10.320 15.137 -4.416 1.00 0.00 C ATOM 889 CG TYR A 56 8.979 14.909 -5.067 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.977 15.879 -4.957 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.743 13.739 -5.799 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.737 15.681 -5.572 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.502 13.541 -6.417 1.00 0.00 C ATOM 894 CZ TYR A 56 6.498 14.510 -6.303 1.00 0.00 C ATOM 895 OH TYR A 56 5.276 14.314 -6.911 1.00 0.00 O ATOM 0 H TYR A 56 10.167 12.879 -3.223 1.00 0.00 H new ATOM 0 HA TYR A 56 11.083 15.511 -2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.685 16.132 -4.669 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.043 14.423 -4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.162 16.783 -4.396 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.517 12.991 -5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.964 16.430 -5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.319 12.639 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 56 5.277 13.452 -7.378 1.00 0.00 H new ATOM 905 N SER A 57 7.814 14.949 -2.295 1.00 0.00 N ATOM 906 CA SER A 57 6.576 15.610 -1.791 1.00 0.00 C ATOM 907 C SER A 57 6.688 15.878 -0.285 1.00 0.00 C ATOM 908 O SER A 57 6.339 16.936 0.192 1.00 0.00 O ATOM 909 CB SER A 57 5.375 14.702 -2.056 1.00 0.00 C ATOM 910 OG SER A 57 5.685 13.377 -1.651 1.00 0.00 O ATOM 0 H SER A 57 7.712 13.974 -2.575 1.00 0.00 H new ATOM 0 HA SER A 57 6.446 16.560 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.504 15.066 -1.512 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.119 14.719 -3.115 1.00 0.00 H new ATOM 0 HG SER A 57 5.985 12.859 -2.427 1.00 0.00 H new ATOM 916 N HIS A 58 7.145 14.921 0.469 1.00 0.00 N ATOM 917 CA HIS A 58 7.253 15.116 1.944 1.00 0.00 C ATOM 918 C HIS A 58 8.380 16.098 2.294 1.00 0.00 C ATOM 919 O HIS A 58 8.245 16.913 3.186 1.00 0.00 O ATOM 920 CB HIS A 58 7.534 13.770 2.613 1.00 0.00 C ATOM 921 CG HIS A 58 6.819 13.705 3.934 1.00 0.00 C ATOM 922 ND1 HIS A 58 7.496 13.713 5.143 1.00 0.00 N ATOM 923 CD2 HIS A 58 5.485 13.633 4.251 1.00 0.00 C ATOM 924 CE1 HIS A 58 6.577 13.647 6.124 1.00 0.00 C ATOM 925 NE2 HIS A 58 5.335 13.597 5.634 1.00 0.00 N ATOM 0 H HIS A 58 7.450 14.009 0.129 1.00 0.00 H new ATOM 0 HA HIS A 58 6.311 15.530 2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.203 12.956 1.968 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.606 13.643 2.762 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.676 13.608 3.536 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.814 13.636 7.178 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.463 13.544 6.161 1.00 0.00 H new ATOM 933 N HIS A 59 9.501 16.007 1.629 1.00 0.00 N ATOM 934 CA HIS A 59 10.638 16.907 1.955 1.00 0.00 C ATOM 935 C HIS A 59 10.350 18.346 1.523 1.00 0.00 C ATOM 936 O HIS A 59 10.692 19.279 2.221 1.00 0.00 O ATOM 937 CB HIS A 59 11.886 16.402 1.238 1.00 0.00 C ATOM 938 CG HIS A 59 12.779 15.685 2.213 1.00 0.00 C ATOM 939 ND1 HIS A 59 13.703 16.354 3.000 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.904 14.354 2.538 1.00 0.00 C ATOM 941 CE1 HIS A 59 14.337 15.434 3.751 1.00 0.00 C ATOM 942 NE2 HIS A 59 13.888 14.200 3.509 1.00 0.00 N ATOM 0 H HIS A 59 9.676 15.345 0.873 1.00 0.00 H new ATOM 0 HA HIS A 59 10.788 16.903 3.035 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.604 15.730 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.421 17.238 0.788 1.00 0.00 H new ATOM 0 HD1 HIS A 59 13.872 17.360 3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.326 13.551 2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.115 15.666 4.463 1.00 0.00 H new ATOM 950 N GLU A 60 9.742 18.541 0.376 1.00 0.00 N ATOM 951 CA GLU A 60 9.456 19.936 -0.086 1.00 0.00 C ATOM 952 C GLU A 60 9.008 20.774 1.110 1.00 0.00 C ATOM 953 O GLU A 60 9.247 21.964 1.178 1.00 0.00 O ATOM 954 CB GLU A 60 8.359 19.923 -1.153 1.00 0.00 C ATOM 955 CG GLU A 60 7.114 19.231 -0.602 1.00 0.00 C ATOM 956 CD GLU A 60 5.963 20.236 -0.526 1.00 0.00 C ATOM 957 OE1 GLU A 60 6.240 21.424 -0.504 1.00 0.00 O ATOM 958 OE2 GLU A 60 4.823 19.800 -0.492 1.00 0.00 O ATOM 0 H GLU A 60 9.434 17.801 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 60 10.358 20.367 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.118 20.943 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.711 19.404 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.837 18.393 -1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.320 18.822 0.387 1.00 0.00 H new ATOM 965 N LYS A 61 8.383 20.149 2.066 1.00 0.00 N ATOM 966 CA LYS A 61 7.937 20.886 3.283 1.00 0.00 C ATOM 967 C LYS A 61 8.107 19.974 4.501 1.00 0.00 C ATOM 968 O LYS A 61 7.317 19.080 4.728 1.00 0.00 O ATOM 969 CB LYS A 61 6.463 21.296 3.143 1.00 0.00 C ATOM 970 CG LYS A 61 5.660 20.170 2.483 1.00 0.00 C ATOM 971 CD LYS A 61 5.038 19.284 3.565 1.00 0.00 C ATOM 972 CE LYS A 61 3.519 19.244 3.382 1.00 0.00 C ATOM 973 NZ LYS A 61 2.868 18.971 4.695 1.00 0.00 N ATOM 0 H LYS A 61 8.160 19.154 2.058 1.00 0.00 H new ATOM 0 HA LYS A 61 8.538 21.787 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.046 21.522 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.386 22.205 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.879 20.589 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.309 19.575 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.449 18.276 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.286 19.671 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.165 20.193 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.249 18.471 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.836 18.944 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.197 18.055 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.116 19.723 5.369 1.00 0.00 H new ATOM 987 N ASP A 62 9.134 20.182 5.289 1.00 0.00 N ATOM 988 CA ASP A 62 9.331 19.306 6.479 1.00 0.00 C ATOM 989 C ASP A 62 10.580 19.733 7.244 1.00 0.00 C ATOM 990 O ASP A 62 11.197 18.945 7.933 1.00 0.00 O ATOM 991 CB ASP A 62 9.484 17.858 6.025 1.00 0.00 C ATOM 992 CG ASP A 62 8.645 16.946 6.923 1.00 0.00 C ATOM 993 OD1 ASP A 62 7.441 17.135 6.966 1.00 0.00 O ATOM 994 OD2 ASP A 62 9.221 16.075 7.552 1.00 0.00 O ATOM 0 H ASP A 62 9.835 20.912 5.160 1.00 0.00 H new ATOM 0 HA ASP A 62 8.464 19.396 7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.166 17.756 4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.532 17.562 6.067 1.00 0.00 H new ATOM 999 N THR A 63 10.951 20.973 7.126 1.00 0.00 N ATOM 1000 CA THR A 63 12.164 21.470 7.839 1.00 0.00 C ATOM 1001 C THR A 63 13.262 20.416 7.742 1.00 0.00 C ATOM 1002 O THR A 63 14.109 20.297 8.604 1.00 0.00 O ATOM 1003 CB THR A 63 11.828 21.729 9.310 1.00 0.00 C ATOM 1004 OG1 THR A 63 10.492 21.317 9.568 1.00 0.00 O ATOM 1005 CG2 THR A 63 11.971 23.220 9.616 1.00 0.00 C ATOM 0 H THR A 63 10.465 21.672 6.563 1.00 0.00 H new ATOM 0 HA THR A 63 12.504 22.400 7.383 1.00 0.00 H new ATOM 0 HB THR A 63 12.513 21.165 9.943 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.486 20.372 9.828 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.731 23.401 10.664 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.996 23.535 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.288 23.788 8.984 1.00 0.00 H new ATOM 1013 N ARG A 64 13.248 19.654 6.689 1.00 0.00 N ATOM 1014 CA ARG A 64 14.282 18.602 6.511 1.00 0.00 C ATOM 1015 C ARG A 64 15.200 19.004 5.361 1.00 0.00 C ATOM 1016 O ARG A 64 14.911 18.760 4.207 1.00 0.00 O ATOM 1017 CB ARG A 64 13.606 17.266 6.189 1.00 0.00 C ATOM 1018 CG ARG A 64 12.853 16.764 7.423 1.00 0.00 C ATOM 1019 CD ARG A 64 12.996 15.244 7.525 1.00 0.00 C ATOM 1020 NE ARG A 64 14.430 14.869 7.375 1.00 0.00 N ATOM 1021 CZ ARG A 64 14.773 13.610 7.312 1.00 0.00 C ATOM 1022 NH1 ARG A 64 13.863 12.694 7.126 1.00 0.00 N ATOM 1023 NH2 ARG A 64 16.027 13.271 7.435 1.00 0.00 N ATOM 0 H ARG A 64 12.560 19.715 5.938 1.00 0.00 H new ATOM 0 HA ARG A 64 14.863 18.494 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.916 17.387 5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.352 16.533 5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.248 17.238 8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.800 17.037 7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.617 14.896 8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.399 14.759 6.752 1.00 0.00 H new ATOM 0 HE ARG A 64 15.144 15.595 7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.883 12.961 7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.131 11.711 7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.737 13.988 7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.297 12.289 7.386 1.00 0.00 H new ATOM 1037 N CYS A 65 16.302 19.624 5.675 1.00 0.00 N ATOM 1038 CA CYS A 65 17.256 20.056 4.612 1.00 0.00 C ATOM 1039 C CYS A 65 16.774 21.364 3.968 1.00 0.00 C ATOM 1040 O CYS A 65 17.359 21.838 3.014 1.00 0.00 O ATOM 1041 CB CYS A 65 17.358 18.969 3.538 1.00 0.00 C ATOM 1042 SG CYS