USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 922 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 35 ASN :FLIP amide:sc= -2.61! C(o=-3.4!,f=-1.8!) USER MOD Set 1.2: A 38 GLN : amide:sc= 0.788 K(o=-1.8,f=-4.8) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.0155 K(o=0.032,f=-1.6) USER MOD Set 2.2: A 30 THR OG1 : rot 170:sc= 0.0167 USER MOD Single : A 5 LYS NZ :NH3+ -141:sc= -0.153 (180deg=-1.46!) USER MOD Single : A 12 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.27) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.048) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 134:sc= 1.14 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.804 K(o=-0.8,f=-2.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -125:sc= -15! (180deg=-19.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 150:sc= -4.48! (180deg=-8.76!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 179:sc= -0.548 (180deg=-0.565) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.985 K(o=-0.99,f=-7.3!) USER MOD Single : A 81 MET CE :methyl 177:sc= -14.1! (180deg=-14.5!) USER MOD Single : A 82 THR OG1 : rot 70:sc= -1.31 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 149:sc= -2.05 (180deg=-3.3!) USER MOD Single : A 91 GLN : amide:sc= -0.267 K(o=-0.27,f=-3.1!) USER MOD Single : A 93 SER OG : rot -68:sc= 0.368 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -127:sc= -0.076 USER MOD Single : A 101 HIS : no HD1:sc= -7.75! C(o=-7.8!,f=-7.6!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -4.559 -9.365 11.069 1.00 0.00 N ATOM 50 CA GLU A 4 -4.432 -8.404 9.987 1.00 0.00 C ATOM 51 C GLU A 4 -3.191 -7.533 10.193 1.00 0.00 C ATOM 52 O GLU A 4 -2.772 -7.301 11.327 1.00 0.00 O ATOM 53 CB GLU A 4 -5.691 -7.543 9.867 1.00 0.00 C ATOM 54 CG GLU A 4 -6.327 -7.692 8.483 1.00 0.00 C ATOM 55 CD GLU A 4 -7.847 -7.836 8.590 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.286 -8.536 9.528 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.535 -7.242 7.733 1.00 0.00 O ATOM 0 HA GLU A 4 -4.316 -8.953 9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.409 -7.833 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.439 -6.497 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.083 -6.824 7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.910 -8.564 7.979 1.00 0.00 H new ATOM 64 N LYS A 5 -2.637 -7.074 9.081 1.00 0.00 N ATOM 65 CA LYS A 5 -1.452 -6.234 9.126 1.00 0.00 C ATOM 66 C LYS A 5 -1.451 -5.297 7.917 1.00 0.00 C ATOM 67 O LYS A 5 -2.115 -5.566 6.917 1.00 0.00 O ATOM 68 CB LYS A 5 -0.191 -7.093 9.239 1.00 0.00 C ATOM 69 CG LYS A 5 0.002 -7.598 10.671 1.00 0.00 C ATOM 70 CD LYS A 5 -0.417 -9.064 10.796 1.00 0.00 C ATOM 71 CE LYS A 5 0.806 -9.977 10.894 1.00 0.00 C ATOM 72 NZ LYS A 5 0.674 -10.900 12.043 1.00 0.00 N ATOM 0 H LYS A 5 -2.987 -7.268 8.143 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.463 -5.606 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.262 -7.940 8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.679 -6.511 8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.047 -7.489 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.585 -6.988 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.043 -9.193 11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.020 -9.349 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.915 -10.548 9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.708 -9.375 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.598 -11.011 12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.010 -10.512 12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.341 -11.826 11.708 1.00 0.00 H new ATOM 86 N ILE A 6 -0.698 -4.215 8.048 1.00 0.00 N ATOM 87 CA ILE A 6 -0.601 -3.236 6.979 1.00 0.00 C ATOM 88 C ILE A 6 0.658 -2.390 7.179 1.00 0.00 C ATOM 89 O ILE A 6 0.949 -1.959 8.294 1.00 0.00 O ATOM 90 CB ILE A 6 -1.887 -2.412 6.889 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.730 -2.840 5.686 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.579 -0.913 6.868 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.218 -2.588 5.941 1.00 0.00 C ATOM 0 H ILE A 6 -0.149 -3.995 8.879 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.500 -3.734 6.015 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.479 -2.606 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.411 -2.291 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.567 -3.898 5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.511 -0.351 6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.051 -0.637 7.781 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.955 -0.682 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.794 -2.901 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.539 -3.158 6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.381 -1.526 6.121 1.00 0.00 H new ATOM 105 N LEU A 7 1.371 -2.179 6.083 1.00 0.00 N ATOM 106 CA LEU A 7 2.592 -1.392 6.124 1.00 0.00 C ATOM 107 C LEU A 7 2.399 -0.115 5.305 1.00 0.00 C ATOM 108 O LEU A 7 1.736 -0.131 4.269 1.00 0.00 O ATOM 109 CB LEU A 7 3.787 -2.235 5.675 1.00 0.00 C ATOM 110 CG LEU A 7 5.026 -2.175 6.572 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.946 -3.219 7.688 1.00 0.00 C ATOM 112 CD2 LEU A 7 6.307 -2.312 5.748 1.00 0.00 C ATOM 0 H LEU A 7 1.127 -2.539 5.161 1.00 0.00 H new ATOM 0 HA LEU A 7 2.813 -1.085 7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.466 -3.274 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.073 -1.918 4.672 1.00 0.00 H new ATOM 0 HG LEU A 7 5.055 -1.196 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.838 -3.155 8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.063 -3.032 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.880 -4.215 7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.172 -2.266 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.302 -3.267 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.362 -1.500 5.023 1.00 0.00 H new ATOM 124 N ILE A 8 2.990 0.963 5.801 1.00 0.00 N ATOM 125 CA ILE A 8 2.891 2.247 5.128 1.00 0.00 C ATOM 126 C ILE A 8 4.283 2.685 4.667 1.00 0.00 C ATOM 127 O ILE A 8 5.267 2.489 5.379 1.00 0.00 O ATOM 128 CB ILE A 8 2.190 3.269 6.025 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.805 2.773 6.443 1.00 0.00 C ATOM 130 CG2 ILE A 8 2.128 4.640 5.348 1.00 0.00 C ATOM 131 CD1 ILE A 8 0.433 3.291 7.834 1.00 0.00 C ATOM 0 H ILE A 8 3.539 0.973 6.661 1.00 0.00 H new ATOM 0 HA ILE A 8 2.271 2.163 4.235 1.00 0.00 H new ATOM 0 HB ILE A 8 2.778 3.385 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.062 3.104 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.789 1.683 6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.625 5.348 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.139 4.991 5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.575 4.559 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.556 2.923 8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.164 2.938 8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.426 4.381 7.826 1.00 0.00 H new ATOM 143 N VAL A 9 4.321 3.269 3.479 1.00 0.00 N ATOM 144 CA VAL A 9 5.576 3.736 2.915 1.00 0.00 C ATOM 145 C VAL A 9 5.332 5.035 2.143 1.00 0.00 C ATOM 146 O VAL A 9 4.457 5.093 1.281 1.00 0.00 O ATOM 147 CB VAL A 9 6.204 2.639 2.053 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.672 2.949 1.753 1.00 0.00 C ATOM 149 CG2 VAL A 9 6.058 1.269 2.719 1.00 0.00 C ATOM 0 H VAL A 9 3.503 3.430 2.891 1.00 0.00 H new ATOM 0 HA VAL A 9 6.291 3.957 3.708 1.00 0.00 H new ATOM 0 HB VAL A 9 5.668 2.610 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.094 2.153 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.742 3.896 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.228 3.019 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.512 0.507 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.557 1.281 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.001 1.043 2.858 1.00 0.00 H new ATOM 159 N ASP A 10 6.120 6.044 2.482 1.00 0.00 N ATOM 160 CA ASP A 10 6.000 7.338 1.832 1.00 0.00 C ATOM 161 C ASP A 10 4.530 7.762 1.817 1.00 0.00 C ATOM 162 O ASP A 10 3.674 7.067 2.361 1.00 0.00 O ATOM 163 CB ASP A 10 6.489 7.275 0.384 1.00 0.00 C ATOM 164 CG ASP A 10 7.752 8.088 0.091 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.822 7.673 0.585 1.00 0.00 O ATOM 166 OD2 ASP A 10 7.618 9.107 -0.621 1.00 0.00 O ATOM 0 H ASP A 10 6.844 5.992 3.198 1.00 0.00 H new ATOM 0 HA ASP A 10 6.609 8.052 2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.678 6.233 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.690 7.626 -0.269 1.00 0.00 H new ATOM 171 N ASP A 11 4.283 8.901 1.187 1.00 0.00 N ATOM 172 CA ASP A 11 2.931 9.426 1.093 1.00 0.00 C ATOM 173 C ASP A 11 2.437 9.802 2.491 1.00 0.00 C ATOM 174 O ASP A 11 1.263 10.121 2.674 1.00 0.00 O ATOM 175 CB ASP A 11 1.973 8.381 0.519 1.00 0.00 C ATOM 176 CG ASP A 11 0.629 8.931 0.036 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.254 9.112 0.901 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.516 9.158 -1.189 1.00 0.00 O ATOM 0 H ASP A 11 4.996 9.475 0.737 1.00 0.00 H new ATOM 0 HA ASP A 11 2.952 10.296 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.464 7.879 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.786 7.624 1.281 1.00 0.00 H new ATOM 183 N GLN A 12 3.358 9.753 3.443 1.00 0.00 N ATOM 184 CA GLN A 12 3.030 10.085 4.819 1.00 0.00 C ATOM 185 C GLN A 12 2.888 11.600 4.980 1.00 0.00 C ATOM 186 O GLN A 12 3.868 12.334 4.867 1.00 0.00 O ATOM 187 CB GLN A 12 4.080 9.527 5.782 1.00 0.00 C ATOM 188 CG GLN A 12 5.494 9.758 5.246 1.00 0.00 C ATOM 189 CD GLN A 12 6.500 9.889 6.392 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.466 9.150 6.491 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.220 10.867 7.248 1.00 0.00 N ATOM 0 H GLN A 12 4.331 9.488 3.288 1.00 0.00 H new ATOM 0 HA GLN A 12 2.075 9.622 5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.974 10.004 6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.913 8.460 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.781 8.930 4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.513 10.661 4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.394 11.449 7.105 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.831 11.036 8.047 1.00 0.00 H new ATOM 200 N TYR A 13 1.660 12.022 5.243 1.00 0.00 N ATOM 201 CA TYR A 13 1.377 13.436 5.421 1.00 0.00 C ATOM 202 C TYR A 13 0.128 13.641 6.280 1.00 0.00 C ATOM 203 O TYR A 13 -0.572 14.643 6.135 1.00 0.00 O ATOM 204 CB TYR A 13 1.116 13.994 4.020 1.00 0.00 C ATOM 205 CG TYR A 13 1.941 15.237 3.681 1.00 0.00 C ATOM 206 CD1 TYR A 13 1.627 16.451 4.256 1.00 0.00 C ATOM 207 CD2 TYR A 13 3.000 15.143 2.801 1.00 0.00 C ATOM 208 CE1 TYR A 13 2.404 17.621 3.937 1.00 0.00 C ATOM 209 CE2 TYR A 13 3.777 16.313 2.482 1.00 0.00 C ATOM 210 CZ TYR A 13 3.440 17.494 3.066 1.00 0.00 C ATOM 211 OH TYR A 13 4.174 18.599 2.765 1.00 0.00 O ATOM 0 H TYR A 13 0.850 11.410 5.337 1.00 0.00 H new ATOM 0 HA TYR A 13 2.208 13.934 5.921 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.329 13.218 3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.057 14.237 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.799 16.524 4.945 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.246 14.192 2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.169 18.578 4.380 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.608 16.254 1.795 1.00 0.00 H new ATOM 0 HH TYR A 13 4.882 18.359 2.131 1.00 0.00 H new ATOM 221 N GLY A 14 -0.115 12.677 7.155 1.00 0.00 N ATOM 222 