A 65 18.914 19.155 2.633 1.00 0.00 S ATOM 0 H CYS A 65 16.586 19.852 6.628 1.00 0.00 H new ATOM 0 HA CYS A 65 18.235 20.219 5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 65 17.309 17.982 3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 65 16.515 19.042 2.851 1.00 0.00 H new ATOM 1047 N LEU A 66 15.721 21.956 4.476 1.00 0.00 N ATOM 1048 CA LEU A 66 15.230 23.230 3.879 1.00 0.00 C ATOM 1049 C LEU A 66 16.420 24.149 3.596 1.00 0.00 C ATOM 1050 O LEU A 66 16.534 24.723 2.531 1.00 0.00 O ATOM 1051 CB LEU A 66 14.275 23.917 4.858 1.00 0.00 C ATOM 1052 CG LEU A 66 12.848 23.832 4.318 1.00 0.00 C ATOM 1053 CD1 LEU A 66 12.337 22.396 4.453 1.00 0.00 C ATOM 1054 CD2 LEU A 66 11.943 24.772 5.116 1.00 0.00 C ATOM 0 H LEU A 66 15.185 21.613 5.273 1.00 0.00 H new ATOM 0 HA LEU A 66 14.704 23.018 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.334 23.440 5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.563 24.960 4.993 1.00 0.00 H new ATOM 0 HG LEU A 66 12.839 24.124 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.319 22.334 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.981 21.726 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.346 22.104 5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.925 24.711 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.951 24.480 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.307 25.795 5.021 1.00 0.00 H new ATOM 1066 N GLY A 67 17.312 24.286 4.538 1.00 0.00 N ATOM 1067 CA GLY A 67 18.498 25.161 4.320 1.00 0.00 C ATOM 1068 C GLY A 67 18.623 26.166 5.481 1.00 0.00 C ATOM 1069 O GLY A 67 19.356 25.930 6.421 1.00 0.00 O ATOM 0 H GLY A 67 17.271 23.830 5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.401 24.555 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.400 25.694 3.374 1.00 0.00 H new ATOM 1073 N ALA A 68 17.915 27.283 5.430 1.00 0.00 N ATOM 1074 CA ALA A 68 18.003 28.291 6.530 1.00 0.00 C ATOM 1075 C ALA A 68 17.619 29.659 5.968 1.00 0.00 C ATOM 1076 O ALA A 68 16.635 30.253 6.360 1.00 0.00 O ATOM 1077 CB ALA A 68 19.434 28.357 7.071 1.00 0.00 C ATOM 0 H ALA A 68 17.282 27.531 4.669 1.00 0.00 H new ATOM 0 HA ALA A 68 17.330 28.006 7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.487 29.095 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 68 19.722 27.380 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 68 20.114 28.644 6.268 1.00 0.00 H new ATOM 1083 N THR A 69 18.390 30.153 5.039 1.00 0.00 N ATOM 1084 CA THR A 69 18.082 31.474 4.426 1.00 0.00 C ATOM 1085 C THR A 69 16.872 31.323 3.498 1.00 0.00 C ATOM 1086 O THR A 69 16.856 30.450 2.657 1.00 0.00 O ATOM 1087 CB THR A 69 19.287 31.941 3.606 1.00 0.00 C ATOM 1088 OG1 THR A 69 20.412 31.131 3.916 1.00 0.00 O ATOM 1089 CG2 THR A 69 19.600 33.401 3.940 1.00 0.00 C ATOM 0 H THR A 69 19.226 29.694 4.676 1.00 0.00 H new ATOM 0 HA THR A 69 17.863 32.203 5.207 1.00 0.00 H new ATOM 0 HB THR A 69 19.058 31.855 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 69 21.184 31.428 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.458 33.732 3.355 1.00 0.00 H new ATOM 0 HG22 THR A 69 18.737 34.022 3.701 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.828 33.490 5.002 1.00 0.00 H new ATOM 1097 N ALA A 70 15.865 32.160 3.609 1.00 0.00 N ATOM 1098 CA ALA A 70 14.711 32.016 2.689 1.00 0.00 C ATOM 1099 C ALA A 70 15.260 31.892 1.270 1.00 0.00 C ATOM 1100 O ALA A 70 14.654 31.291 0.406 1.00 0.00 O ATOM 1101 CB ALA A 70 13.811 33.251 2.790 1.00 0.00 C ATOM 0 H ALA A 70 15.800 32.920 4.286 1.00 0.00 H new ATOM 0 HA ALA A 70 14.122 31.136 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.964 33.141 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.447 33.353 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.381 34.140 2.518 1.00 0.00 H new ATOM 1107 N GLN A 71 16.415 32.456 1.029 1.00 0.00 N ATOM 1108 CA GLN A 71 17.014 32.369 -0.335 1.00 0.00 C ATOM 1109 C GLN A 71 17.463 30.931 -0.604 1.00 0.00 C ATOM 1110 O GLN A 71 17.149 30.355 -1.625 1.00 0.00 O ATOM 1111 CB GLN A 71 18.218 33.309 -0.427 1.00 0.00 C ATOM 1112 CG GLN A 71 18.486 33.649 -1.895 1.00 0.00 C ATOM 1113 CD GLN A 71 18.750 32.362 -2.679 1.00 0.00 C ATOM 1114 OE1 GLN A 71 19.755 31.709 -2.476 1.00 0.00 O ATOM 1115 NE2 GLN A 71 17.886 31.966 -3.573 1.00 0.00 N ATOM 0 H GLN A 71 16.967 32.971 1.715 1.00 0.00 H new ATOM 0 HA GLN A 71 16.271 32.661 -1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 71 18.026 34.220 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 71 19.096 32.838 0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.631 34.176 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.344 34.317 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.042 32.513 -3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.054 31.109 -4.101 1.00 0.00 H new ATOM 1124 N GLN A 72 18.192 30.346 0.306 1.00 0.00 N ATOM 1125 CA GLN A 72 18.652 28.943 0.098 1.00 0.00 C ATOM 1126 C GLN A 72 17.431 28.037 -0.068 1.00 0.00 C ATOM 1127 O GLN A 72 17.477 27.031 -0.750 1.00 0.00 O ATOM 1128 CB GLN A 72 19.470 28.488 1.309 1.00 0.00 C ATOM 1129 CG GLN A 72 20.619 29.469 1.545 1.00 0.00 C ATOM 1130 CD GLN A 72 21.590 29.413 0.364 1.00 0.00 C ATOM 1131 OE1 GLN A 72 21.757 28.378 -0.252 1.00 0.00 O ATOM 1132 NE2 GLN A 72 22.241 30.489 0.017 1.00 0.00 N ATOM 0 H GLN A 72 18.489 30.776 1.182 1.00 0.00 H new ATOM 0 HA GLN A 72 19.274 28.887 -0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.834 28.437 2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 72 19.863 27.485 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 72 20.229 30.480 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.140 29.220 2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 72 22.102 31.358 0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.889 30.461 -0.770 1.00 0.00 H new ATOM 1141 N PHE A 73 16.337 28.391 0.549 1.00 0.00 N ATOM 1142 CA PHE A 73 15.106 27.561 0.430 1.00 0.00 C ATOM 1143 C PHE A 73 14.719 27.433 -1.045 1.00 0.00 C ATOM 1144 O PHE A 73 14.215 26.416 -1.479 1.00 0.00 O ATOM 1145 CB PHE A 73 13.969 28.234 1.203 1.00 0.00 C ATOM 1146 CG PHE A 73 12.714 27.398 1.096 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.536 26.292 1.936 1.00 0.00 C ATOM 1148 CD2 PHE A 73 11.728 27.732 0.160 1.00 0.00 C ATOM 1149 CE1 PHE A 73 11.371 25.520 1.838 1.00 0.00 C ATOM 1150 CE2 PHE A 73 10.564 26.960 0.064 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.386 25.855 0.903 1.00 0.00 C ATOM 0 H PHE A 73 16.243 29.222 1.132 1.00 0.00 H new ATOM 0 HA PHE A 73 15.290 26.569 0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.249 28.354 2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 73 13.787 29.232 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.296 26.034 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.865 28.585 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.233 24.666 2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.803 27.218 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.488 25.260 0.829 1.00 0.00 H new ATOM 1161 N HIS A 74 14.951 28.458 -1.822 1.00 0.00 N ATOM 1162 CA HIS A 74 14.597 28.390 -3.266 1.00 0.00 C ATOM 1163 C HIS A 74 15.248 27.170 -3.887 1.00 0.00 C ATOM 1164 O HIS A 74 14.717 26.529 -4.771 1.00 0.00 O ATOM 1165 CB HIS A 74 15.094 29.653 -3.967 1.00 0.00 C ATOM 1166 CG HIS A 74 14.023 30.175 -4.885 1.00 0.00 C ATOM 1167 ND1 HIS A 74 12.970 29.385 -5.317 1.00 0.00 N ATOM 1168 CD2 HIS A 74 13.828 31.406 -5.460 1.00 0.00 C ATOM 1169 CE1 HIS A 74 12.196 30.141 -6.116 1.00 0.00 C ATOM 1170 NE2 HIS A 74 12.674 31.383 -6.238 1.00 0.00 N ATOM 0 H HIS A 74 15.370 29.337 -1.518 1.00 0.00 H new ATOM 0 HA HIS A 74 13.515 28.316 -3.377 1.00 0.00 H new ATOM 0 HB2 HIS A 74 15.356 30.411 -3.229 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.999 29.434 -4.534 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.472 32.263 -5.329 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.298 29.787 -6.600 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.279 32.149 -6.783 1.00 0.00 H new ATOM 1178 N ARG A 75 16.394 26.855 -3.406 1.00 0.00 N ATOM 1179 CA ARG A 75 17.134 25.667 -3.920 1.00 0.00 C ATOM 1180 C ARG A 75 16.403 24.402 -3.472 1.00 0.00 C ATOM 1181 O ARG A 75 16.325 23.428 -4.194 1.00 0.00 O ATOM 1182 CB ARG A 75 18.557 25.663 -3.355 1.00 0.00 C ATOM 1183 CG ARG A 75 19.330 24.474 -3.929 1.00 0.00 C ATOM 1184 CD ARG A 75 20.589 24.977 -4.639 1.00 0.00 C ATOM 1185 NE ARG A 75 21.431 23.815 -5.041 1.00 0.00 N ATOM 1186 CZ ARG A 75 22.682 23.996 -5.364 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.004 24.274 -6.598 1.00 0.00 N ATOM 1188 NH2 ARG A 75 23.613 23.898 -4.455 1.00 0.00 N ATOM 0 H ARG A 75 16.870 27.370 -2.665 1.00 0.00 H new ATOM 0 HA ARG A 75 17.183 25.703 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.063 26.595 -3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.528 25.601 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.602 23.784 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 75 18.702 