CA GLY A 14 -1.268 12.739 8.037 1.00 0.00 C ATOM 223 C GLY A 14 -2.362 11.774 7.577 1.00 0.00 C ATOM 224 O GLY A 14 -3.370 11.601 8.262 1.00 0.00 O ATOM 0 H GLY A 14 0.467 11.848 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.965 12.493 9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.660 13.756 8.058 1.00 0.00 H new ATOM 228 N ILE A 15 -2.128 11.171 6.421 1.00 0.00 N ATOM 229 CA ILE A 15 -3.082 10.228 5.862 1.00 0.00 C ATOM 230 C ILE A 15 -2.746 8.818 6.353 1.00 0.00 C ATOM 231 O ILE A 15 -3.643 8.027 6.639 1.00 0.00 O ATOM 232 CB ILE A 15 -3.128 10.353 4.338 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.682 11.716 3.916 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.916 9.198 3.717 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.680 12.466 3.037 1.00 0.00 C ATOM 0 H ILE A 15 -1.292 11.317 5.856 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.090 10.455 6.208 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.108 10.288 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.617 11.580 3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.911 12.310 4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.933 9.311 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.440 8.252 3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.937 9.207 4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.098 13.431 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.755 12.621 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.472 11.881 2.141 1.00 0.00 H new ATOM 247 N ARG A 16 -1.452 8.548 6.437 1.00 0.00 N ATOM 248 CA ARG A 16 -0.986 7.247 6.888 1.00 0.00 C ATOM 249 C ARG A 16 -1.626 6.892 8.232 1.00 0.00 C ATOM 250 O ARG A 16 -1.978 5.738 8.470 1.00 0.00 O ATOM 251 CB ARG A 16 0.536 7.228 7.035 1.00 0.00 C ATOM 252 CG ARG A 16 1.032 8.473 7.774 1.00 0.00 C ATOM 253 CD ARG A 16 2.468 8.282 8.267 1.00 0.00 C ATOM 254 NE ARG A 16 2.464 7.690 9.623 1.00 0.00 N ATOM 255 CZ ARG A 16 3.540 7.627 10.419 1.00 0.00 C ATOM 256 NH1 ARG A 16 4.714 8.119 9.998 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.443 7.072 11.634 1.00 0.00 N ATOM 0 H ARG A 16 -0.711 9.208 6.200 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.276 6.512 6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.841 6.333 7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.999 7.177 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.983 9.337 7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.378 8.683 8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.014 7.635 7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.987 9.241 8.281 1.00 0.00 H new ATOM 0 HE ARG A 16 1.587 7.306 9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.788 8.541 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.533 8.071 10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.550 6.697 11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.262 7.024 12.240 1.00 0.00 H new ATOM 271 N ILE A 17 -1.758 7.906 9.075 1.00 0.00 N ATOM 272 CA ILE A 17 -2.350 7.715 10.388 1.00 0.00 C ATOM 273 C ILE A 17 -3.841 7.410 10.232 1.00 0.00 C ATOM 274 O ILE A 17 -4.361 6.496 10.870 1.00 0.00 O ATOM 275 CB ILE A 17 -2.059 8.919 11.287 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.552 9.137 11.441 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.759 8.775 12.640 1.00 0.00 C ATOM 278 CD1 ILE A 17 -0.229 10.621 11.625 1.00 0.00 C ATOM 0 H ILE A 17 -1.465 8.862 8.874 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.900 6.857 10.887 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.466 9.810 10.808 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.185 8.572 12.298 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.034 8.755 10.562 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.536 9.644 13.259 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.836 8.706 12.487 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.405 7.873 13.139 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.848 10.748 11.732 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.576 11.179 10.755 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.729 10.994 12.519 1.00 0.00 H new ATOM 290 N LEU A 18 -4.486 8.192 9.379 1.00 0.00 N ATOM 291 CA LEU A 18 -5.907 8.017 9.131 1.00 0.00 C ATOM 292 C LEU A 18 -6.217 6.525 9.001 1.00 0.00 C ATOM 293 O LEU A 18 -7.035 5.990 9.748 1.00 0.00 O ATOM 294 CB LEU A 18 -6.345 8.844 7.921 1.00 0.00 C ATOM 295 CG LEU A 18 -7.822 9.242 7.879 1.00 0.00 C ATOM 296 CD1 LEU A 18 -8.029 10.642 8.461 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.383 9.121 6.461 1.00 0.00 C ATOM 0 H LEU A 18 -4.051 8.948 8.851 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.490 8.392 9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.743 9.752 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.116 8.279 7.018 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.381 8.547 8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.087 10.901 8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.692 10.659 9.497 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.456 11.365 7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.434 9.410 6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.826 9.777 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.290 8.090 6.119 1.00 0.00 H new ATOM 309 N LEU A 19 -5.548 5.895 8.047 1.00 0.00 N ATOM 310 CA LEU A 19 -5.742 4.474 7.810 1.00 0.00 C ATOM 311 C LEU A 19 -5.129 3.680 8.965 1.00 0.00 C ATOM 312 O LEU A 19 -5.522 2.542 9.218 1.00 0.00 O ATOM 313 CB LEU A 19 -5.198 4.081 6.435 1.00 0.00 C ATOM 314 CG LEU A 19 -3.733 4.433 6.169 1.00 0.00 C ATOM 315 CD1 LEU A 19 -2.825 3.227 6.418 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.553 5.004 4.761 1.00 0.00 C ATOM 0 H LEU A 19 -4.871 6.342 7.429 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.805 4.233 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.321 3.005 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.811 4.562 5.673 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.436 5.211 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.789 3.505 6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.924 2.905 7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.114 2.411 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.503 5.246 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.874 4.266 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.154 5.907 4.655 1.00 0.00 H new ATOM 328 N ASN A 20 -4.175 4.311 9.634 1.00 0.00 N ATOM 329 CA ASN A 20 -3.503 3.678 10.755 1.00 0.00 C ATOM 330 C ASN A 20 -4.505 3.469 11.893 1.00 0.00 C ATOM 331 O ASN A 20 -4.756 2.338 12.304 1.00 0.00 O ATOM 332 CB ASN A 20 -2.365 4.554 11.282 1.00 0.00 C ATOM 333 CG ASN A 20 -1.462 3.766 12.234 1.00 0.00 C ATOM 334 OD1 ASN A 20 -1.602 2.568 12.414 1.00 0.00 O ATOM 335 ND2 ASN A 20 -0.530 4.505 12.831 1.00 0.00 N ATOM 0 H ASN A 20 -3.852 5.255 9.421 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.096 2.727 10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.776 4.933 10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.778 5.420 11.800 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.123 4.072 13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.468 5.504 12.635 1.00 0.00 H new ATOM 342 N GLU A 21 -5.050 4.579 12.369 1.00 0.00 N ATOM 343 CA GLU A 21 -6.018 4.533 13.451 1.00 0.00 C ATOM 344 C GLU A 21 -7.150 3.562 13.109 1.00 0.00 C ATOM 345 O GLU A 21 -7.784 3.002 14.002 1.00 0.00 O ATOM 346 CB GLU A 21 -6.566 5.928 13.757 1.00 0.00 C ATOM 347 CG GLU A 21 -7.480 5.902 14.984 1.00 0.00 C ATOM 348 CD GLU A 21 -7.558 7.282 15.640 1.00 0.00 C ATOM 349 OE1 GLU A 21 -8.451 8.055 15.231 1.00 0.00 O ATOM 350 OE2 GLU A 21 -6.722 7.533 16.535 1.00 0.00 O ATOM 0 H GLU A 21 -4.839 5.516 12.025 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.514 4.172 14.348 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.739 6.617 13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.119 6.302 12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.479 5.578 14.691 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.107 5.174 15.704 1.00 0.00 H new ATOM 357 N VAL A 22 -7.370 3.393 11.813 1.00 0.00 N ATOM 358 CA VAL A 22 -8.415 2.500 11.342 1.00 0.00 C ATOM 359 C VAL A 22 -7.995 1.051 11.598 1.00 0.00 C ATOM 360 O VAL A 22 -8.673 0.323 12.321 1.00 0.00 O ATOM 361 CB VAL A 22 -8.720 2.783 9.870 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.635 1.706 9.283 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.329 4.175 9.694 1.00 0.00 C ATOM 0 H VAL A 22 -6.842 3.859 11.075 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.341 2.672 11.891 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.778 2.758 9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.836 1.931 8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.148 0.734 9.358 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.574 1.685 9.836 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.536 4.351 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.257 4.241 10.262 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.628 4.927 10.056 1.00 0.00 H new ATOM 373 N PHE A 23 -6.878 0.676 10.991 1.00 0.00 N ATOM 374 CA PHE A 23 -6.360 -0.673 11.143 1.00 0.00 C ATOM 375 C PHE A 23 -5.922 -0.932 12.587 1.00 0.00 C ATOM 376 O PHE A 23 -6.189 -1.998 13.138 1.00 0.00 O ATOM 377 CB PHE A 23 -5.142 -0.790 10.225 1.00 0.00 C ATOM 378 CG PHE A 23 -5.417 -0.394 8.773 1.00 0.00 C ATOM 379 CD1 PHE A 23 -6.657 -0.570 8.243 1.00 0.00 C ATOM 380 CD2 PHE A 23 -4.421 0.134 8.012 1.00 0.00 C ATOM 381 CE1 PHE A 23 -6.912 -0.203 6.896 1.00 0.00 C ATOM 382 CE2 PHE A 23 -4.676 0.501 6.664 1.00 0.00 C ATOM 383 CZ PHE A 23 -5.917 0.326 6.135 1.00 0.00 C ATOM 0 H PHE A 23 -6.317 1.283 10.393 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.132 -1.399 10.889 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.343 -0.161 10.617 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.780 -1.818 10.248 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.448 -0.989 8.847 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.436 0.274 8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.897 -0.344 6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.885 0.919 6.059 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.112 0.607 5.111 1.00 0.00 H new ATOM 393 N ASN A 24 -5.258 0.063 13.157 1.00 0.00 N ATOM 394 CA ASN A 24 -4.781 -0.044 14.525 1.00 0.00 C ATOM 395 C ASN A 24 -5.970 -0.283 15.458 1.00 0.00 C ATOM 396 O ASN A 24 -5.861 -1.029 16.430 1.00 0.00 O ATOM 397 CB ASN A 24 -4.084 1.244 14.968 1.00 0.00 C ATOM 398 CG ASN A 24 -2.970 0.947 15.974 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.002 0.264 15.684 1.00 0.00 O ATOM 400 ND2 ASN A 24 -3.162 1.496 17.170 1.00 0.00 N ATOM 0 H ASN A 24 -5.039 0.946 12.697 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.073 -0.871 14.571 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.668 1.754 14.099 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.812 1.920 15.416 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.476 1.356 17.912 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.995 2.057 17.346 1.00 0.00 H new ATOM 407 N LYS A 25 -7.078 0.366 15.130 1.00 0.00 N ATOM 408 CA LYS A 25 -8.286 0.234 15.927 1.00 0.00 C ATOM 409 C LYS A 25 -8.625 -1.249 16.089 1.00 0.00 C ATOM 410 O LYS A 25 -9.346 -1.628 17.011 1.00 0.00 O ATOM 411 CB LYS A 25 -9.421 1.061 15.320 1.00 0.00 C ATOM 412 CG LYS A 25 -9.624 2.365 16.093 1.00 0.00 C ATOM 413 CD LYS A 25 -10.792 3.168 15.518 1.00 0.00 C ATOM 414 CE LYS A 25 -11.734 3.638 16.629 1.00 0.00 C ATOM 415 NZ LYS A 25 -13.109 3.805 16.107 1.00 0.00 N ATOM 0 H LYS A 25 -7.164 0.984 14.323 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.128 0.637 16.927 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.196 1.284 14.277 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.344 0.481 15.330 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.813 2.143 17.143 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.713 2.962 16.052 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.411 4.030 14.971 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.343 2.555 14.804 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.734 2.915 17.444 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.378 4.582 17.