23.922 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.315 25.562 -5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.152 25.637 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 75 21.029 22.878 -5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 75 22.278 24.350 -7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 75 23.982 24.416 -6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.363 23.680 -3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 75 24.591 24.040 -4.709 1.00 0.00 H new ATOM 1202 N HIS A 76 15.856 24.416 -2.288 1.00 0.00 N ATOM 1203 CA HIS A 76 15.117 23.224 -1.793 1.00 0.00 C ATOM 1204 C HIS A 76 13.921 22.968 -2.712 1.00 0.00 C ATOM 1205 O HIS A 76 13.702 21.864 -3.170 1.00 0.00 O ATOM 1206 CB HIS A 76 14.626 23.493 -0.368 1.00 0.00 C ATOM 1207 CG HIS A 76 13.637 22.435 0.035 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.874 21.084 -0.160 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.403 22.517 0.630 1.00 0.00 C ATOM 1210 CE1 HIS A 76 12.808 20.413 0.311 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.881 21.238 0.805 1.00 0.00 N ATOM 0 H HIS A 76 15.890 25.204 -1.641 1.00 0.00 H new ATOM 0 HA HIS A 76 15.770 22.351 -1.790 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.469 23.498 0.323 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.162 24.478 -0.313 1.00 0.00 H new ATOM 0 HD1 HIS A 76 14.706 20.673 -0.584 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.911 23.434 0.919 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.713 19.337 0.292 1.00 0.00 H new ATOM 1219 N LYS A 77 13.151 23.984 -2.988 1.00 0.00 N ATOM 1220 CA LYS A 77 11.969 23.808 -3.879 1.00 0.00 C ATOM 1221 C LYS A 77 12.433 23.471 -5.299 1.00 0.00 C ATOM 1222 O LYS A 77 11.747 22.796 -6.040 1.00 0.00 O ATOM 1223 CB LYS A 77 11.155 25.103 -3.905 1.00 0.00 C ATOM 1224 CG LYS A 77 10.597 25.384 -2.508 1.00 0.00 C ATOM 1225 CD LYS A 77 9.070 25.440 -2.569 1.00 0.00 C ATOM 1226 CE LYS A 77 8.488 24.135 -2.022 1.00 0.00 C ATOM 1227 NZ LYS A 77 7.064 24.013 -2.441 1.00 0.00 N ATOM 0 H LYS A 77 13.289 24.931 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 77 11.352 22.993 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.782 25.933 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.340 25.018 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.915 24.606 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.991 26.328 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.703 26.286 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.742 25.594 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.061 23.285 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.561 24.119 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.615 23.231 -1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.563 24.900 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.018 23.823 -3.462 1.00 0.00 H new ATOM 1241 N GLN A 78 13.587 23.940 -5.689 1.00 0.00 N ATOM 1242 CA GLN A 78 14.090 23.652 -7.057 1.00 0.00 C ATOM 1243 C GLN A 78 14.343 22.155 -7.205 1.00 0.00 C ATOM 1244 O GLN A 78 13.899 21.527 -8.144 1.00 0.00 O ATOM 1245 CB GLN A 78 15.404 24.396 -7.247 1.00 0.00 C ATOM 1246 CG GLN A 78 15.333 25.257 -8.510 1.00 0.00 C ATOM 1247 CD GLN A 78 16.294 26.441 -8.380 1.00 0.00 C ATOM 1248 OE1 GLN A 78 16.923 26.617 -7.355 1.00 0.00 O ATOM 1249 NE2 GLN A 78 16.435 27.264 -9.383 1.00 0.00 N ATOM 0 H GLN A 78 14.204 24.513 -5.114 1.00 0.00 H new ATOM 0 HA GLN A 78 13.357 23.969 -7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.606 25.023 -6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.227 23.686 -7.326 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.592 24.660 -9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.315 25.617 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 78 15.907 27.115 -10.243 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.074 28.056 -9.307 1.00 0.00 H new ATOM 1258 N LEU A 79 15.059 21.583 -6.281 1.00 0.00 N ATOM 1259 CA LEU A 79 15.352 20.132 -6.350 1.00 0.00 C ATOM 1260 C LEU A 79 14.052 19.359 -6.194 1.00 0.00 C ATOM 1261 O LEU A 79 13.896 18.306 -6.754 1.00 0.00 O ATOM 1262 CB LEU A 79 16.350 19.736 -5.254 1.00 0.00 C ATOM 1263 CG LEU A 79 15.646 19.652 -3.897 1.00 0.00 C ATOM 1264 CD1 LEU A 79 15.504 18.185 -3.489 1.00 0.00 C ATOM 1265 CD2 LEU A 79 16.477 20.392 -2.848 1.00 0.00 C ATOM 0 H LEU A 79 15.456 22.065 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 79 15.801 19.895 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.803 18.775 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 79 17.158 20.466 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 79 14.659 20.108 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 79 15.003 18.123 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.916 17.654 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.492 17.731 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.978 20.334 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 79 17.463 19.934 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 79 16.583 21.437 -3.139 1.00 0.00 H new ATOM 1277 N ILE A 80 13.112 19.871 -5.448 1.00 0.00 N ATOM 1278 CA ILE A 80 11.822 19.141 -5.312 1.00 0.00 C ATOM 1279 C ILE A 80 11.061 19.225 -6.636 1.00 0.00 C ATOM 1280 O ILE A 80 10.323 18.332 -6.992 1.00 0.00 O ATOM 1281 CB ILE A 80 10.969 19.752 -4.194 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.647 19.571 -2.826 1.00 0.00 C ATOM 1283 CG2 ILE A 80 9.603 19.064 -4.165 1.00 0.00 C ATOM 1284 CD1 ILE A 80 12.468 18.278 -2.792 1.00 0.00 C ATOM 0 H ILE A 80 13.179 20.750 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 80 12.028 18.101 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 80 10.854 20.818 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.294 20.424 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.891 19.548 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.995 19.497 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.104 19.206 -5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.736 17.998 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.938 18.171 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.813 17.426 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.238 18.315 -3.563 1.00 0.00 H new ATOM 1296 N ARG A 81 11.237 20.288 -7.382 1.00 0.00 N ATOM 1297 CA ARG A 81 10.534 20.400 -8.682 1.00 0.00 C ATOM 1298 C ARG A 81 11.156 19.392 -9.638 1.00 0.00 C ATOM 1299 O ARG A 81 10.475 18.689 -10.353 1.00 0.00 O ATOM 1300 CB ARG A 81 10.707 21.813 -9.238 1.00 0.00 C ATOM 1301 CG ARG A 81 9.342 22.370 -9.649 1.00 0.00 C ATOM 1302 CD ARG A 81 9.535 23.491 -10.671 1.00 0.00 C ATOM 1303 NE ARG A 81 10.102 22.926 -11.927 1.00 0.00 N ATOM 1304 CZ ARG A 81 10.876 23.658 -12.681 1.00 0.00 C ATOM 1305 NH1 ARG A 81 10.351 24.504 -13.526 1.00 0.00 N ATOM 1306 NH2 ARG A 81 12.173 23.542 -12.592 1.00 0.00 N ATOM 0 H ARG A 81 11.837 21.077 -7.141 1.00 0.00 H new ATOM 0 HA ARG A 81 9.469 20.200 -8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.164 22.458 -8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.379 21.798 -10.096 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.727 21.577 -10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.813 22.748 -8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.582 23.978 -10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.202 24.253 -10.269 1.00 0.00 H new ATOM 0 HE ARG A 81 9.885 21.967 -12.198 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.337 24.592 -13.596 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.955 25.077 -14.116 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.582 22.879 -11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.778 24.114 -13.181 1.00 0.00 H new ATOM 1320 N PHE A 82 12.460 19.317 -9.644 1.00 0.00 N ATOM 1321 CA PHE A 82 13.152 18.370 -10.521 1.00 0.00 C ATOM 1322 C PHE A 82 12.919 16.947 -10.012 1.00 0.00 C ATOM 1323 O PHE A 82 12.838 16.017 -10.792 1.00 0.00 O ATOM 1324 CB PHE A 82 14.636 18.719 -10.509 1.00 0.00 C ATOM 1325 CG PHE A 82 14.897 19.840 -11.487 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.454 19.731 -12.810 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.581 20.987 -11.070 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.696 20.771 -13.718 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.822 22.027 -11.976 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.380 21.919 -13.300 1.00 0.00 C ATOM 0 H PHE A 82 13.073 19.889 -9.062 1.00 0.00 H new ATOM 0 HA PHE A 82 12.773 18.430 -11.541 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.942 19.018 -9.507 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.229 17.844 -10.776 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.926 18.846 -13.131 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.923 21.070 -10.049 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.355 20.687 -14.739 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.349 22.913 -11.653 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.567 22.721 -13.999 1.00 0.00 H new ATOM 1340 N LEU A 83 12.783 16.749 -8.720 1.00 0.00 N ATOM 1341 CA LEU A 83 12.528 15.365 -8.242 1.00 0.00 C ATOM 1342 C LEU A 83 11.170 14.936 -8.758 1.00 0.00 C ATOM 1343 O LEU A 83 10.996 13.898 -9.362 1.00 0.00 O ATOM 1344 CB LEU A 83 12.506 15.350 -6.723 1.00 0.00 C ATOM 1345 CG LEU A 83 13.934 15.222 -6.195 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.914 15.140 -4.668 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.590 13.954 -6.753 1.00 0.00 C ATOM 0 H LEU A 83 12.837 17.468 -7.999 1.00 0.00 H new ATOM 0 HA LEU A 83 13.308 14.692 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.048 16.264 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.899 14.519 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 83 14.504 16.096 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.934 15.049 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.458 16.043 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.335 14.270 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.607 13.872 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.015 13.081 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.615 14.006 -7.841 1.00 0.00 H new ATOM 1359 N LYS A 84 10.220 15.768 -8.522 1.00 0.00 N ATOM 1360 CA LYS A 84 8.832 15.506 -8.983 1.00 0.00 C ATOM 1361 C LYS A 84 8.841 15.297 -10.491 1.00 0.00 C ATOM 1362 O LYS A 84 8.121 14.475 -11.009 1.00 0.00 O ATOM 1363 CB LYS A 84 7.939 16.699 -8.633 1.00 0.00 C ATOM 1364 CG LYS A 84 6.544 16.483 -9.223 1.00 0.00 C ATOM 1365 CD LYS A 84 6.381 17.344 -10.476 1.00 0.00 C ATOM 1366 CE LYS A 84 6.310 18.819 -10.077 1.00 0.00 C ATOM 1367 NZ LYS A 84 5.948 19.640 -11.267 1.00 0.00 N ATOM 0 H LYS A 84 10.340 16.645 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 84 8.443 14.614 -8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.874 16.813 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.373 17.619 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.401 15.431 -9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.782 16.744 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.218 17.180 -11.154 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.476 17.057 -11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.571 18.958 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.270 19.145 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.900 20.643 -10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.669 19.516 -12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.023 19.335 -11.631 1.00 0.00 H new ATOM 1381 N ARG A 85 9.664 16.012 -11.210 1.00 0.00 N ATOM 1382 CA ARG A 85 9.702 15.795 -12.677 1.00 0.00 C ATOM 1383 C ARG A 85 10.076 14.341 -12.902 1.00 0.00 C ATOM 1384 O ARG A 85 9.588 13.677 -13.795 1.00 0.00 O ATOM 1385 CB ARG A 85 10.745 16.715 -13.318 1.00 0.00 C ATOM 1386 CG ARG A 85 10.143 18.106 -13.523 1.00 0.00 C ATOM 1387 CD ARG A 85 11.200 19.040 -14.114 1.00 0.00 C ATOM 1388 NE ARG A 85 11.561 18.577 -15.484 1.00 0.00 N ATOM 1389 CZ ARG A 85 11.720 19.447 -16.445 1.00 0.00 C ATOM 1390 NH1 ARG A 85 10.925 20.477 -16.530 1.00 0.00 N ATOM 1391 NH2 ARG A 85 12.673 19.283 -17.322 1.00 0.00 N ATOM 0 H ARG A 85 10.300 16.724 -10.850 1.00 0.00 H new ATOM 0 HA ARG A 85 8.736 16.021 -13.129 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.628 16.780 -12.682 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.070 16.303 -14.274 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.282 18.046 -14.189 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.784 18.502 -12.573 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.819 20.060 -14.152 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.085 19.054 -13.478 1.00 0.00 H new ATOM 0 HE ARG A 85 11.684 17.582 -15.671 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.179 20.603 -15.846 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.049 21.157 -17.281 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.293 18.476 -17.256 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.798 19.962 -18.073 1.00 0.00 H new ATOM 1405 N LEU A 86 10.939 13.852 -12.070 1.00 0.00 N ATOM 1406 CA LEU A 86 11.381 12.436 -12.171 1.00 0.00 C ATOM 1407 C LEU A 86 10.245 11.488 -11.756 1.00 0.00 C ATOM 1408 O LEU A 86 10.124 10.408 -12.284 1.00 0.00 O ATOM 1409 CB LEU A 86 12.596 12.217 -11.261 1.00 0.00 C ATOM 1410 CG LEU A 86 13.220 10.839 -11.526 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.273 10.570 -13.034 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.641 10.813 -10.960 1.00 0.00 C ATOM 0 H LEU A 86 11.367 14.380 -11.309 1.00 0.00 H new ATOM 0 HA LEU A 86 11.652 12.222 -13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.336 12.998 -11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.294 12.292 -10.216 1.00 0.00 H new ATOM 0 HG LEU A 86 12.613 10.072 -11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.717 9.591 -13.214 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.263 10.591 -13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.877 11.337 -13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.089 9.837 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.240 11.585 -11.444 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.609 10.999 -9.887 1.00 0.00 H new ATOM 1424 N ASP A 87 9.417 11.859 -10.807 1.00 0.00 N ATOM 1425 CA ASP A 87 8.320 10.932 -10.399 1.00 0.00 C ATOM 1426 C ASP A 87 7.267 10.832 -11.512 1.00 0.00 C ATOM 1427 O ASP A 87 6.830 9.756 -11.869 1.00 0.00 O ATOM 1428 CB ASP A 87 7.664 11.456 -9.120 1.00 0.00 C ATOM 1429 CG ASP A 87 6.519 10.527 -8.718 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.683 9.325 -8.846 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.495 11.033 -8.286 1.00 0.00 O ATOM 0 H ASP A 87 9.453 12.747 -10.307 1.00 0.00 H new ATOM 0 HA ASP A 87 8.739 9.942 -10.220 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.400 11.512 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.288 12.467 -9.279 1.00 0.00 H new ATOM 1436 N ARG A 88 6.848 11.944 -12.052 1.00 0.00 N ATOM 1437 CA ARG A 88 5.813 11.924 -13.130 1.00 0.00 C ATOM 1438 C ARG A 88 6.340 11.182 -14.368 1.00 0.00 C ATOM 1439 O ARG A 88 5.648 10.385 -14.969 1.00 0.00 O ATOM 1440 CB ARG A 88 5.472 13.362 -13.520 1.00 0.00 C ATOM 1441 CG ARG A 88 3.996 13.446 -13.920 1.00 0.00 C ATOM 1442 CD ARG A 88 3.737 14.768 -14.645 1.00 0.00 C ATOM 1443 NE ARG A 88 2.340 15.213 -14.381 1.00 0.00 N ATOM 1444 CZ ARG A 88 2.107 16.433 -13.984 1.00 0.00 C ATOM 1445 NH1 ARG A 88 2.284 16.758 -12.732 1.00 0.00 N ATOM 1446 NH2 ARG A 88 1.696 17.329 -14.839 1.00 0.00 N ATOM 0 H ARG A 88 7.179 12.873 -11.792 1.00 0.00 H new ATOM 0 HA ARG A 88 4.926 11.410 -12.759 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.672 14.034 -12.685 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.103 13.685 -14.348 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.735 12.608 -14.566 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.364 13.375 -13.035 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.442 15.526 -14.304 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.894 14.645 -15.716 1.00 0.00 H new ATOM 0 HE ARG A 88 1.565 14.563 -14.511 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.605 16.057 -12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.102 17.713 -12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.557 17.075 -15.817 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.513 18.284 -14.529 1.00 0.00 H new ATOM 1460 N ASN A 89 7.555 11.458 -14.760 1.00 0.00 N ATOM 1461 CA ASN A 89 8.132 10.788 -15.981 1.00 0.00 C ATOM 1462 C ASN A 89 8.407 9.308 -15.690 1.00 0.00 C ATOM 1463 O ASN A 89 8.088 8.438 -16.472 1.00 0.00 O ATOM 1464 CB ASN A 89 9.444 11.503 -16.412 1.00 0.00 C ATOM 1465 CG ASN A 89 10.628 10.526 -16.450 1.00 0.00 C ATOM 1466 OD1 ASN A 89 11.602 10.707 -15.748 1.00 0.00 O ATOM 1467 ND2 ASN A 89 10.576 9.487 -17.239 1.00 0.00 N ATOM 0 H ASN A 89 8.179 12.117 -14.294 1.00 0.00 H new ATOM 0 HA ASN A 89 7.411 10.857 -16.795 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.309 11.952 -17.396 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.662 12.315 -15.718 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.354 8.827 -17.266 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.758 9.335 -17.829 1.00 0.00 H new ATOM 1474 N LEU A 90 9.038 9.032 -14.592 1.00 0.00 N ATOM 1475 CA LEU A 90 9.384 7.638 -14.245 1.00 0.00 C ATOM 1476 C LEU A 90 8.154 6.730 -14.359 1.00 0.00 C ATOM 1477 O LEU A 90 8.269 5.557 -14.646 1.00 0.00 O ATOM 1478 CB LEU A 90 9.929 7.629 -12.817 1.00 0.00 C ATOM 1479 CG LEU A 90 10.625 6.299 -12.526 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.522 5.936 -13.706 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.485 6.439 -11.266 1.00 0.00 C ATOM 0 H LEU A 90 9.334 9.728 -13.908 1.00 0.00 H new ATOM 0 HA LEU A 90 10.136 7.256 -14.936 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.631 8.452 -12.683 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.115 7.785 -12.108 1.00 0.00 H new ATOM 0 HG LEU A 90 9.878 5.520 -12.374 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.022 4.988 -13.505 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.917 5.843 -14.608 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.269 6.717 -13.849 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.982 5.491 -11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.234 7.215 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.852 6.710 -10.421 1.00 0.00 H new ATOM 1493 N TRP A 91 6.982 7.255 -14.141 1.00 0.00 N ATOM 1494 CA TRP A 91 5.759 6.418 -14.243 1.00 0.00 C ATOM 1495 C TRP A 91 5.505 6.061 -15.715 1.00 0.00 C ATOM 1496 O TRP A 91 5.068 4.970 -16.026 1.00 0.00 O ATOM 1497 CB TRP A 91 4.566 7.195 -13.670 1.00 0.00 C ATOM 1498 CG TRP A 91 4.593 7.137 -12.185 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.713 8.208 -11.386 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.485 5.977 -11.313 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.696 7.790 -10.067 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.557 6.418 -9.971 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.337 4.598 -11.552 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.482 5.525 -8.903 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.261 3.697 -10.478 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.334 4.159 -9.156 1.00 0.00 C ATOM 0 H TRP A 91 6.819 8.232 -13.896 1.00 0.00 H new ATOM 0 HA TRP A 91 5.890 5.497 -13.675 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.602 8.232 -14.003 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.633 6.773 -14.043 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.808 9.231 -11.719 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.776 8.416 -9.266 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.282 4.231 -12.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.538 5.887 -7.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.146 2.641 -10.671 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.276 3.460 -8.335 1.00 0.00 H new ATOM 1517 N GLY A 92 5.777 6.965 -16.629 1.00 0.00 N ATOM 1518 CA GLY A 92 5.551 6.655 -18.068 1.00 0.00 C ATOM 1519 C GLY A 92 6.590 5.643 -18.552 1.00 0.00 C ATOM 1520 O GLY A 92 6.269 4.647 -19.168 1.00 0.00 O ATOM 0 H GLY A 92 6.143 7.897 -16.437 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.547 6.254 -18.209 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.616 7.568 -18.660 1.00 0.00 H new ATOM 1524 N LEU A 93 7.841 5.907 -18.290 1.00 0.00 N ATOM 1525 CA LEU A 93 8.921 4.984 -18.743 1.00 0.00 C ATOM 1526 C LEU A 93 8.713 3.603 -18.103 1.00 0.00 C ATOM 1527 O LEU A 93 8.869 2.585 -18.749 1.00 0.00 O ATOM 1528 CB LEU A 93 10.285 5.598 -18.335 1.00 0.00 C ATOM 1529 CG LEU A 93 11.500 4.772 -18.818 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.775 5.464 -18.333 1.00 0.00 C ATOM 1531 CD2 LEU A 93 11.452 3.357 -18.238 1.00 0.00 C ATOM 0 H LEU A 93 8.164 6.728 -17.778 1.00 0.00 H new ATOM 0 HA LEU A 93 8.899 4.856 -19.825 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.357 6.607 -18.741 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.324 5.688 -17.249 1.00 0.00 H new ATOM 0 HG LEU A 93 11.482 4.705 -19.906 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.645 4.897 -18.663 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.821 6.472 -18.745 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.769 5.517 -17.244 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.315 2.791 -18.589 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.470 3.409 -17.149 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.537 2.862 -18.562 1.00 0.00 H new ATOM 1543 N ALA A 94 8.355 3.553 -16.847 1.00 0.00 N ATOM 1544 CA ALA A 94 8.132 2.234 -16.190 1.00 0.00 C ATOM 1545 C ALA A 94 7.056 1.465 -16.959 1.00 0.00 C ATOM 1546 O ALA A 94 7.303 0.402 -17.495 1.00 0.00 O ATOM 1547 CB ALA A 94 7.671 2.453 -14.748 1.00 0.00 C ATOM 0 H ALA A 94 8.208 4.367 -16.250 1.00 0.00 H new ATOM 0 HA ALA A 94 9.061 1.663 -16.189 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.508 1.488 -14.268 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.435 3.006 -14.202 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.741 3.021 -14.746 1.00 0.00 H new ATOM 1553 N GLY A 95 5.865 1.998 -17.028 1.00 0.00 N ATOM 1554 CA GLY A 95 4.780 1.299 -17.776 1.00 0.00 C ATOM 1555 C GLY A 95 3.721 0.761 -16.807 1.00 0.00 C ATOM 1556 O GLY A 95 2.610 0.466 -17.199 1.00 0.00 O ATOM 0 H GLY A 95 5.597 2.884 -16.600 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.318 1.986 -18.485 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.201 0.478 -18.357 1.00 0.00 H new ATOM 1560 N LEU A 96 4.050 0.619 -15.551 1.00 0.00 N ATOM 1561 CA LEU A 96 3.054 0.092 -14.581 1.00 0.00 C ATOM 1562 C LEU A 96 2.678 1.186 -13.579 1.00 0.00 C ATOM 1563 O LEU A 96 3.347 2.194 -13.462 1.00 0.00 O ATOM 1564 CB LEU A 96 3.668 -1.084 -13.829 1.00 0.00 C ATOM 1565 CG LEU A 96 2.575 -2.094 -13.471 1.00 0.00 C ATOM 1566 CD1 LEU A 96 2.543 -3.204 -14.524 1.00 0.00 C ATOM 1567 CD2 LEU A 96 2.872 -2.701 -12.099 1.00 0.00 C ATOM 0 H LEU A 96 4.964 0.845 -15.158 1.00 0.00 H new ATOM 0 HA LEU A 96 2.161 -0.230 -15.116 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.432 -1.562 -14.443 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.162 -0.731 -12.923 1.00 0.00 H new ATOM 0 HG LEU A 96 1.609 -1.590 -13.444 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.765 -3.924 -14.270 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.332 -2.772 -15.502 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.509 -3.708 -14.551 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.094 -3.420 -11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.838 -3.205 -12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.896 -1.911 -11.349 1.00 0.00 H new ATOM 1579 N ASN A 97 1.611 0.989 -12.854 1.00 0.00 N ATOM 1580 CA ASN A 97 1.179 2.008 -11.853 1.00 0.00 C ATOM 1581 C ASN A 97 0.614 1.303 -10.616 1.00 0.00 C ATOM 1582 O ASN A 97 -0.340 1.755 -10.013 1.00 0.00 O ATOM 1583 CB ASN A 97 0.100 2.899 -12.470 1.00 0.00 C ATOM 1584 CG ASN A 97 -0.191 4.071 -11.530 1.00 0.00 C ATOM 1585 OD1 ASN A 97 0.672 4.503 -10.791 1.00 0.00 O ATOM 1586 ND2 ASN A 97 -1.380 4.609 -11.527 1.00 0.00 N ATOM 0 H ASN A 97 1.016 0.162 -12.912 1.00 0.00 H new ATOM 0 HA ASN A 97 2.034 2.619 -11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.430 3.270 -13.440 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.809 2.322 -12.642 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.584 5.391 -10.905 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.105 4.247 -12.147 1.00 0.00 H new ATOM 1593 N SER A 98 1.198 0.201 -10.232 1.00 0.00 N ATOM 1594 CA SER A 98 0.704 -0.536 -9.034 1.00 0.00 C ATOM 1595 C SER A 98 1.908 -1.031 -8.232 1.00 0.00 C ATOM 1596 O SER A 98 2.195 -2.211 -8.187 1.00 0.00 O ATOM 1597 CB SER A 98 -0.139 -1.733 -9.481 1.00 0.00 C ATOM 1598 OG SER A 98 -0.783 -1.425 -10.709 1.00 0.00 O ATOM 0 H SER A 98 2.000 -0.223 -10.699 1.00 0.00 H new ATOM 0 HA SER A 98 0.092 0.123 -8.418 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.493 -2.613 -9.600 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.881 -1.974 -8.719 1.00 0.00 H new ATOM 0 HG SER A 98 -1.322 -2.191 -10.997 1.00 0.00 H new ATOM 1604 N CYS A 99 2.629 -0.136 -7.614 1.00 0.00 N ATOM 1605 CA CYS A 99 3.831 -0.549 -6.836 1.00 0.00 C ATOM 1606 C CYS A 99 3.950 0.296 -5.564 1.00 0.00 C ATOM 1607 O CYS A 99 4.773 1.187 -5.496 1.00 0.00 O ATOM 1608 CB CYS A 99 5.085 -0.344 -7.695 1.00 0.00 C ATOM 1609 SG CYS A 99 4.844 1.066 -8.811 1.00 0.00 S ATOM 0 H CYS A 99 2.437 0.866 -7.614 1.00 0.00 H new ATOM 0 HA CYS A 99 3.734 -1.599 -6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.950 -0.169 -7.055 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.292 -1.245 -8.272 1.00 0.00 H new ATOM 1614 N PRO A 100 3.138 -0.016 -4.585 1.00 0.00 N ATOM 1615 CA PRO A 100 3.138 0.696 -3.268 1.00 0.00 C ATOM 1616 C PRO A 100 4.412 0.360 -2.485 1.00 0.00 C ATOM 1617 O PRO A 100 5.414 -0.023 -3.055 1.00 0.00 O ATOM 1618 CB PRO A 100 1.894 0.151 -2.576 1.00 0.00 C ATOM 1619 CG PRO A 100 1.594 -1.192 -3.220 1.00 0.00 C ATOM 1620 CD PRO A 100 2.121 -1.118 -4.653 1.00 0.00 C ATOM 0 HA PRO A 100 3.122 1.782 -3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.064 0.038 -1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.053 0.834 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.076 -2.001 -2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.523 -1.395 -3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.569 -2.061 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.326 -0.890 -5.364 1.00 0.00 H new ATOM 1628 N VAL A 101 4.386 0.498 -1.187 1.00 0.00 N ATOM 1629 CA VAL A 101 5.606 0.183 -0.388 1.00 0.00 C ATOM 1630 C VAL A 101 5.511 -1.245 0.150 1.00 0.00 