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.735 4.124 16.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.107 4.512 15.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.452 2.896 15.736 1.00 0.00 H new ATOM 429 N GLU A 26 -8.088 -2.049 15.179 1.00 0.00 N ATOM 430 CA GLU A 26 -8.325 -3.483 15.210 1.00 0.00 C ATOM 431 C GLU A 26 -7.212 -4.187 15.989 1.00 0.00 C ATOM 432 O GLU A 26 -7.395 -5.308 16.463 1.00 0.00 O ATOM 433 CB GLU A 26 -8.447 -4.049 13.794 1.00 0.00 C ATOM 434 CG GLU A 26 -9.643 -3.439 13.061 1.00 0.00 C ATOM 435 CD GLU A 26 -10.867 -4.352 13.155 1.00 0.00 C ATOM 436 OE1 GLU A 26 -11.584 -4.237 14.173 1.00 0.00 O ATOM 437 OE2 GLU A 26 -11.059 -5.145 12.208 1.00 0.00 O ATOM 0 H GLU A 26 -7.490 -1.732 14.416 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.271 -3.665 15.721 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.532 -3.846 13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.558 -5.132 13.840 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.878 -2.464 13.489 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.387 -3.274 12.014 1.00 0.00 H new ATOM 444 N GLY A 27 -6.084 -3.502 16.097 1.00 0.00 N ATOM 445 CA GLY A 27 -4.942 -4.048 16.810 1.00 0.00 C ATOM 446 C GLY A 27 -3.957 -4.710 15.844 1.00 0.00 C ATOM 447 O GLY A 27 -3.182 -5.579 16.240 1.00 0.00 O ATOM 0 H GLY A 27 -5.936 -2.573 15.703 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.438 -3.253 17.360 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.282 -4.778 17.545 1.00 0.00 H new ATOM 451 N TYR A 28 -4.020 -4.274 14.594 1.00 0.00 N ATOM 452 CA TYR A 28 -3.144 -4.813 13.568 1.00 0.00 C ATOM 453 C TYR A 28 -1.752 -4.184 13.651 1.00 0.00 C ATOM 454 O TYR A 28 -1.617 -3.005 13.975 1.00 0.00 O ATOM 455 CB TYR A 28 -3.782 -4.437 12.229 1.00 0.00 C ATOM 456 CG TYR A 28 -5.204 -4.969 12.046 1.00 0.00 C ATOM 457 CD1 TYR A 28 -5.654 -6.017 12.823 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.037 -4.403 11.102 1.00 0.00 C ATOM 459 CE1 TYR A 28 -6.993 -6.518 12.651 1.00 0.00 C ATOM 460 CE2 TYR A 28 -7.376 -4.904 10.930 1.00 0.00 C ATOM 461 CZ TYR A 28 -7.788 -5.937 11.712 1.00 0.00 C ATOM 462 OH TYR A 28 -9.052 -6.411 11.549 1.00 0.00 O ATOM 0 H TYR A 28 -4.664 -3.553 14.269 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.029 -5.890 13.688 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.797 -3.351 12.138 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.156 -4.816 11.421 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.002 -6.461 13.560 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.684 -3.584 10.492 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.358 -7.336 13.254 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.038 -4.469 10.196 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.680 -5.660 11.505 1.00 0.00 H new ATOM 472 N GLN A 29 -0.751 -5.000 13.353 1.00 0.00 N ATOM 473 CA GLN A 29 0.627 -4.539 13.389 1.00 0.00 C ATOM 474 C GLN A 29 0.980 -3.818 12.086 1.00 0.00 C ATOM 475 O GLN A 29 0.988 -4.428 11.018 1.00 0.00 O ATOM 476 CB GLN A 29 1.587 -5.700 13.651 1.00 0.00 C ATOM 477 CG GLN A 29 2.282 -5.543 15.005 1.00 0.00 C ATOM 478 CD GLN A 29 2.937 -6.855 15.441 1.00 0.00 C ATOM 479 OE1 GLN A 29 2.283 -7.799 15.852 1.00 0.00 O ATOM 480 NE2 GLN A 29 4.263 -6.861 15.330 1.00 0.00 N ATOM 0 H GLN A 29 -0.867 -5.977 13.086 1.00 0.00 H new ATOM 0 HA GLN A 29 0.732 -3.832 14.212 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.039 -6.642 13.627 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.334 -5.745 12.858 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.037 -4.759 14.942 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.557 -5.227 15.755 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.749 -6.036 14.978 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.793 -7.690 15.597 1.00 0.00 H new ATOM 489 N THR A 30 1.263 -2.531 12.217 1.00 0.00 N ATOM 490 CA THR A 30 1.617 -1.721 11.064 1.00 0.00 C ATOM 491 C THR A 30 2.968 -1.038 11.285 1.00 0.00 C ATOM 492 O THR A 30 3.388 -0.841 12.424 1.00 0.00 O ATOM 493 CB THR A 30 0.473 -0.737 10.809 1.00 0.00 C ATOM 494 OG1 THR A 30 0.283 -0.093 12.065 1.00 0.00 O ATOM 495 CG2 THR A 30 -0.859 -1.443 10.547 1.00 0.00 C ATOM 0 H THR A 30 1.254 -2.028 13.105 1.00 0.00 H new ATOM 0 HA THR A 30 1.742 -2.336 10.173 1.00 0.00 H new ATOM 0 HB THR A 30 0.722 -0.104 9.957 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.323 0.669 11.954 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.637 -0.699 10.372 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.765 -2.083 9.670 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.125 -2.050 11.412 1.00 0.00 H new ATOM 503 N PHE A 31 3.610 -0.696 10.178 1.00 0.00 N ATOM 504 CA PHE A 31 4.905 -0.039 10.237 1.00 0.00 C ATOM 505 C PHE A 31 5.081 0.932 9.067 1.00 0.00 C ATOM 506 O PHE A 31 4.338 0.871 8.088 1.00 0.00 O ATOM 507 CB PHE A 31 5.967 -1.135 10.139 1.00 0.00 C ATOM 508 CG PHE A 31 7.144 -0.949 11.100 1.00 0.00 C ATOM 509 CD1 PHE A 31 8.216 -0.200 10.725 1.00 0.00 C ATOM 510 CD2 PHE A 31 7.118 -1.532 12.328 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.307 -0.027 11.616 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.210 -1.359 13.219 1.00 0.00 C ATOM 513 CZ PHE A 31 9.281 -0.610 12.845 1.00 0.00 C ATOM 0 H PHE A 31 3.258 -0.861 9.235 1.00 0.00 H new ATOM 0 HA PHE A 31 4.992 0.530 11.163 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.499 -2.099 10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.347 -1.168 9.118 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.237 0.263 9.749 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.267 -2.127 12.626 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.158 0.568 11.318 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.190 -1.823 14.194 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.111 -0.478 13.523 1.00 0.00 H new ATOM 523 N GLN A 32 6.068 1.804 9.207 1.00 0.00 N ATOM 524 CA GLN A 32 6.351 2.786 8.174 1.00 0.00 C ATOM 525 C GLN A 32 7.757 2.572 7.610 1.00 0.00 C ATOM 526 O GLN A 32 8.670 2.186 8.338 1.00 0.00 O ATOM 527 CB GLN A 32 6.186 4.209 8.711 1.00 0.00 C ATOM 528 CG GLN A 32 7.141 5.175 8.006 1.00 0.00 C ATOM 529 CD GLN A 32 6.670 6.622 8.161 1.00 0.00 C ATOM 530 OE1 GLN A 32 5.754 7.079 7.496 1.00 0.00 O ATOM 531 NE2 GLN A 32 7.344 7.316 9.073 1.00 0.00 N ATOM 0 H GLN A 32 6.682 1.851 10.020 1.00 0.00 H new ATOM 0 HA GLN A 32 5.632 2.653 7.366 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.157 4.539 8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.377 4.221 9.784 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.143 5.069 8.421 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.205 4.921 6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.100 6.873 9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.105 8.292 9.251 1.00 0.00 H new ATOM 540 N ALA A 33 7.888 2.833 6.318 1.00 0.00 N ATOM 541 CA ALA A 33 9.167 2.675 5.648 1.00 0.00 C ATOM 542 C ALA A 33 9.374 3.834 4.671 1.00 0.00 C ATOM 543 O ALA A 33 8.415 4.496 4.276 1.00 0.00 O ATOM 544 CB ALA A 33 9.214 1.312 4.953 1.00 0.00 C ATOM 0 H ALA A 33 7.129 3.153 5.717 1.00 0.00 H new ATOM 0 HA ALA A 33 9.984 2.703 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.174 1.193 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.092 0.522 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.410 1.250 4.220 1.00 0.00 H new ATOM 550 N ALA A 34 10.631 4.045 4.311 1.00 0.00 N ATOM 551 CA ALA A 34 10.976 5.113 3.388 1.00 0.00 C ATOM 552 C ALA A 34 11.807 4.540 2.239 1.00 0.00 C ATOM 553 O ALA A 34 12.687 5.216 1.707 1.00 0.00 O ATOM 554 CB ALA A 34 11.711 6.223 4.143 1.00 0.00 C ATOM 0 H ALA A 34 11.423 3.495 4.642 1.00 0.00 H new ATOM 0 HA ALA A 34 10.077 5.553 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.970 7.024 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.067 6.617 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.621 5.820 4.588 1.00 0.00 H new ATOM 560 N ASN A 35 11.499 3.300 1.888 1.00 0.00 N ATOM 561 CA ASN A 35 12.207 2.629 0.812 1.00 0.00 C ATOM 562 C ASN A 35 11.503 1.309 0.490 1.00 0.00 C ATOM 563 O ASN A 35 10.665 0.844 1.261 1.00 0.00 O ATOM 564 CB ASN A 35 13.648 2.309 1.215 1.00 0.00 C ATOM 565 CG ASN A 35 14.538 3.548 1.095 1.00 0.00 C ATOM 566 OD1 ASN A 35 14.708 3.973 -0.153 1.00 0.00 O flip ATOM 567 ND2 ASN A 35 15.037 4.082 2.072 1.00 0.00 N flip ATOM 0 H ASN A 35 10.768 2.743 2.330 1.00 0.00 H new ATOM 0 HA ASN A 35 12.213 3.293 -0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.669 1.939 2.240 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.039 1.513 0.581 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.865 3.703 3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.626 4.907 1.957 1.00 0.00 H new ATOM 574 N GLY A 36 11.869 0.743 -0.651 1.00 0.00 N ATOM 575 CA GLY A 36 11.283 -0.514 -1.085 1.00 0.00 C ATOM 576 C GLY A 36 11.884 -1.693 -0.317 1.00 0.00 C ATOM 577 O GLY A 36 11.159 -2.575 0.141 1.00 0.00 O ATOM 0 H GLY A 36 12.564 1.132 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.204 -0.488 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.451 -0.648 -2.154 1.00 0.00 H new ATOM 581 N LEU A 37 13.204 -1.671 -0.200 1.00 0.00 N ATOM 582 CA LEU A 37 13.911 -2.727 0.504 1.00 0.00 C ATOM 583 C LEU A 37 13.443 -2.765 1.960 1.00 0.00 C ATOM 584 O LEU A 37 13.067 -3.820 2.468 1.00 0.00 O ATOM 585 CB LEU A 37 15.423 -2.556 0.348 1.00 0.00 C ATOM 586 CG LEU A 37 16.181 -3.764 -0.206 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.652 -3.423 -0.452 1.00 0.00 C ATOM 588 CD2 LEU A 37 16.020 -4.979 0.709 1.00 0.00 C ATOM 0 H LEU A 37 13.802 -0.938 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 37 13.677 -3.698 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.607 -1.705 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.843 -2.304 1.322 1.00 0.00 H new ATOM 0 HG LEU A 37 15.746 -4.027 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.168 -4.299 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.721 -2.607 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.117 -3.119 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.568 -5.824 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.413 -4.744 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.964 -5.236 0.790 1.00 0.00 H new ATOM 600 N GLN A 38 13.482 -1.600 2.591 1.00 0.00 N ATOM 601 CA GLN A 38 13.067 -1.487 3.979 1.00 0.00 C ATOM 602 C GLN A 38 11.661 -2.064 4.161 1.00 0.00 C ATOM 603 O GLN A 38 11.328 -2.569 5.232 1.00 0.00 O ATOM 604 CB GLN A 38 13.129 -0.033 4.453 1.00 0.00 C ATOM 605 CG GLN A 38 14.424 0.238 5.221 1.00 0.00 C ATOM 606 CD GLN A 38 14.704 1.740 5.310 1.00 0.00 C ATOM 607 OE1 GLN A 38 14.990 2.403 4.328 