C ATOM 1631 O VAL A 101 5.876 -2.195 -0.516 1.00 0.00 O ATOM 1632 CB VAL A 101 5.740 1.168 0.780 1.00 0.00 C ATOM 1633 CG1 VAL A 101 6.498 2.411 0.312 1.00 0.00 C ATOM 1634 CG2 VAL A 101 4.352 1.579 1.282 1.00 0.00 C ATOM 0 H VAL A 101 3.579 0.813 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 101 6.484 0.272 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 101 6.286 0.687 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.594 3.112 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.490 2.123 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.951 2.885 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.457 2.278 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.799 2.056 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.811 0.695 1.619 1.00 0.00 H new ATOM 1644 N LYS A 102 5.029 -1.412 1.352 1.00 0.00 N ATOM 1645 CA LYS A 102 4.923 -2.781 1.925 1.00 0.00 C ATOM 1646 C LYS A 102 6.301 -3.431 1.919 1.00 0.00 C ATOM 1647 O LYS A 102 6.560 -4.374 1.199 1.00 0.00 O ATOM 1648 CB LYS A 102 3.951 -3.620 1.091 1.00 0.00 C ATOM 1649 CG LYS A 102 2.583 -2.934 1.061 1.00 0.00 C ATOM 1650 CD LYS A 102 1.969 -2.955 2.461 1.00 0.00 C ATOM 1651 CE LYS A 102 1.252 -1.629 2.725 1.00 0.00 C ATOM 1652 NZ LYS A 102 2.192 -0.680 3.389 1.00 0.00 N ATOM 0 H LYS A 102 4.705 -0.660 1.960 1.00 0.00 H new ATOM 0 HA LYS A 102 4.550 -2.721 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.333 -3.738 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.859 -4.620 1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.688 -1.906 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.925 -3.443 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.267 -3.784 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.746 -3.115 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.892 -1.205 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.379 -1.795 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.020 0.283 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.040 -0.704 4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.172 -0.957 3.177 1.00 0.00 H new ATOM 1666 N GLU A 103 7.187 -2.924 2.724 1.00 0.00 N ATOM 1667 CA GLU A 103 8.562 -3.493 2.783 1.00 0.00 C ATOM 1668 C GLU A 103 9.411 -2.672 3.757 1.00 0.00 C ATOM 1669 O GLU A 103 9.460 -1.460 3.682 1.00 0.00 O ATOM 1670 CB GLU A 103 9.194 -3.447 1.392 1.00 0.00 C ATOM 1671 CG GLU A 103 10.639 -3.947 1.472 1.00 0.00 C ATOM 1672 CD GLU A 103 10.724 -5.364 0.903 1.00 0.00 C ATOM 1673 OE1 GLU A 103 9.893 -5.698 0.073 1.00 0.00 O ATOM 1674 OE2 GLU A 103 11.616 -6.091 1.307 1.00 0.00 O ATOM 0 H GLU A 103 7.019 -2.135 3.348 1.00 0.00 H new ATOM 0 HA GLU A 103 8.513 -4.527 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.622 -4.065 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.171 -2.429 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.297 -3.280 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.980 -3.939 2.507 1.00 0.00 H new ATOM 1681 N ALA A 104 10.078 -3.322 4.670 1.00 0.00 N ATOM 1682 CA ALA A 104 10.920 -2.577 5.649 1.00 0.00 C ATOM 1683 C ALA A 104 12.239 -2.168 4.985 1.00 0.00 C ATOM 1684 O ALA A 104 12.371 -1.072 4.478 1.00 0.00 O ATOM 1685 CB ALA A 104 11.209 -3.471 6.856 1.00 0.00 C ATOM 0 H ALA A 104 10.077 -4.336 4.781 1.00 0.00 H new ATOM 0 HA ALA A 104 10.390 -1.683 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.825 -2.927 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.270 -3.758 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.739 -4.365 6.528 1.00 0.00 H new ATOM 1691 N ASN A 105 13.211 -3.042 4.979 1.00 0.00 N ATOM 1692 CA ASN A 105 14.517 -2.704 4.346 1.00 0.00 C ATOM 1693 C ASN A 105 14.918 -1.275 4.719 1.00 0.00 C ATOM 1694 O ASN A 105 14.358 -0.677 5.617 1.00 0.00 O ATOM 1695 CB ASN A 105 14.380 -2.821 2.829 1.00 0.00 C ATOM 1696 CG ASN A 105 15.590 -3.569 2.265 1.00 0.00 C ATOM 1697 OD1 ASN A 105 16.639 -2.991 2.068 1.00 0.00 O ATOM 1698 ND2 ASN A 105 15.486 -4.840 1.991 1.00 0.00 N ATOM 0 H ASN A 105 13.155 -3.976 5.386 1.00 0.00 H new ATOM 0 HA ASN A 105 15.285 -3.392 4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 105 13.461 -3.350 2.576 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.311 -1.829 2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.286 -5.347 1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.605 -5.327 2.156 1.00 0.00 H new ATOM 1705 N GLN A 106 15.885 -0.723 4.039 1.00 0.00 N ATOM 1706 CA GLN A 106 16.318 0.666 4.359 1.00 0.00 C ATOM 1707 C GLN A 106 17.538 1.036 3.513 1.00 0.00 C ATOM 1708 O GLN A 106 18.508 0.309 3.454 1.00 0.00 O ATOM 1709 CB GLN A 106 16.677 0.759 5.843 1.00 0.00 C ATOM 1710 CG GLN A 106 17.681 -0.341 6.195 1.00 0.00 C ATOM 1711 CD GLN A 106 18.040 -0.250 7.680 1.00 0.00 C ATOM 1712 OE1 GLN A 106 17.747 -1.148 8.443 1.00 0.00 O ATOM 1713 NE2 GLN A 106 18.666 0.805 8.123 1.00 0.00 N ATOM 0 H GLN A 106 16.393 -1.173 3.277 1.00 0.00 H new ATOM 0 HA GLN A 106 15.505 1.357 4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.102 1.738 6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.779 0.655 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.257 -1.320 5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.579 -0.237 5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 106 18.912 1.559 7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 106 18.910 0.876 9.111 1.00 0.00 H new ATOM 1722 N SER A 107 17.494 2.164 2.858 1.00 0.00 N ATOM 1723 CA SER A 107 18.648 2.588 2.016 1.00 0.00 C ATOM 1724 C SER A 107 18.849 4.101 2.156 1.00 0.00 C ATOM 1725 O SER A 107 18.235 4.739 2.985 1.00 0.00 O ATOM 1726 CB SER A 107 18.361 2.233 0.554 1.00 0.00 C ATOM 1727 OG SER A 107 17.962 3.400 -0.149 1.00 0.00 O ATOM 0 H SER A 107 16.706 2.812 2.870 1.00 0.00 H new ATOM 0 HA SER A 107 19.553 2.075 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 107 19.250 1.804 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 107 17.577 1.477 0.500 1.00 0.00 H new ATOM 0 HG SER A 107 17.780 3.172 -1.085 1.00 0.00 H new ATOM 1733 N THR A 108 19.706 4.679 1.357 1.00 0.00 N ATOM 1734 CA THR A 108 19.940 6.149 1.456 1.00 0.00 C ATOM 1735 C THR A 108 19.654 6.811 0.103 1.00 0.00 C ATOM 1736 O THR A 108 19.999 6.289 -0.938 1.00 0.00 O ATOM 1737 CB THR A 108 21.397 6.404 1.848 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.205 6.413 0.679 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.875 5.300 2.793 1.00 0.00 C ATOM 0 H THR A 108 20.253 4.199 0.642 1.00 0.00 H new ATOM 0 HA THR A 108 19.276 6.571 2.211 1.00 0.00 H new ATOM 0 HB THR A 108 21.475 7.368 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.138 6.578 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.913 5.483 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.255 5.294 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.798 4.335 2.293 1.00 0.00 H new ATOM 1747 N LEU A 109 19.034 7.963 0.110 1.00 0.00 N ATOM 1748 CA LEU A 109 18.732 8.669 -1.175 1.00 0.00 C ATOM 1749 C LEU A 109 20.005 8.737 -2.022 1.00 0.00 C ATOM 1750 O LEU A 109 19.979 8.499 -3.212 1.00 0.00 O ATOM 1751 CB LEU A 109 18.242 10.094 -0.867 1.00 0.00 C ATOM 1752 CG LEU A 109 17.607 10.742 -2.109 1.00 0.00 C ATOM 1753 CD1 LEU A 109 18.601 10.766 -3.268 1.00 0.00 C ATOM 1754 CD2 LEU A 109 16.359 9.969 -2.530 1.00 0.00 C ATOM 0 H LEU A 109 18.722 8.448 0.952 1.00 0.00 H new ATOM 0 HA LEU A 109 17.959 8.129 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.514 10.064 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.078 10.703 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 109 17.330 11.765 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 109 18.134 11.228 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 109 19.481 11.341 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.898 9.746 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 109 15.920 10.439 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.631 8.940 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.635 9.976 -1.716 1.00 0.00 H new ATOM 1766 N GLU A 110 21.120 9.061 -1.426 1.00 0.00 N ATOM 1767 CA GLU A 110 22.378 9.142 -2.218 1.00 0.00 C ATOM 1768 C GLU A 110 22.516 7.869 -3.049 1.00 0.00 C ATOM 1769 O GLU A 110 22.785 7.909 -4.234 1.00 0.00 O ATOM 1770 CB GLU A 110 23.577 9.262 -1.273 1.00 0.00 C ATOM 1771 CG GLU A 110 24.871 9.037 -2.058 1.00 0.00 C ATOM 1772 CD GLU A 110 25.481 7.692 -1.661 1.00 0.00 C ATOM 1773 OE1 GLU A 110 26.156 7.646 -0.645 1.00 0.00 O ATOM 1774 OE2 GLU A 110 25.264 6.730 -2.378 1.00 0.00 O ATOM 0 H GLU A 110 21.214 9.272 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 110 22.347 10.015 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.589 10.247 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.495 8.530 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.667 9.054 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.577 9.843 -1.855 1.00 0.00 H new ATOM 1781 N ASN A 111 22.324 6.740 -2.432 1.00 0.00 N ATOM 1782 CA ASN A 111 22.431 5.456 -3.176 1.00 