1.00 0.00 O ATOM 608 NE2 GLN A 38 14.605 2.236 6.540 1.00 0.00 N ATOM 0 H GLN A 38 13.794 -0.727 2.167 1.00 0.00 H new ATOM 0 HA GLN A 38 13.758 -2.065 4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.064 0.636 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.272 0.182 5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.351 -0.182 6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.256 -0.262 4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.361 1.624 7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.773 3.229 6.705 1.00 0.00 H new ATOM 617 N ALA A 39 10.875 -1.968 3.100 1.00 0.00 N ATOM 618 CA ALA A 39 9.513 -2.474 3.129 1.00 0.00 C ATOM 619 C ALA A 39 9.528 -3.982 2.870 1.00 0.00 C ATOM 620 O ALA A 39 8.682 -4.712 3.384 1.00 0.00 O ATOM 621 CB ALA A 39 8.664 -1.715 2.108 1.00 0.00 C ATOM 0 H ALA A 39 11.155 -1.547 2.214 1.00 0.00 H new ATOM 0 HA ALA A 39 9.065 -2.313 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.643 -2.095 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.662 -0.653 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.082 -1.855 1.111 1.00 0.00 H new ATOM 627 N LEU A 40 10.498 -4.403 2.072 1.00 0.00 N ATOM 628 CA LEU A 40 10.634 -5.811 1.738 1.00 0.00 C ATOM 629 C LEU A 40 11.019 -6.594 2.995 1.00 0.00 C ATOM 630 O LEU A 40 10.423 -7.627 3.294 1.00 0.00 O ATOM 631 CB LEU A 40 11.613 -5.994 0.576 1.00 0.00 C ATOM 632 CG LEU A 40 11.092 -5.600 -0.808 1.00 0.00 C ATOM 633 CD1 LEU A 40 12.043 -6.075 -1.907 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.666 -6.111 -1.023 1.00 0.00 C ATOM 0 H LEU A 40 11.197 -3.794 1.647 1.00 0.00 H new ATOM 0 HA LEU A 40 9.683 -6.213 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.508 -5.409 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.916 -7.040 0.544 1.00 0.00 H new ATOM 0 HG LEU A 40 11.055 -4.512 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.649 -5.782 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.023 -5.622 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.135 -7.160 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.320 -5.817 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.653 -7.198 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.008 -5.682 -0.267 1.00 0.00 H new ATOM 646 N ASP A 41 12.014 -6.071 3.698 1.00 0.00 N ATOM 647 CA ASP A 41 12.485 -6.708 4.915 1.00 0.00 C ATOM 648 C ASP A 41 11.370 -6.686 5.962 1.00 0.00 C ATOM 649 O ASP A 41 11.129 -7.684 6.639 1.00 0.00 O ATOM 650 CB ASP A 41 13.692 -5.966 5.494 1.00 0.00 C ATOM 651 CG ASP A 41 14.999 -6.760 5.496 1.00 0.00 C ATOM 652 OD1 ASP A 41 15.413 -7.176 4.393 1.00 0.00 O ATOM 653 OD2 ASP A 41 15.555 -6.934 6.602 1.00 0.00 O ATOM 0 H ASP A 41 12.506 -5.214 3.447 1.00 0.00 H new ATOM 0 HA ASP A 41 12.773 -7.730 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.843 -5.049 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.462 -5.672 6.518 1.00 0.00 H new ATOM 658 N ILE A 42 10.719 -5.536 6.063 1.00 0.00 N ATOM 659 CA ILE A 42 9.635 -5.371 7.016 1.00 0.00 C ATOM 660 C ILE A 42 8.401 -6.122 6.513 1.00 0.00 C ATOM 661 O ILE A 42 7.529 -6.487 7.300 1.00 0.00 O ATOM 662 CB ILE A 42 9.383 -3.886 7.289 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.533 -3.273 8.090 1.00 0.00 C ATOM 664 CG2 ILE A 42 8.031 -3.676 7.974 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.004 -2.359 9.197 1.00 0.00 C ATOM 0 H ILE A 42 10.922 -4.710 5.500 1.00 0.00 H new ATOM 0 HA ILE A 42 9.904 -5.807 7.978 1.00 0.00 H new ATOM 0 HB ILE A 42 9.343 -3.365 6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.140 -4.066 8.527 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.183 -2.705 7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.877 -2.613 8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.235 -4.053 7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.016 -4.213 8.923 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.842 -1.936 9.751 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.418 -1.553 8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.375 -2.935 9.875 1.00 0.00 H new ATOM 677 N VAL A 43 8.366 -6.331 5.206 1.00 0.00 N ATOM 678 CA VAL A 43 7.253 -7.032 4.588 1.00 0.00 C ATOM 679 C VAL A 43 7.177 -8.453 5.151 1.00 0.00 C ATOM 680 O VAL A 43 6.091 -9.019 5.271 1.00 0.00 O ATOM 681 CB VAL A 43 7.393 -6.998 3.065 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.979 -8.335 2.447 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.588 -5.843 2.466 1.00 0.00 C ATOM 0 H VAL A 43 9.091 -6.027 4.556 1.00 0.00 H new ATOM 0 HA VAL A 43 6.311 -6.537 4.824 1.00 0.00 H new ATOM 0 HB VAL A 43 8.444 -6.831 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.088 -8.284 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.614 -9.129 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.939 -8.545 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.705 -5.842 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.534 -5.965 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.950 -4.898 2.871 1.00 0.00 H new ATOM 693 N THR A 44 8.343 -8.988 5.480 1.00 0.00 N ATOM 694 CA THR A 44 8.422 -10.332 6.026 1.00 0.00 C ATOM 695 C THR A 44 8.353 -10.292 7.554 1.00 0.00 C ATOM 696 O THR A 44 7.795 -11.192 8.178 1.00 0.00 O ATOM 697 CB THR A 44 9.698 -10.986 5.492 1.00 0.00 C ATOM 698 OG1 THR A 44 9.596 -10.842 4.078 1.00 0.00 O ATOM 699 CG2 THR A 44 9.717 -12.500 5.712 1.00 0.00 C ATOM 0 H THR A 44 9.241 -8.515 5.379 1.00 0.00 H new ATOM 0 HA THR A 44 7.573 -10.938 5.709 1.00 0.00 H new ATOM 0 HB THR A 44 10.565 -10.538 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.384 -11.238 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.644 -12.914 5.315 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.652 -12.713 6.779 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.868 -12.953 5.199 1.00 0.00 H new ATOM 707 N LYS A 45 8.930 -9.237 8.113 1.00 0.00 N ATOM 708 CA LYS A 45 8.942 -9.067 9.556 1.00 0.00 C ATOM 709 C LYS A 45 7.531 -8.719 10.035 1.00 0.00 C ATOM 710 O LYS A 45 7.002 -9.364 10.940 1.00 0.00 O ATOM 711 CB LYS A 45 10.001 -8.043 9.966 1.00 0.00 C ATOM 712 CG LYS A 45 10.992 -8.647 10.963 1.00 0.00 C ATOM 713 CD LYS A 45 11.181 -7.730 12.173 1.00 0.00 C ATOM 714 CE LYS A 45 12.666 -7.518 12.473 1.00 0.00 C ATOM 715 NZ LYS A 45 13.076 -8.318 13.649 1.00 0.00 N ATOM 0 H LYS A 45 9.392 -8.492 7.592 1.00 0.00 H new ATOM 0 HA LYS A 45 9.226 -9.998 10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.536 -7.694 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.518 -7.173 10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.632 -9.621 11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.952 -8.811 10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.704 -6.769 11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.689 -8.164 13.043 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.263 -7.803 11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.858 -6.461 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.087 -8.163 13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.519 -8.027 14.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.911 -9.327 13.457 1.00 0.00 H new ATOM 729 N GLU A 46 6.962 -7.701 9.407 1.00 0.00 N ATOM 730 CA GLU A 46 5.623 -7.259 9.759 1.00 0.00 C ATOM 731 C GLU A 46 4.576 -8.127 9.056 1.00 0.00 C ATOM 732 O GLU A 46 3.390 -8.055 9.374 1.00 0.00 O ATOM 733 CB GLU A 46 5.426 -5.781 9.419 1.00 0.00 C ATOM 734 CG GLU A 46 5.834 -4.889 10.594 1.00 0.00 C ATOM 735 CD GLU A 46 4.613 -4.207 11.214 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.655 -3.956 10.452 1.00 0.00 O ATOM 737 OE2 GLU A 46 4.665 -3.953 12.437 1.00 0.00 O ATOM 0 H GLU A 46 7.403 -7.169 8.657 1.00 0.00 H new ATOM 0 HA GLU A 46 5.496 -7.370 10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.018 -5.524 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.382 -5.599 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.344 -5.487 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.543 -4.134 10.253 1.00 0.00 H new ATOM 744 N ARG A 47 5.053 -8.927 8.114 1.00 0.00 N ATOM 745 CA ARG A 47 4.174 -9.807 7.364 1.00 0.00 C ATOM 746 C ARG A 47 2.794 -9.167 7.202 1.00 0.00 C ATOM 747 O ARG A 47 1.789 -9.730 7.632 1.00 0.00 O ATOM 748 CB ARG A 47 4.022 -11.160 8.063 1.00 0.00 C ATOM 749 CG ARG A 47 3.555 -10.980 9.509 1.00 0.00 C ATOM 750 CD ARG A 47 2.942 -12.273 10.052 1.00 0.00 C ATOM 751 NE ARG A 47 3.843 -13.414 9.778 1.00 0.00 N ATOM 752 CZ ARG A 47 3.452 -14.696 9.771 1.00 0.00 C ATOM 753 NH1 ARG A 47 2.173 -15.007 10.022 1.00 0.00 N ATOM 754 NH2 ARG A 47 4.339 -15.666 9.512 1.00 0.00 N ATOM 0 H ARG A 47 6.037 -8.984 7.853 1.00 0.00 H new ATOM 0 HA ARG A 47 4.622 -9.966 6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.305 -11.776 7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.974 -11.690 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.398 -10.683 10.133 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.821 -10.176 9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.773 -12.182 11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.970 -12.447 9.589 1.00 0.00 H new ATOM 0 HE ARG A 47 4.823 -13.212 9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.498 -14.268 10.218 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.875 -15.982 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.312 -15.429 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.041 -16.641 9.507 1.00 0.00 H new ATOM 768 N PRO A 48 2.789 -7.966 6.563 1.00 0.00 N ATOM 769 CA PRO A 48 1.549 -7.242 6.339 1.00 0.00 C ATOM 770 C PRO A 48 0.736 -7.884 5.212 1.00 0.00 C ATOM 771 O PRO A 48 1.294 -8.549 4.341 1.00 0.00 O ATOM 772 CB PRO A 48 1.976 -5.818 6.026 1.00 0.00 C ATOM 773 CG PRO A 48 3.441 -5.899 5.630 1.00 0.00 C ATOM 774 CD PRO A 48 3.960 -7.268 6.039 1.00 0.00 C ATOM 0 HA PRO A 48 0.887 -7.264 7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.376 -5.399 5.218 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.841 -5.171 6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.555 -5.753 4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.013 -5.112 6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.390 -7.799 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.743 -7.186 6.793 1.00 0.00 H new ATOM 782 N ASP A 49 -0.569 -7.662 5.267 1.00 0.00 N ATOM 783 CA ASP A 49 -1.464 -8.210 4.262 1.00 0.00 C ATOM 784 C ASP A 49 -1.806 -7.122 3.242 1.00 0.00 C ATOM 785 O ASP A 49 -2.568 -7.360 2.307 1.00 0.00 O ATOM 786 CB ASP A 49 -2.771 -8.693 4.894 1.00 0.00 C ATOM 787 CG ASP A 49 -2.638 -9.244 6.315 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.042 -8.527 7.148 1.00 0.00 O ATOM 789 OD2 ASP A 49 -3.135 -10.369 6.536 1.00 0.00 O ATOM 0 H ASP A 49 -1.028 -7.110 5.992 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.961 -9.051 3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.479 -7.864 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.199 -9.468 4.259 1.00 0.00 H new ATOM 794 N LEU A 50 -1.224 -5.951 3.456 1.00 0.00 N ATOM 795 CA LEU A 50 -1.458 -4.826 2.567 1.00 0.00 C ATOM 796 C LEU A 50 -0.436 -3.726 2.864 1.00 0.00 C ATOM 797 O LEU A 50 -0.340 -3.251 3.994 1.00 0.00 O ATOM 798 CB LEU A 50 -2.911 -4.357 2.665 1.00 0.00 C ATOM 799 CG LEU A 50 -3.561 -3.908 1.355 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.147 -2.479 0.999 1.00 0.00 C ATOM 801 CD2 LEU A 50 -3.254 -4.892 0.225 1.00 0.00 C ATOM 0 H LEU A 50 -0.591 -5.757 4.232 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.314 -5.125 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.506 -5.169 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.958 -3.530 3.373 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.642 -3.905 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.623 -2.185 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.459 -1.801 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.064 -2.432 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.728 -4.549 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.176 -4.952 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.639 -5.878 0.486 1.00 0.00 H new ATOM 813 N VAL A 51 0.303 -3.354 1.828 1.00 0.00 N ATOM 814 CA VAL A 51 1.314 -2.319 1.964 1.00 0.00 C ATOM 815 C VAL A 51 1.084 -1.245 0.899 1.00 0.00 C ATOM 816 O VAL A 51 0.662 -1.550 -0.215 1.00 0.00 O ATOM 817 CB VAL A 51 2.710 -2.940 1.894 1.00 0.00 C ATOM 818 CG1 VAL A 51 2.797 -3.969 0.765 1.00 0.00 C ATOM 819 CG2 VAL A 51 3.783 -1.861 1.737 1.00 0.00 C ATOM 0 H VAL A 51 0.222 -3.751 0.892 1.00 0.00 H new ATOM 0 HA VAL A 51 1.236 -1.834 2.937 1.00 0.00 H new ATOM 0 HB VAL A 51 2.893 -3.459 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.800 -4.395 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.070 -4.763 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.583 -3.483 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.766 -2.330 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.604 -1.300 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.745 -1.183 2.590 1.00 0.00 H new ATOM 829 N LEU A 52 1.371 -0.009 1.280 1.00 0.00 N ATOM 830 CA LEU A 52 1.200 1.113 0.372 1.00 0.00 C ATOM 831 C LEU A 52 2.570 1.708 0.041 1.00 0.00 C ATOM 832 O LEU A 52 3.453 1.756 0.897 1.00 0.00 O ATOM 833 CB LEU A 52 0.213 2.127 0.953 1.00 0.00 C ATOM 834 CG LEU A 52 0.718 2.951 2.139 1.00 0.00 C ATOM 835 CD1 LEU A 52 0.874 4.424 1.757 1.00 0.00 C ATOM 836 CD2 LEU A 52 -0.188 2.769 3.359 1.00 0.00 C ATOM 0 H LEU A 52 1.721 0.240 2.205 1.00 0.00 H new ATOM 0 HA LEU A 52 0.761 0.779 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.082 2.813 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.685 1.593 1.263 1.00 0.00 H new ATOM 0 HG LEU A 52 1.707 2.583 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.234 4.987 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.589 4.514 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.090 4.822 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.194 3.365 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.199 3.094 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.205 1.718 3.646 1.00 0.00 H new ATOM 848 N LEU A 53 2.705 2.147 -1.202 1.00 0.00 N ATOM 849 CA LEU A 53 3.952 2.737 -1.656 1.00 0.00 C ATOM 850 C LEU A 53 3.648 3.857 -2.653 1.00 0.00 C ATOM 851 O LEU A 53 2.891 3.659 -3.603 1.00 0.00 O ATOM 852 CB LEU A 53 4.885 1.658 -2.209 1.00 0.00 C ATOM 853 CG LEU A 53 6.252 2.140 -2.699 1.00 0.00 C ATOM 854 CD1 LEU A 53 6.123 2.903 -4.020 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.959 2.970 -1.625 1.00 0.00 C ATOM 0 H LEU A 53 1.971 2.106 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 53 4.486 3.190 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.043 0.909 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.380 1.158 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 53 6.874 1.265 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.109 3.235 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.691 2.249 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.477 3.770 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.928 3.300 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.350 3.840 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.103 2.362 -0.732 1.00 0.00 H new ATOM 867 N ASP A 54 4.253 5.009 -2.404 1.00 0.00 N ATOM 868 CA ASP A 54 4.057 6.160 -3.268 1.00 0.00 C ATOM 869 C ASP A 54 5.185 6.216 -4.300 1.00 0.00 C ATOM 870 O ASP A 54 6.358 6.100 -3.950 1.00 0.00 O ATOM 871 CB ASP A 54 4.086 7.463 -2.465 1.00 0.00 C ATOM 872 CG ASP A 54 5.340 8.317 -2.663 1.00 0.00 C ATOM 873 OD1 ASP A 54 6.430 7.813 -2.318 1.00 0.00 O ATOM 874 OD2 ASP A 54 5.179 9.454 -3.156 1.00 0.00 O ATOM 0 H ASP A 54 4.880 5.170 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 54 3.086 6.056 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.213 8.058 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.992 7.222 -1.406 1.00 0.00 H new ATOM 879 N MET A 55 4.789 6.394 -5.552 1.00 0.00 N ATOM 880 CA MET A 55 5.752 6.467 -6.638 1.00 0.00 C ATOM 881 C MET A 55 7.049 7.135 -6.177 1.00 0.00 C ATOM 882 O MET A 55 8.138 6.737 -6.589 1.00 0.00 O ATOM 883 CB MET A 55 5.153 7.262 -7.800 1.00 0.00 C ATOM 884 CG MET A 55 4.689 8.644 -7.337 1.00 0.00 C ATOM 885 SD MET A 55 2.970 8.581 -6.857 1.00 0.00 S ATOM 886 CE MET A 55 3.147 8.510 -5.082 1.00 0.00 C ATOM 0 H MET A 55 3.815 6.490 -5.838 1.00 0.00 H new ATOM 0 HA MET A 55 5.983 5.452 -6.962 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.894 7.370 -8.592 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.311 6.715 -8.224 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.298 8.979 -6.497 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.825 9.370 -8.139 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.618 7.638 -4.698 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.204 8.436 -4.824 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.728 9.413 -4.638 1.00 0.00 H new ATOM 896 N LYS A 56 6.890 8.140 -5.328 1.00 0.00 N ATOM 897 CA LYS A 56 8.034 8.868 -4.807 1.00 0.00 C ATOM 898 C LYS A 56 8.893 7.923 -3.963 1.00 0.00 C ATOM 899 O LYS A 56 8.411 6.893 -3.494 1.00 0.00 O ATOM 900 CB LYS A 56 7.576 10.119 -4.055 1.00 0.00 C ATOM 901 CG LYS A 56 8.603 11.246 -4.189 1.00 0.00 C ATOM 902 CD LYS A 56 8.203 12.223 -5.296 1.00 0.00 C ATOM 903 CE LYS A 56 8.988 11.949 -6.580 1.00 0.00 C ATOM 904 NZ LYS A 56 8.501 12.810 -7.680 1.00 0.00 N ATOM 0 H LYS A 56 5.986 8.467 -4.988 1.00 0.00 H new ATOM 0 HA LYS A 56 8.661 9.227 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.614 10.451 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.428 9.881 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.689 11.779 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.584 10.825 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.135 12.137 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.384 13.246 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.049 12.132 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.886 10.900 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.045 12.611 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.494 12.616 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.621 13.809 -7.418 1.00 0.00 H new ATOM 918 N ILE A 57 10.150 8.307 -3.796 1.00 0.00 N ATOM 919 CA ILE A 57 11.080 7.507 -3.018 1.00 0.00 C ATOM 920 C ILE A 57 12.512 7.920 -3.362 1.00 0.00 C ATOM 921 O ILE A 57 12.821 8.197 -4.519 1.00 0.00 O ATOM 922 CB ILE A 57 10.803 6.016 -3.220 1.00 0.00 C ATOM 923 CG1 ILE A 57 10.007 5.442 -2.047 1.00 0.00 C ATOM 924 CG2 ILE A 57 12.103 5.246 -3.462 1.00 0.00 C ATOM 925 CD1 ILE A 57 10.920 5.151 -0.854 1.00 0.00 C ATOM 0 H ILE A 57 10.546 9.162 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 57 10.943 7.691 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 57 10.188 5.900 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.230 6.147 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.505 4.526 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.879 4.189 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.595 5.634 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 57 12.762 5.366 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.329 4.744 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.681 4.428 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.401 6.074 -0.531 1.00 0.00 H new ATOM 937 N PRO A 58 13.371 7.948 -2.307 1.00 0.00 N ATOM 938 CA PRO A 58 14.764 8.321 -2.486 1.00 0.00 C ATOM 939 C PRO A 58 15.555 7.190 -3.145 1.00 0.00 C ATOM 940 O PRO A 58 15.536 6.055 -2.670 1.00 0.00 O ATOM 941 CB PRO A 58 15.262 8.661 -1.091 1.00 0.00 C ATOM 942 CG PRO A 58 14.274 8.022 -0.129 1.00 0.00 C ATOM 943 CD PRO A 58 13.040 7.626 -0.922 1.00 0.00 C ATOM 0 HA PRO A 58 14.889 9.171 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.269 8.275 -0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.307 9.740 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.717 7.148 0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.009 8.720 0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.817 6.566 -0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.160 8.176 -0.587 1.00 0.00 H new ATOM 951 N GLY A 59 16.232 7.537 -4.230 1.00 0.00 N ATOM 952 CA GLY A 59 17.028 6.565 -4.958 1.00 0.00 C ATOM 953 C GLY A 59 16.134 5.582 -5.718 1.00 0.00 C ATOM 954 O GLY A 59 15.491 4.727 -5.112 1.00 0.00 O ATOM 0 H GLY A 59 16.245 8.479 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.686 7.080 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.666 6.019 -4.263 1.00 0.00 H new ATOM 958 N MET A 60 16.122 5.738 -7.033 1.00 0.00 N ATOM 959 CA MET A 60 15.317 4.876 -7.882 1.00 0.00 C ATOM 960 C MET A 60 13.852 4.885 -7.440 1.00 0.00 C ATOM 961 O MET A 60 13.492 4.236 -6.459 1.00 0.00 O ATOM 962 CB MET A 60 15.861 3.447 -7.819 1.00 0.00 C ATOM 963 CG MET A 60 15.830 2.788 -9.200 1.00 0.00 C ATOM 964 SD MET A 60 15.800 1.012 -9.028 1.00 0.00 S ATOM 965 CE MET A 60 14.260 0.812 -8.146 1.00 0.00 C ATOM 0 H MET A 60 16.657 6.449 -7.532 1.00 0.00 H new ATOM 0 HA MET A 60 15.371 5.250 -8.904 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.883 3.459 -7.441 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.269 2.859 -7.118 1.00 0.00 H new ATOM 0 HG2 MET A 60 14.952 3.123 -9.752 1.00 0.00 H new ATOM 0 HG3 MET A 60 16.704 3.091 -9.776 1.00 0.00 H new ATOM 0 HE1 MET A 60 13.816 -0.149 -8.403 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.448 0.849 -7.073 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.575 1.614 -8.423 1.00 0.00 H new ATOM 975 N ASP A 61 13.047 5.627 -8.186 1.00 0.00 N ATOM 976 CA ASP A 61 11.630 5.729 -7.884 1.00 0.00 C ATOM 977 C ASP A 61 11.071 4.333 -7.605 1.00 0.00 C ATOM 978 O ASP A 61 11.759 3.333 -7.805 1.00 0.00 O ATOM 979 CB ASP A 61 10.856 6.320 -9.064 1.00 0.00 C ATOM 980 CG ASP A 61 11.560 6.212 -10.419 1.00 0.00 C ATOM 981 OD1 ASP A 61 11.732 5.062 -10.878 1.00 0.00 O ATOM 982 OD2 ASP A 61 11.910 7.281 -10.963 1.00 0.00 O ATOM 0 H ASP A 61 13.349 6.163 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 61 11.516 6.379 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.890 5.820 -9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.656 7.372 -8.858 1.00 0.00 H new ATOM 987 N GLY A 62 9.828 4.309 -7.146 1.00 0.00 N ATOM 988 CA GLY A 62 9.168 3.051 -6.837 1.00 0.00 C ATOM 989 C GLY A 62 8.733 2.331 -8.115 1.00 0.00 C ATOM 990 O GLY A 62 8.489 1.126 -8.100 1.00 0.00 O ATOM 0 H GLY A 62 9.260 5.140 -6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.843 2.412 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.299 3.238 -6.207 1.00 0.00 H new ATOM 994 N ILE A 63 8.650 3.101 -9.190 1.00 0.00 N ATOM 995 CA ILE A 63 8.249 2.552 -10.474 1.00 0.00 C ATOM 996 C ILE A 63 8.994 1.237 -10.717 1.00 0.00 C ATOM 997 O ILE A 63 8.420 0.281 -11.236 1.00 0.00 O ATOM 998 CB ILE A 63 8.447 3.585 -11.585 1.00 0.00 C ATOM 999 CG1 ILE A 63 7.672 4.870 -11.283 1.00 0.00 C ATOM 1000 CG2 ILE A 63 8.079 3.001 -12.950 1.00 0.00 C ATOM 1001 CD1 ILE A 63 8.473 6.104 -11.702 1.00 0.00 C ATOM 0 H ILE A 63 8.854 4.100 -9.198 1.00 0.00 H new ATOM 0 HA ILE A 63 7.184 2.320 -10.473 1.00 0.00 H new ATOM 0 HB ILE A 63 9.504 3.847 -11.623 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.718 4.856 -11.809 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.448 4.922 -10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.229 3.756 -13.721 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.711 2.138 -13.159 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.034 2.692 -12.944 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.900 7.003 -11.477 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.416 6.128 -11.156 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.674 6.061 -12.772 1.00 0.00 H new ATOM 1013 N GLU A 64 10.261 1.232 -10.330 1.00 0.00 N ATOM 1014 CA GLU A 64 11.090 0.051 -10.500 1.00 0.00 C ATOM 1015 C GLU A 64 10.941 -0.880 -9.295 1.00 0.00 C ATOM 1016 O GLU A 64 10.765 -2.086 -9.456 1.00 0.00 O ATOM 1017 CB GLU A 64 12.555 0.436 -10.716 1.00 0.00 C ATOM 1018 CG GLU A 64 12.791 0.910 -12.152 1.00 0.00 C ATOM 1019 CD GLU A 64 13.809 0.016 -12.864 1.00 0.00 C ATOM 1020 OE1 GLU A 64 13.791 -1.201 -12.580 1.00 0.00 O ATOM 1021 OE2 GLU A 64 14.582 0.571 -13.675 1.00 0.00 O ATOM 0 H GLU A 64 10.734 2.027 -9.899 1.00 0.00 H new ATOM 0 HA GLU A 64 10.753 -0.480 -11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.834 1.225 -10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.195 -0.420 -10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.849 0.903 -12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.148 1.940 -12.145 1.00 0.00 H new ATOM 1028 N ILE A 65 11.015 -0.283 -8.114 1.00 0.00 N ATOM 1029 CA ILE A 65 10.890 -1.044 -6.882 1.00 0.00 C ATOM 1030 C ILE A 65 9.679 -1.973 -6.982 1.00 0.00 C ATOM 1031 O ILE A 65 9.822 -3.194 -6.932 1.00 0.00 O ATOM 1032 CB ILE A 65 10.847 -0.105 -5.675 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.086 0.791 -5.633 1.00 0.00 C ATOM 1034 CG2 ILE A 65 10.664 -0.892 -4.375 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.072 1.689 -4.394 1.00 0.00 C ATOM 0 H ILE A 65 11.160 0.718 -7.984 1.00 0.00 H new ATOM 0 HA ILE A 65 11.765 -1.676 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 65 9.981 0.548 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.985 0.175 -5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.125 1.406 -6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.637 -0.201 -3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.729 -1.451 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.496 -1.585 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.964 2.316 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.184 2.321 -4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.058 1.071 -3.497 1.00 0.00 H new ATOM 1047 N LEU A 66 8.513 -1.359 -7.123 1.00 0.00 N ATOM 1048 CA LEU A 66 7.277 -2.116 -7.230 1.00 0.00 C ATOM 1049 C LEU A 66 7.410 -3.145 -8.355 1.00 0.00 C ATOM 1050 O LEU A 66 6.960 -4.281 -8.219 1.00 0.00 O ATOM 1051 CB LEU A 66 6.084 -1.173 -7.398 1.00 0.00 C ATOM 1052 CG LEU A 66 5.845 -0.185 -6.254 1.00 0.00 C ATOM 1053 CD1 LEU A 66 6.470 -0.691 -4.953 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.344 1.213 -6.624 1.00 0.00 C ATOM 0 H LEU A 66 8.398 -0.346 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 66 7.089 -2.670 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.221 -0.606 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.185 -1.776 -7.525 1.00 0.00 H new ATOM 0 HG LEU A 66 4.771 -0.110 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.286 0.030 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.026 -1.650 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.544 -0.814 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.162 1.896 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.413 1.174 -6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.813 1.567 -7.508 1.00 0.00 H new ATOM 1066 N LYS A 67 8.030 -2.709 -9.442 1.00 0.00 N ATOM 1067 CA LYS A 67 8.228 -3.577 -10.590 1.00 0.00 C ATOM 1068 C LYS A 67 8.948 -4.851 -10.142 1.00 0.00 C ATOM 1069 O LYS A 67 8.394 -5.945 -10.232 1.00 0.00 O ATOM 1070 CB LYS A 67 8.948 -2.826 -11.712 1.00 0.00 C ATOM 1071 CG LYS A 67 8.111 -2.821 -12.993 1.00 0.00 C ATOM 1072 CD LYS A 67 8.993 -3.037 -14.225 1.00 0.00 C ATOM 1073 CE LYS A 67 9.140 -4.527 -14.539 1.00 0.00 C ATOM 1074 NZ LYS A 67 10.570 -4.900 -14.624 1.00 0.00 N ATOM 0 H LYS A 67 8.402 -1.766 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 67 7.268 -3.882 -11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.147 -1.801 -11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.914 -3.293 -11.906 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.355 -3.604 -12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.582 -1.872 -13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.559 -2.522 -15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.976 -2.599 -14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.649 -5.118 -13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.641 -4.757 -15.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.652 -5.914 -14.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.028 -4.349 -15.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.036 -4.699 -13.716 1.00 0.00 H new ATOM 1088 N ARG A 68 10.172 -4.666 -9.669 1.00 0.00 N ATOM 1089 CA ARG A 68 10.973 -5.786 -9.207 1.00 0.00 C ATOM 1090 C ARG A 68 10.210 -6.583 -8.147 1.00 0.00 C ATOM 1091 O ARG A 68 10.342 -7.803 -8.067 1.00 0.00 O ATOM 1092 CB ARG A 68 12.301 -5.308 -8.618 1.00 0.00 C ATOM 1093 CG ARG A 68 13.411 -5.338 -9.671 1.00 0.00 C ATOM 1094 CD ARG A 68 14.685 -4.674 -9.145 1.00 0.00 C ATOM 1095 NE ARG A 68 15.645 -5.706 -8.697 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.166 -6.646 -9.498 1.00 0.00 C ATOM 1097 NH1 ARG A 68 15.822 -6.689 -10.792 1.00 0.00 N ATOM 1098 NH2 ARG A 68 17.031 -7.543 -9.004 1.00 0.00 N ATOM 0 H ARG A 68 10.628 -3.757 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 68 11.179 -6.423 -10.067 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.188 -4.295 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.578 -5.941 -7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.624 -6.370 -9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.075 -4.826 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.135 -4.062 -9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.443 -4.007 -8.317 1.00 0.00 H new ATOM 0 HE ARG A 68 15.928 -5.702 -7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.164 -6.006 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.218 -7.404 -11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.293 -7.510 -8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.428 -8.258 -9.613 1.00 0.00 H new ATOM 1112 N MET A 69 9.428 -5.860 -7.358 1.00 0.00 N ATOM 1113 CA MET A 69 8.644 -6.484 -6.306 1.00 0.00 C ATOM 1114 C MET A 69 7.723 -7.564 -6.876 1.00 0.00 C ATOM 1115 O MET A 69 7.776 -8.717 -6.451 1.00 0.00 O ATOM 1116 CB MET A 69 7.804 -5.420 -5.596 1.00 0.00 C ATOM 1117 CG MET A 69 8.247 -5.254 -4.140 1.00 0.00 C ATOM 1118 SD MET A 69 8.333 -3.521 -3.722 1.00 0.00 S ATOM 1119 CE MET A 69 6.800 -3.341 -2.826 1.00 0.00 C ATOM 0 H MET A 69 9.321 -4.848 -7.427 1.00 0.00 H new ATOM 0 HA MET A 69 9.328 -6.952 -5.598 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.898 -4.468 -6.119 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.751 -5.700 -5.630 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.546 -5.762 -3.478 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.221 -5.721 -3.992 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.702 -2.314 -2.475 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.964 -3.581 -3.483 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.796 -4.018 -1.972 1.00 0.00 H new ATOM 1129 N LYS A 70 6.901 -7.153 -7.830 1.00 0.00 N ATOM 1130 CA LYS A 70 5.970 -8.072 -8.462 1.00 0.00 C ATOM 1131 C LYS A 70 6.750 -9.081 -9.307 1.00 0.00 C ATOM 1132 O LYS A 70 6.448 -10.273 -9.293 1.00 0.00 O ATOM 1133 CB LYS A 70 4.908 -7.301 -9.250 1.00 0.00 C ATOM 1134 CG LYS A 70 5.375 -7.033 -10.682 1.00 0.00 C ATOM 1135 CD LYS A 70 5.322 -8.309 -11.525 1.00 0.00 C ATOM 1136 CE LYS A 70 4.479 -8.099 -12.784 1.00 0.00 C ATOM 1137 NZ LYS A 70 4.834 -9.098 -13.817 1.00 0.00 N ATOM 0 H LYS A 70 6.860 -6.196 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 70 5.425 -8.640 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.978 -7.870 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.694 -6.356 -8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.746 -6.267 -11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.393 -6.644 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.333 -8.606 -11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.902 -9.123 -10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.420 -8.182 -12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.638 -7.093 -13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.253 -8.942 -14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.840 -9.000 -14.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.659 -10.055 -13.449 1.00 0.00 H new ATOM 1151 N VAL A 71 7.739 -8.566 -10.023 1.00 0.00 N ATOM 1152 CA VAL A 71 8.565 -9.407 -10.873 1.00 0.00 C ATOM 1153 C VAL A 71 9.252 -10.471 -10.015 1.00 0.00 C ATOM 1154 O VAL A 71 9.519 -11.576 -10.485 1.00 0.00 O ATOM 1155 CB VAL A 71 9.552 -8.545 -11.661 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.319 -9.386 -12.684 1.00 0.00 C ATOM 1157 CG2 VAL A 71 8.838 -7.374 -12.340 1.00 0.00 C ATOM 0 H VAL A 71 7.987 -7.577 -10.032 1.00 0.00 H new ATOM 0 HA VAL A 71 7.951 -9.928 -11.608 1.00 0.00 H new ATOM 0 HB VAL A 71 10.274 -8.134 -10.956 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.014 -8.749 -13.231 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.874 -10.170 -12.168 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.616 -9.839 -13.383 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.563 -6.777 -12.893 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.083 -7.757 -13.027 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.358 -6.753 -11.584 1.00 0.00 H new ATOM 1167 N ILE A 72 9.521 -10.101 -8.771 1.00 0.00 N ATOM 1168 CA ILE A 72 10.172 -11.010 -7.844 1.00 0.00 C ATOM 1169 C ILE A 72 9.140 -11.994 -7.291 1.00 0.00 C ATOM 1170 O ILE A 72 9.369 -13.203 -7.287 1.00 0.00 O ATOM 1171 CB ILE A 72 10.917 -10.227 -6.761 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.202 -9.609 -7.316 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.186 -11.104 -5.536 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.364 -10.600 -7.241 1.00 0.00 C ATOM 0 H ILE A 72 9.300 -9.184 -8.384 1.00 0.00 H new ATOM 0 HA ILE A 72 10.931 -11.600 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 72 10.279 -9.405 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.046 -9.304 -8.351 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.450 -8.709 -6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.717 -10.523 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.239 -11.454 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.794 -11.960 -5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.265 -10.135 -7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.533 -10.884 -6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.123 -11.488 -7.825 1.00 0.00 H new ATOM 1186 N ASP A 73 8.025 -11.440 -6.836 1.00 0.00 N ATOM 1187 CA ASP A 73 6.957 -12.254 -6.282 1.00 0.00 C ATOM 1188 C ASP A 73 5.610 -11.731 -6.784 1.00 