0.00 C ATOM 1783 C ASN A 111 21.250 5.316 -4.134 1.00 0.00 C ATOM 1784 O ASN A 111 21.353 4.670 -5.138 1.00 0.00 O ATOM 1785 CB ASN A 111 22.444 4.277 -2.199 1.00 0.00 C ATOM 1786 CG ASN A 111 22.747 2.987 -2.965 1.00 0.00 C ATOM 1787 OD1 ASN A 111 22.114 2.693 -3.958 1.00 0.00 O ATOM 1788 ND2 ASN A 111 23.696 2.199 -2.538 1.00 0.00 N ATOM 0 H ASN A 111 22.097 6.650 -1.442 1.00 0.00 H new ATOM 0 HA ASN A 111 23.361 5.454 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 111 23.195 4.439 -1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.481 4.197 -1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 111 23.906 1.336 -3.039 1.00 0.00 H new ATOM 0 HD22 ASN A 111 24.228 2.447 -1.703 1.00 0.00 H new ATOM 1795 N PHE A 112 20.122 5.892 -3.839 1.00 0.00 N ATOM 1796 CA PHE A 112 18.973 5.751 -4.779 1.00 0.00 C ATOM 1797 C PHE A 112 19.333 6.427 -6.097 1.00 0.00 C ATOM 1798 O PHE A 112 18.982 5.964 -7.157 1.00 0.00 O ATOM 1799 CB PHE A 112 17.736 6.426 -4.180 1.00 0.00 C ATOM 1800 CG PHE A 112 16.525 6.103 -5.023 1.00 0.00 C ATOM 1801 CD1 PHE A 112 16.278 6.820 -6.202 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.654 5.082 -4.630 1.00 0.00 C ATOM 1803 CE1 PHE A 112 15.158 6.514 -6.983 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.533 4.779 -5.412 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.287 5.494 -6.588 1.00 0.00 C ATOM 0 H PHE A 112 19.944 6.447 -3.002 1.00 0.00 H new ATOM 0 HA PHE A 112 18.759 4.696 -4.948 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.582 6.083 -3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.884 7.505 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.951 7.607 -6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.846 4.527 -3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.966 7.066 -7.891 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.858 3.993 -5.107 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.423 5.258 -7.192 1.00 0.00 H new ATOM 1815 N LEU A 113 20.030 7.517 -6.042 1.00 0.00 N ATOM 1816 CA LEU A 113 20.426 8.203 -7.300 1.00 0.00 C ATOM 1817 C LEU A 113 21.500 7.363 -8.004 1.00 0.00 C ATOM 1818 O LEU A 113 21.534 7.273 -9.215 1.00 0.00 O ATOM 1819 CB LEU A 113 20.972 9.593 -6.973 1.00 0.00 C ATOM 1820 CG LEU A 113 19.904 10.399 -6.226 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.573 11.534 -5.448 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.914 10.987 -7.233 1.00 0.00 C ATOM 0 H LEU A 113 20.345 7.966 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 113 19.563 8.312 -7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.871 9.508 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.257 10.109 -7.890 1.00 0.00 H new ATOM 0 HG LEU A 113 19.374 9.746 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.814 12.108 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 113 21.280 11.116 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 113 21.102 12.188 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 113 18.154 11.561 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.444 11.640 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.438 10.179 -7.789 1.00 0.00 H new ATOM 1834 N GLU A 114 22.381 6.749 -7.252 1.00 0.00 N ATOM 1835 CA GLU A 114 23.457 5.912 -7.868 1.00 0.00 C ATOM 1836 C GLU A 114 22.847 4.631 -8.453 1.00 0.00 C ATOM 1837 O GLU A 114 23.070 4.272 -9.591 1.00 0.00 O ATOM 1838 CB GLU A 114 24.453 5.534 -6.778 1.00 0.00 C ATOM 1839 CG GLU A 114 25.873 5.879 -7.222 1.00 0.00 C ATOM 1840 CD GLU A 114 26.100 5.384 -8.652 1.00 0.00 C ATOM 1841 OE1 GLU A 114 26.189 4.181 -8.836 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.182 6.217 -9.540 1.00 0.00 O ATOM 0 H GLU A 114 22.401 6.792 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 114 23.951 6.470 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.213 6.064 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.380 4.468 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.029 6.957 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.597 5.420 -6.549 1.00 0.00 H new ATOM 1849 N ARG A 115 22.077 3.956 -7.654 1.00 0.00 N ATOM 1850 CA ARG A 115 21.411 2.693 -8.072 1.00 0.00 C ATOM 1851 C ARG A 115 20.436 2.988 -9.206 1.00 0.00 C ATOM 1852 O ARG A 115 20.445 2.355 -10.240 1.00 0.00 O ATOM 1853 CB ARG A 115 20.624 2.154 -6.871 1.00 0.00 C ATOM 1854 CG ARG A 115 20.938 0.669 -6.672 1.00 0.00 C ATOM 1855 CD ARG A 115 20.621 -0.097 -7.958 1.00 0.00 C ATOM 1856 NE ARG A 115 21.077 -1.509 -7.818 1.00 0.00 N ATOM 1857 CZ ARG A 115 22.017 -1.972 -8.596 1.00 0.00 C ATOM 1858 NH1 ARG A 115 21.921 -1.831 -9.889 1.00 0.00 N ATOM 1859 NH2 ARG A 115 23.052 -2.575 -8.078 1.00 0.00 N ATOM 0 H ARG A 115 21.874 4.236 -6.695 1.00 0.00 H new ATOM 0 HA ARG A 115 22.152 1.967 -8.408 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.884 2.714 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.555 2.291 -7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 115 21.988 0.541 -6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.351 0.270 -5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 115 19.550 -0.067 -8.157 1.00 0.00 H new ATOM 0 HD3 ARG A 115 21.117 0.374 -8.807 1.00 0.00 H new ATOM 0 HE ARG A 115 20.654 -2.114 -7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 115 21.111 -1.359 -10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 115 22.655 -2.193 -10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 115 23.125 -2.684 -7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 115 23.788 -2.937 -8.685 1.00 0.00 H new ATOM 1873 N LEU A 116 19.603 3.960 -9.001 1.00 0.00 N ATOM 1874 CA LEU A 116 18.612 4.340 -10.038 1.00 0.00 C ATOM 1875 C LEU A 116 19.357 4.651 -11.346 1.00 0.00 C ATOM 1876 O LEU A 116 18.964 4.203 -12.404 1.00 0.00 O ATOM 1877 CB LEU A 116 17.860 5.586 -9.560 1.00 0.00 C ATOM 1878 CG LEU A 116 16.730 5.904 -10.537 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.382 5.654 -9.856 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.823 7.371 -10.963 1.00 0.00 C ATOM 0 H LEU A 116 19.565 4.516 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 116 17.905 3.528 -10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.456 5.419 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.544 6.432 -9.490 1.00 0.00 H new ATOM 0 HG LEU A 116 16.817 5.264 -11.415 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.575 5.881 -10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.316 4.609 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.294 6.294 -8.978 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.017 7.599 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.735 8.011 -10.085 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.783 7.549 -11.447 1.00 0.00 H new ATOM 1892 N LYS A 117 20.433 5.415 -11.293 1.00 0.00 N ATOM 1893 CA LYS A 117 21.173 5.730 -12.551 1.00 0.00 C ATOM 1894 C LYS A 117 21.816 4.458 -13.111 1.00 0.00 C ATOM 1895 O LYS A 117 21.992 4.316 -14.304 1.00 0.00 O ATOM 1896 CB LYS A 117 22.261 6.762 -12.255 1.00 0.00 C ATOM 1897 CG LYS A 117 23.028 7.078 -13.541 1.00 0.00 C ATOM 1898 CD LYS A 117 23.490 8.535 -13.514 1.00 0.00 C ATOM 1899 CE LYS A 117 23.735 9.022 -14.943 1.00 0.00 C ATOM 1900 NZ LYS A 117 23.334 10.453 -15.053 1.00 0.00 N ATOM 0 H LYS A 117 20.820 5.825 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 117 20.476 6.132 -13.286 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.815 7.671 -11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.944 6.379 -11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.888 6.415 -13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.392 6.903 -14.409 1.00 0.00 H new ATOM 0 HD2 LYS A 117 22.736 9.157 -13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.403 8.627 -12.926 1.00 0.00 H new ATOM 0 HE2 LYS A 117 24.787 8.907 -15.203 1.00 0.00 H new ATOM 0 HE3 LYS A 117 23.164 8.418 -15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 22.796 10.596 -15.