0.00 C ATOM 1189 O ASP A 73 5.263 -10.574 -6.549 1.00 0.00 O ATOM 1190 CB ASP A 73 6.950 -12.188 -4.754 1.00 0.00 C ATOM 1191 CG ASP A 73 7.970 -11.224 -4.144 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.866 -10.018 -4.453 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.830 -11.716 -3.381 1.00 0.00 O ATOM 0 H ASP A 73 7.839 -10.437 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 73 7.120 -13.284 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.953 -11.896 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.137 -13.187 -4.361 1.00 0.00 H new ATOM 1198 N GLU A 74 4.887 -12.607 -7.465 1.00 0.00 N ATOM 1199 CA GLU A 74 3.586 -12.248 -8.002 1.00 0.00 C ATOM 1200 C GLU A 74 2.515 -12.356 -6.914 1.00 0.00 C ATOM 1201 O GLU A 74 1.447 -11.756 -7.029 1.00 0.00 O ATOM 1202 CB GLU A 74 3.231 -13.118 -9.209 1.00 0.00 C ATOM 1203 CG GLU A 74 4.456 -13.352 -10.095 1.00 0.00 C ATOM 1204 CD GLU A 74 4.090 -13.241 -11.577 1.00 0.00 C ATOM 1205 OE1 GLU A 74 3.586 -14.250 -12.114 1.00 0.00 O ATOM 1206 OE2 GLU A 74 4.323 -12.149 -12.138 1.00 0.00 O ATOM 0 H GLU A 74 5.178 -13.566 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 74 3.628 -11.213 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.836 -14.075 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.444 -12.637 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.229 -12.623 -9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.873 -14.339 -9.892 1.00 0.00 H new ATOM 1213 N ASN A 75 2.838 -13.124 -5.885 1.00 0.00 N ATOM 1214 CA ASN A 75 1.917 -13.318 -4.778 1.00 0.00 C ATOM 1215 C ASN A 75 1.918 -12.068 -3.894 1.00 0.00 C ATOM 1216 O ASN A 75 1.015 -11.878 -3.081 1.00 0.00 O ATOM 1217 CB ASN A 75 2.337 -14.508 -3.913 1.00 0.00 C ATOM 1218 CG ASN A 75 3.854 -14.533 -3.715 1.00 0.00 C ATOM 1219 OD1 ASN A 75 4.495 -13.517 -3.500 1.00 0.00 O ATOM 1220 ND2 ASN A 75 4.391 -15.747 -3.798 1.00 0.00 N ATOM 0 H ASN A 75 3.725 -13.620 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 75 0.927 -13.506 -5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.841 -14.451 -2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.013 -15.436 -4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.397 -15.869 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.797 -16.556 -3.980 1.00 0.00 H new ATOM 1227 N ILE A 76 2.941 -11.249 -4.084 1.00 0.00 N ATOM 1228 CA ILE A 76 3.072 -10.023 -3.315 1.00 0.00 C ATOM 1229 C ILE A 76 1.845 -9.141 -3.558 1.00 0.00 C ATOM 1230 O ILE A 76 1.348 -9.058 -4.680 1.00 0.00 O ATOM 1231 CB ILE A 76 4.399 -9.331 -3.630 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.781 -8.347 -2.523 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.355 -8.659 -5.004 1.00 0.00 C ATOM 1234 CD1 ILE A 76 5.911 -7.421 -2.978 1.00 0.00 C ATOM 0 H ILE A 76 3.688 -11.410 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 76 3.101 -10.244 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 76 5.179 -10.091 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.911 -7.754 -2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.092 -8.897 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.311 -8.175 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.162 -9.410 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.560 -7.913 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.163 -6.732 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.788 -8.016 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.588 -6.855 -3.852 1.00 0.00 H new ATOM 1246 N ARG A 77 1.393 -8.504 -2.488 1.00 0.00 N ATOM 1247 CA ARG A 77 0.234 -7.631 -2.571 1.00 0.00 C ATOM 1248 C ARG A 77 0.607 -6.212 -2.137 1.00 0.00 C ATOM 1249 O ARG A 77 0.905 -5.974 -0.968 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.906 -8.144 -1.688 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.890 -7.020 -1.356 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.303 -7.571 -1.154 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.343 -8.432 0.048 1.00 0.00 N ATOM 1254 CZ ARG A 77 -4.310 -9.326 0.300 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -5.321 -9.481 -0.565 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -4.265 -10.064 1.418 1.00 0.00 N ATOM 0 H ARG A 77 1.808 -8.575 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.101 -7.621 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.430 -8.952 -2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.498 -8.560 -0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.565 -6.502 -0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.894 -6.285 -2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.011 -6.749 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.608 -8.142 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.588 -8.340 0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.355 -8.919 -1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.057 -10.161 -0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.495 -9.945 2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.000 -10.744 1.610 1.00 0.00 H new ATOM 1270 N VAL A 78 0.577 -5.306 -3.103 1.00 0.00 N ATOM 1271 CA VAL A 78 0.908 -3.916 -2.836 1.00 0.00 C ATOM 1272 C VAL A 78 -0.045 -3.010 -3.619 1.00 0.00 C ATOM 1273 O VAL A 78 -0.551 -3.397 -4.671 1.00 0.00 O ATOM 1274 CB VAL A 78 2.381 -3.657 -3.161 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.540 -3.096 -4.575 1.00 0.00 C ATOM 1276 CG2 VAL A 78 3.014 -2.725 -2.126 1.00 0.00 C ATOM 0 H VAL A 78 0.329 -5.507 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 78 0.777 -3.689 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 78 2.907 -4.611 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.596 -2.921 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.144 -3.810 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.994 -2.156 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.061 -2.557 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.484 -1.772 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.949 -3.181 -1.138 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.260 -1.821 -3.075 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.142 -0.857 -3.709 1.00 0.00 C ATOM 1288 C ILE A 79 -0.337 0.383 -4.104 1.00 0.00 C ATOM 1289 O ILE A 79 0.570 0.794 -3.382 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.339 -0.551 -2.806 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.498 -1.510 -3.088 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.762 0.914 -2.934 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -4.823 -0.929 -2.590 1.00 0.00 C ATOM 0 H ILE A 79 0.162 -1.504 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.561 -1.271 -4.626 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.036 -0.709 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.562 -1.705 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.310 -2.467 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.614 1.105 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.932 1.559 -2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.041 1.123 -3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.630 -1.630 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.764 -0.758 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.020 0.016 -3.097 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.698 0.944 -5.248 1.00 0.00 N ATOM 1306 CA ILE A 80 -0.020 2.128 -5.748 1.00 0.00 C ATOM 1307 C ILE A 80 -0.940 3.341 -5.590 1.00 0.00 C ATOM 1308 O ILE A 80 -2.161 3.199 -5.560 1.00 0.00 O ATOM 1309 CB ILE A 80 0.462 1.905 -7.182 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.677 2.113 -8.183 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.114 0.529 -7.334 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.993 3.600 -8.352 1.00 0.00 C ATOM 0 H ILE A 80 -1.452 0.601 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 80 0.878 2.329 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 80 1.226 2.650 -7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.402 1.684 -9.147 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.567 1.585 -7.841 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.448 0.396 -8.363 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.970 0.456 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.390 -0.246 -7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.806 3.720 -9.068 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.291 4.020 -7.391 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.108 4.121 -8.717 1.00 0.00 H new ATOM 1324 N MET A 81 -0.317 4.507 -5.493 1.00 0.00 N ATOM 1325 CA MET A 81 -1.064 5.743 -5.339 1.00 0.00 C ATOM 1326 C MET A 81 -0.456 6.861 -6.189 1.00 0.00 C ATOM 1327 O MET A 81 0.746 7.112 -6.123 1.00 0.00 O ATOM 1328 CB MET A 81 -1.061 6.162 -3.868 1.00 0.00 C ATOM 1329 CG MET A 81 -0.114 5.283 -3.049 1.00 0.00 C ATOM 1330 SD MET A 81 -0.097 5.821 -1.348 1.00 0.00 S ATOM 1331 CE MET A 81 1.631 5.591 -0.966 1.00 0.00 C ATOM 0 H MET A 81 0.696 4.621 -5.518 1.00 0.00 H new ATOM 0 HA MET A 81 -2.087 5.571 -5.675 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.758 7.206 -3.784 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.071 6.090 -3.464 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.431 4.242 -3.106 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.892 5.333 -3.465 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.827 5.932 0.050 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.885 4.534 -1.050 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.238 6.166 -1.665 1.00 0.00 H new ATOM 1341 N THR A 82 -1.315 7.502 -6.968 1.00 0.00 N ATOM 1342 CA THR A 82 -0.877 8.587 -7.830 1.00 0.00 C ATOM 1343 C THR A 82 -2.082 9.272 -8.479 1.00 0.00 C ATOM 1344 O THR A 82 -3.024 8.606 -8.904 1.00 0.00 O ATOM 1345 CB THR A 82 0.115 8.014 -8.845 1.00 0.00 C ATOM 1346 OG1 THR A 82 0.052 8.921 -9.942 1.00 0.00 O ATOM 1347 CG2 THR A 82 -0.354 6.682 -9.434 1.00 0.00 C ATOM 0 H THR A 82 -2.312 7.291 -7.020 1.00 0.00 H new ATOM 0 HA THR A 82 -0.368 9.364 -7.260 1.00 0.00 H new ATOM 0 HB THR A 82 1.085 7.878 -8.367 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.457 9.775 -9.684 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.386 6.319 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.474 5.952 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.308 6.824 -9.941 1.00 0.00 H new ATOM 1355 N ALA A 83 -2.012 10.594 -8.534 1.00 0.00 N ATOM 1356 CA ALA A 83 -3.085 11.376 -9.124 1.00 0.00 C ATOM 1357 C ALA A 83 -3.207 11.028 -10.609 1.00 0.00 C ATOM 1358 O ALA A 83 -2.262 10.523 -11.211 1.00 0.00 O ATOM 1359 CB ALA A 83 -2.817 12.865 -8.894 1.00 0.00 C ATOM 0 H ALA A 83 -1.229 11.143 -8.180 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.038 11.139 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.622 13.452 -9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.768 13.065 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.870 13.140 -9.358 1.00 0.00 H new ATOM 1365 N TYR A 84 -4.380 11.313 -11.155 1.00 0.00 N ATOM 1366 CA TYR A 84 -4.638 11.037 -12.558 1.00 0.00 C ATOM 1367 C TYR A 84 -3.788 11.934 -13.460 1.00 0.00 C ATOM 1368 O TYR A 84 -4.320 12.661 -14.297 1.00 0.00 O ATOM 1369 CB TYR A 84 -6.117 11.359 -12.786 1.00 0.00 C ATOM 1370 CG TYR A 84 -6.526 12.761 -12.329 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -6.935 12.970 -11.028 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -6.485 13.816 -13.218 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -7.320 14.290 -10.598 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -6.870 