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 22.741 10.711 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 24.184 11.052 -15.066 1.00 0.00 H new ATOM 1914 N THR A 118 22.174 3.532 -12.263 1.00 0.00 N ATOM 1915 CA THR A 118 22.809 2.278 -12.753 1.00 0.00 C ATOM 1916 C THR A 118 21.908 1.619 -13.800 1.00 0.00 C ATOM 1917 O THR A 118 22.373 1.120 -14.806 1.00 0.00 O ATOM 1918 CB THR A 118 23.012 1.317 -11.580 1.00 0.00 C ATOM 1919 OG1 THR A 118 23.542 2.032 -10.471 1.00 0.00 O ATOM 1920 CG2 THR A 118 23.987 0.213 -11.990 1.00 0.00 C ATOM 0 H THR A 118 22.054 3.591 -11.252 1.00 0.00 H new ATOM 0 HA THR A 118 23.773 2.514 -13.203 1.00 0.00 H new ATOM 0 HB THR A 118 22.057 0.872 -11.302 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.596 2.985 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.133 -0.472 -11.155 1.00 0.00 H new ATOM 0 HG22 THR A 118 23.581 -0.333 -12.841 1.00 0.00 H new ATOM 0 HG23 THR A 118 24.944 0.657 -12.266 1.00 0.00 H new ATOM 1928 N ILE A 119 20.623 1.606 -13.570 1.00 0.00 N ATOM 1929 CA ILE A 119 19.700 0.972 -14.550 1.00 0.00 C ATOM 1930 C ILE A 119 19.627 1.811 -15.828 1.00 0.00 C ATOM 1931 O ILE A 119 19.704 1.290 -16.920 1.00 0.00 O ATOM 1932 CB ILE A 119 18.318 0.853 -13.942 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.401 0.068 -12.632 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.389 0.126 -14.916 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.434 1.044 -11.453 1.00 0.00 C ATOM 0 H ILE A 119 20.174 2.007 -12.746 1.00 0.00 H new ATOM 0 HA ILE A 119 20.077 -0.020 -14.799 1.00 0.00 H new ATOM 0 HB ILE A 119 17.924 1.850 -13.743 1.00 0.00 H new ATOM 0 HG12 ILE A 119 17.544 -0.600 -12.541 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.294 -0.557 -12.626 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.395 0.041 -14.476 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.327 0.688 -15.848 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.782 -0.870 -15.119 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.493 0.485 -10.519 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.305 1.694 -11.543 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.528 1.650 -11.456 1.00 0.00 H new ATOM 1947 N MET A 120 19.465 3.100 -15.706 1.00 0.00 N ATOM 1948 CA MET A 120 19.378 3.961 -16.922 1.00 0.00 C ATOM 1949 C MET A 120 20.597 3.739 -17.808 1.00 0.00 C ATOM 1950 O MET A 120 20.498 3.744 -19.011 1.00 0.00 O ATOM 1951 CB MET A 120 19.315 5.429 -16.501 1.00 0.00 C ATOM 1952 CG MET A 120 17.943 5.730 -15.895 1.00 0.00 C ATOM 1953 SD MET A 120 18.117 6.136 -14.143 1.00 0.00 S ATOM 1954 CE MET A 120 16.412 5.765 -13.664 1.00 0.00 C ATOM 0 H MET A 120 19.389 3.595 -14.818 1.00 0.00 H new ATOM 0 HA MET A 120 18.480 3.700 -17.481 1.00 0.00 H new ATOM 0 HB2 MET A 120 20.099 5.644 -15.775 1.00 0.00 H new ATOM 0 HB3 MET A 120 19.493 6.073 -17.362 1.00 0.00 H new ATOM 0 HG2 MET A 120 17.477 6.561 -16.425 1.00 0.00 H new ATOM 0 HG3 MET A 120 17.287 4.868 -16.014 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.974 6.635 -13.174 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.830 5.518 -14.552 1.00 0.00 H new ATOM 0 HE3 MET A 120 16.403 4.919 -12.977 1.00 0.00 H new ATOM 1964 N ARG A 121 21.743 3.534 -17.237 1.00 0.00 N ATOM 1965 CA ARG A 121 22.941 3.294 -18.085 1.00 0.00 C ATOM 1966 C ARG A 121 22.714 2.005 -18.870 1.00 0.00 C ATOM 1967 O ARG A 121 23.136 1.859 -19.998 1.00 0.00 O ATOM 1968 CB ARG A 121 24.165 3.125 -17.188 1.00 0.00 C ATOM 1969 CG ARG A 121 25.164 4.250 -17.464 1.00 0.00 C ATOM 1970 CD ARG A 121 24.915 5.403 -16.489 1.00 0.00 C ATOM 1971 NE ARG A 121 25.827 6.535 -16.816 1.00 0.00 N ATOM 1972 CZ ARG A 121 26.742 6.903 -15.963 1.00 0.00 C ATOM 1973 NH1 ARG A 121 27.450 6.005 -15.335 1.00 0.00 N ATOM 1974 NH2 ARG A 121 26.952 8.173 -15.738 1.00 0.00 N ATOM 0 H ARG A 121 21.905 3.521 -16.230 1.00 0.00 H new ATOM 0 HA ARG A 121 23.102 4.132 -18.764 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.865 3.140 -16.140 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.632 2.157 -17.372 1.00 0.00 H new ATOM 0 HG2 ARG A 121 26.184 3.881 -17.354 1.00 0.00 H new ATOM 0 HG3 ARG A 121 25.060 4.599 -18.491 1.00 0.00 H new ATOM 0 HD2 ARG A 121 23.877 5.729 -16.552 1.00 0.00 H new ATOM 0 HD3 ARG A 121 25.084 5.070 -15.465 1.00 0.00 H new ATOM 0 HE ARG A 121 25.736 7.022 -17.707 1.00 0.00 H new ATOM 0 HH11 ARG A 121 27.288 5.013 -15.511 1.00 0.00 H new ATOM 0 HH12 ARG A 121 28.165 6.295 -14.668 1.00 0.00 H new ATOM 0 HH21 ARG A 121 26.400 8.876 -16.230 1.00 0.00 H new ATOM 0 HH22 ARG A 121 27.668 8.461 -15.071 1.00 0.00 H new ATOM 1988 N GLU A 122 22.053 1.070 -18.255 1.00 0.00 N ATOM 1989 CA GLU A 122 21.775 -0.239 -18.916 1.00 0.00 C ATOM 1990 C GLU A 122 20.773 -0.069 -20.066 1.00 0.00 C ATOM 1991 O GLU A 122 21.002 -0.534 -21.166 1.00 0.00 O ATOM 1992 CB GLU A 122 21.162 -1.196 -17.884 1.00 0.00 C ATOM 1993 CG GLU A 122 22.187 -1.589 -16.804 1.00 0.00 C ATOM 1994 CD GLU A 122 21.439 -2.050 -15.551 1.00 0.00 C ATOM 1995 OE1 GLU A 122 20.470 -2.777 -15.696 1.00 0.00 O ATOM 1996 OE2 GLU A 122 21.850 -1.670 -14.467 1.00 0.00 O ATOM 0 H GLU A 122 21.686 1.155 -17.307 1.00 0.00 H new ATOM 0 HA GLU A 122 22.711 -0.633 -19.311 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.300 -0.723 -17.414 1.00 0.00 H new ATOM 0 HB3 GLU A 122 20.799 -2.092 -18.387 1.00 0.00 H new ATOM 0 HG2 GLU A 122 22.834 -2.386 -17.171 1.00 0.00 H new ATOM 0 HG3 GLU A 122 22.829 -0.741 -16.568 1.00 0.00 H new ATOM 2003 N LYS A 123 19.661 0.572 -19.828 1.00 0.00 N ATOM 2004 CA LYS A 123 18.656 0.734 -20.920 1.00 0.00 C ATOM 2005 C LYS A 123 19.233 1.627 -22.018 1.00 0.00 C ATOM 2006 O LYS A 123 19.030 1.403 -23.194 1.00 0.00 O ATOM 2007 CB LYS A 123 17.387 1.376 -20.356 1.00 0.00 C ATOM 2008 CG LYS A 123 16.300 0.307 -20.206 1.00 0.00 C ATOM 2009 CD LYS A 123 14.964 0.862 -20.702 1.00 0.00 C ATOM 2010 CE LYS A 123 14.608 0.215 -22.042 1.00 0.00 C ATOM 2011 NZ LYS A 123 13.133 0.284 -22.249 1.00 0.00 N ATOM 0 H LYS A 123 19.405 0.988 -18.932 1.00 0.00 H new ATOM 0 HA LYS A 123 18.414 -0.244 -21.337 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.597 1.835 -19.390 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.043 2.170 -21.018 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.570 -0.583 -20.775 1.00 0.00 H new ATOM 0 HG3 LYS A 123 16.215 0.004 -19.162 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.181 0.662 -19.970 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.027 1.944 -20.814 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.125 0.727 -22.854 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.940 -0.823 -22.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 12.889 -0.155 -23.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 12.650 -0.223 -21.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 12.829 1.279 -22.252 1.00 0.00 H new ATOM 2025 N TYR A 124 19.951 2.635 -21.630 1.00 0.00 N ATOM 2026 CA TYR A 124 20.556 3.565 -22.621 1.00 0.00 C ATOM 2027 C TYR A 124 21.688 2.855 -23.368 1.00 0.00 C ATOM 2028 O TYR A 124 21.971 3.152 -24.512 1.00 0.00 O ATOM 2029 CB TYR A 124 21.107 4.790 -21.884 1.00 0.00 C ATOM 2030 CG TYR A 124 21.428 5.874 -22.882 1.00 0.00 C ATOM 2031 CD1 TYR A 124 20.497 6.212 -23.871 1.00 0.00 C ATOM 2032 CD2 TYR A 124 22.655 6.542 -22.817 1.00 0.00 C ATOM 2033 CE1 TYR A 124 20.794 7.220 -24.796 1.00 0.00 C ATOM 2034 CE2 TYR A 124 22.954 7.549 -23.742 1.00 0.00 C ATOM 2035 CZ TYR A 124 22.023 7.889 -24.732 1.00 0.00 C ATOM 2036 OH TYR A 124 22.316 8.881 -25.644 1.00 0.00 O ATOM 0 H TYR A 124 20.149 2.860 -20.655 1.00 0.00 H new ATOM 0 HA TYR A 124 19.800 3.881 -23.340 1.00 0.00 H new ATOM 0 HB2 TYR A 124 20.376 5.152 -21.160 1.00 0.00 H new ATOM 0 HB3 TYR A 124 22.002 4.519 -21.325 1.00 0.00 H new ATOM 0 HD1 TYR A 124 19.550 5.695 -23.921 1.00 0.00 H new ATOM 0 HD2 TYR A 124 23.372 6.281 -22.053 1.00 0.00 H new ATOM 0 HE1 TYR A 124 20.076 7.482 -25.559 1.00 0.00 H new ATOM 0 HE2 TYR A 124 23.902 8.064 -23.693 1.00 0.00 H new ATOM 0 HH TYR A 124 23.208 9.243 -25.458 1.00 0.00 H new ATOM 2046 N SER A 125 22.343 1.924 -22.727 1.00 0.00 N ATOM 2047 CA SER A 125 23.461 1.201 -23.398 1.00 0.00 C ATOM 2048 C SER A 125 22.918 -0.025 -24.140 1.00 0.00 C ATOM 2049 O SER A 125 23.658 -0.919 -24.500 1.00 0.00 O ATOM 2050 CB SER A 125 24.478 0.750 -22.348 1.00 0.00 C ATOM 2051 OG SER A 125 25.566 0.102 -22.991 1.00 0.00 O ATOM 0 H SER A 125 22.152 1.633 -21.768 1.00 0.00 H new ATOM 0 HA SER A 125 23.942 1.869 -24.112 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.836 1.609 -21.781 1.00 0.00 H new ATOM 0 HB3 SER A 125 24.006 0.072 -21.637 1.00 0.00 H new ATOM 0 HG SER A 125 25.223 -0.519 -23.667 1.00 0.00 H new ATOM 2057 N LYS A 126 21.635 -0.076 -24.376 1.00 0.00 N ATOM 2058 CA LYS A 126 21.059 -1.246 -25.098 1.00 0.00 C ATOM 2059 C LYS A 126 20.876 -0.883 -26.572 1.00 0.00 C ATOM 2060 O LYS A 126 20.014 -1.407 -27.249 1.00 0.00 O ATOM 2061 CB LYS A 126 19.704 -1.607 -24.487 1.00 0.00 C ATOM 2062 CG LYS A 126 19.194 -2.907 -25.113 1.00 0.00 C ATOM 2063 CD LYS A 126 18.123 -3.523 -24.212 1.00 0.00 C ATOM 2064 CE LYS A 126 16.735 -3.152 -24.742 1.00 0.00 C ATOM 2065 NZ LYS A 126 15.846 -2.796 -23.600 1.00 0.00 N ATOM 0 H LYS A 126 20.963 0.640 -24.101 1.00 0.00 H new ATOM 0 HA LYS A 126 21.731 -2.100 -25.011 1.00 0.00 H new ATOM 0 HB2 LYS A 126 19.799 -1.723 -23.407 1.00 0.00 H new ATOM 0 HB3 LYS A 126 18.989 -0.803 -24.659 1.00 0.00 H new ATOM 0 HG2 LYS A 126 18.782 -2.709 -26.102 1.00 0.00 H new ATOM 0 HG3 LYS A 126 20.019 -3.607 -25.246 1.00 0.00 H new ATOM 0 HD2 LYS A 126 18.236 -4.607 -24.184 1.00 0.00 H new ATOM 0 HD3 LYS A 126 18.242 -3.164 -23.190 1.00 0.00 H new ATOM 0 HE2 LYS A 126 16.810 -2.313 -25.433 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.312 -3.987 -25.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 15.009 -2.292 -23.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 15.546 -3.663 -23.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 16.362 -2.184 -22.936 1.00 0.00 H new