15.135 -12.788 1.00 0.00 C ATOM 1375 CZ TYR A 84 -7.268 15.307 -11.499 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.632 16.553 -11.093 1.00 0.00 O ATOM 0 H TYR A 84 -5.162 11.732 -10.652 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.393 10.002 -12.796 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.342 11.254 -13.847 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.724 10.624 -12.257 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.967 12.145 -10.332 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.164 13.652 -14.236 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.643 14.468 -9.583 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.843 15.969 -13.474 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.544 17.180 -11.841 1.00 0.00 H new ATOM 1386 N GLY A 85 -2.481 11.854 -13.257 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.552 12.650 -14.041 1.00 0.00 C ATOM 1388 C GLY A 85 -0.509 11.763 -14.722 1.00 0.00 C ATOM 1389 O GLY A 85 -0.127 12.012 -15.864 1.00 0.00 O ATOM 0 H GLY A 85 -2.044 11.250 -12.561 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.099 13.217 -14.794 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.054 13.374 -13.396 1.00 0.00 H new ATOM 1393 N GLU A 86 -0.077 10.745 -13.992 1.00 0.00 N ATOM 1394 CA GLU A 86 0.915 9.819 -14.511 1.00 0.00 C ATOM 1395 C GLU A 86 0.308 8.423 -14.666 1.00 0.00 C ATOM 1396 O GLU A 86 0.897 7.434 -14.231 1.00 0.00 O ATOM 1397 CB GLU A 86 2.153 9.782 -13.614 1.00 0.00 C ATOM 1398 CG GLU A 86 1.766 9.905 -12.139 1.00 0.00 C ATOM 1399 CD GLU A 86 2.909 9.445 -11.232 1.00 0.00 C ATOM 1400 OE1 GLU A 86 3.983 10.079 -11.306 1.00 0.00 O ATOM 1401 OE2 GLU A 86 2.682 8.468 -10.485 1.00 0.00 O ATOM 0 H GLU A 86 -0.396 10.541 -13.045 1.00 0.00 H new ATOM 0 HA GLU A 86 1.230 10.168 -15.494 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.695 8.850 -13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.827 10.594 -13.886 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.510 10.940 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.877 9.306 -11.941 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.863 8.386 -15.285 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.556 7.128 -15.502 1.00 0.00 C ATOM 1410 C LEU A 87 -0.554 6.075 -15.982 1.00 0.00 C ATOM 1411 O LEU A 87 -0.694 4.893 -15.671 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.741 7.325 -16.449 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.835 8.279 -15.965 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -4.406 9.093 -17.127 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.926 7.521 -15.205 1.00 0.00 C ATOM 0 H LEU A 87 -1.349 9.208 -15.643 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.982 6.762 -14.568 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.361 7.693 -17.402 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.194 6.352 -16.640 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.388 8.986 -15.266 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.181 9.763 -16.756 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.610 9.679 -17.587 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.834 8.418 -17.868 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.691 8.222 -14.872 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.377 6.777 -15.862 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.488 7.024 -14.340 1.00 0.00 H new ATOM 1427 N ASP A 88 0.434 6.542 -16.730 1.00 0.00 N ATOM 1428 CA ASP A 88 1.458 5.656 -17.256 1.00 0.00 C ATOM 1429 C ASP A 88 1.914 4.699 -16.152 1.00 0.00 C ATOM 1430 O ASP A 88 1.977 3.489 -16.361 1.00 0.00 O ATOM 1431 CB ASP A 88 2.679 6.445 -17.731 1.00 0.00 C ATOM 1432 CG ASP A 88 2.716 6.739 -19.232 1.00 0.00 C ATOM 1433 OD1 ASP A 88 1.685 7.230 -19.739 1.00 0.00 O ATOM 1434 OD2 ASP A 88 3.774 6.465 -19.838 1.00 0.00 O ATOM 0 H ASP A 88 0.547 7.523 -16.985 1.00 0.00 H new ATOM 0 HA ASP A 88 1.032 5.111 -18.098 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.715 7.391 -17.190 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.578 5.890 -17.463 1.00 0.00 H new ATOM 1439 N MET A 89 2.220 5.278 -15.000 1.00 0.00 N ATOM 1440 CA MET A 89 2.668 4.493 -13.863 1.00 0.00 C ATOM 1441 C MET A 89 1.564 3.550 -13.379 1.00 0.00 C ATOM 1442 O MET A 89 1.815 2.374 -13.123 1.00 0.00 O ATOM 1443 CB MET A 89 3.076 5.429 -12.724 1.00 0.00 C ATOM 1444 CG MET A 89 3.191 4.667 -11.402 1.00 0.00 C ATOM 1445 SD MET A 89 4.539 3.499 -11.487 1.00 0.00 S ATOM 1446 CE MET A 89 4.960 3.386 -9.756 1.00 0.00 C ATOM 0 H MET A 89 2.166 6.282 -14.830 1.00 0.00 H new ATOM 0 HA MET A 89 3.523 3.892 -14.174 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.030 5.901 -12.960 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.341 6.228 -12.624 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.356 5.367 -10.583 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.258 4.144 -11.192 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.342 2.388 -9.539 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.724 4.127 -9.518 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.072 3.574 -9.153 1.00 0.00 H new ATOM 1456 N ILE A 90 0.365 4.103 -13.268 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.778 3.327 -12.818 1.00 0.00 C ATOM 1458 C ILE A 90 -0.944 2.102 -13.721 1.00 0.00 C ATOM 1459 O ILE A 90 -0.907 0.968 -13.246 1.00 0.00 O ATOM 1460 CB ILE A 90 -2.027 4.207 -12.742 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -1.854 5.315 -11.700 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -3.277 3.364 -12.480 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -2.442 6.635 -12.202 1.00 0.00 C ATOM 0 H ILE A 90 0.160 5.079 -13.482 1.00 0.00 H new ATOM 0 HA ILE A 90 -0.613 2.959 -11.805 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.163 4.692 -13.709 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.344 5.025 -10.770 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.795 5.446 -11.475 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.151 4.014 -12.431 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.406 2.644 -13.288 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.166 2.833 -11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.306 7.406 -11.443 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.934 6.935 -13.119 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.506 6.507 -12.402 1.00 0.00 H new ATOM 1475 N GLN A 91 -1.123 2.373 -15.005 1.00 0.00 N ATOM 1476 CA GLN A 91 -1.294 1.307 -15.978 1.00 0.00 C ATOM 1477 C GLN A 91 -0.281 0.189 -15.724 1.00 0.00 C ATOM 1478 O GLN A 91 -0.646 -0.985 -15.676 1.00 0.00 O ATOM 1479 CB GLN A 91 -1.173 1.844 -17.406 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.553 2.116 -18.008 1.00 0.00 C ATOM 1481 CD GLN A 91 -2.856 1.142 -19.148 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -2.051 0.298 -19.508 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -4.058 1.304 -19.694 1.00 0.00 N ATOM 0 H GLN A 91 -1.153 3.315 -15.395 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.296 0.894 -15.864 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.586 2.762 -17.405 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.638 1.124 -18.025 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.315 2.024 -17.234 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.596 3.140 -18.379 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.683 2.030 -19.345 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.355 0.702 -20.462 1.00 0.00 H new ATOM 1492 N GLU A 92 0.971 0.593 -15.569 1.00 0.00 N ATOM 1493 CA GLU A 92 2.040 -0.360 -15.322 1.00 0.00 C ATOM 1494 C GLU A 92 1.800 -1.095 -14.001 1.00 0.00 C ATOM 1495 O GLU A 92 2.105 -2.281 -13.882 1.00 0.00 O ATOM 1496 CB GLU A 92 3.404 0.333 -15.324 1.00 0.00 C ATOM 1497 CG GLU A 92 4.371 -0.364 -16.284 1.00 0.00 C ATOM 1498 CD GLU A 92 4.782 0.572 -17.423 1.00 0.00 C ATOM 1499 OE1 GLU A 92 5.619 1.460 -17.153 1.00 0.00 O ATOM 1500 OE2 GLU A 92 4.250 0.378 -18.537 1.00 0.00 O ATOM 0 H GLU A 92 1.269 1.568 -15.610 1.00 0.00 H new ATOM 0 HA GLU A 92 2.041 -1.093 -16.129 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.285 1.377 -15.615 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.820 0.329 -14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.257 -0.691 -15.740 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.901 -1.258 -16.694 1.00 0.00 H new ATOM 1507 N SER A 93 1.257 -0.360 -13.042 1.00 0.00 N ATOM 1508 CA SER A 93 0.973 -0.927 -11.734 1.00 0.00 C ATOM 1509 C SER A 93 -0.046 -2.060 -11.866 1.00 0.00 C ATOM 1510 O SER A 93 0.107 -3.112 -11.247 1.00 0.00 O ATOM 1511 CB SER A 93 0.456 0.143 -10.771 1.00 0.00 C ATOM 1512 OG SER A 93 -0.966 0.141 -10.683 1.00 0.00 O ATOM 0 H SER A 93 1.006 0.623 -13.144 1.00 0.00 H new ATOM 0 HA SER A 93 1.901 -1.327 -11.325 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.881 -0.025 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.797 1.124 -11.102 1.00 0.00 H new ATOM 0 HG SER A 93 -1.347 0.441 -11.535 1.00 0.00 H new ATOM 1518 N LYS A 94 -1.064 -1.807 -12.675 1.00 0.00 N ATOM 1519 CA LYS A 94 -2.108 -2.793 -12.895 1.00 0.00 C ATOM 1520 C LYS A 94 -1.502 -4.033 -13.556 1.00 0.00 C ATOM 1521 O LYS A 94 -1.815 -5.160 -13.174 1.00 0.00 O ATOM 1522 CB LYS A 94 -3.266 -2.180 -13.685 1.00 0.00 C ATOM 1523 CG LYS A 94 -4.577 -2.277 -12.901 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.673 -2.930 -13.745 1.00 0.00 C ATOM 1525 CE LYS A 94 -7.019 -2.236 -13.527 1.00 0.00 C ATOM 1526 NZ LYS A 94 -7.906 -3.077 -12.693 1.00 0.00 N ATOM 0 H LYS A 94 -1.188 -0.933 -13.186 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.535 -3.114 -11.945 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.047 -1.135 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.371 -2.693 -14.641 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.419 -2.857 -11.992 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.895 -1.281 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.402 -2.882 -14.800 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.757 -3.985 -13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.863 -1.271 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.493 -2.039 -14.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.815 -2.592 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.069 -3.988 -13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.458 -3.244 -11.769 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.645 -3.783 -14.535 1.00 0.00 N ATOM 1541 CA GLU A 95 0.008 -4.865 -15.252 1.00 0.00 C ATOM 1542 C GLU A 95 1.135 -5.459 -14.405 1.00 0.00 C ATOM 1543 O GLU A 95 1.672 -6.517 -14.732 1.00 0.00 O ATOM 1544 CB GLU A 95 0.534 -4.387 -16.607 1.00 0.00 C ATOM 1545 CG GLU A 95 2.034 -4.092 -16.539 1.00 0.00 C ATOM 1546 CD GLU A 95 2.457 -3.144 -17.663 1.00 0.00 C ATOM 1547 OE1 GLU A 95 1.553 -2.487 -18.222 1.00 0.00 O ATOM 1548 OE2 GLU A 95 3.676 -3.099 -17.939 1.00 0.00 O ATOM 0 H GLU A 95 -0.388 -2.847 -14.848 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.729 -5.646 -15.441 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.343 -5.147 -17.364 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.003 -3.490 -16.914 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.278 -3.649 -15.573 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.595 -5.023 -16.613 1.00 0.00 H new ATOM 1555 N LEU A 96 1.461 -4.753 -13.332 1.00 0.00 N ATOM 1556 CA LEU A 96 2.515 -5.197 -12.436 1.00 0.00 C ATOM 1557 C LEU A 96 1.947 -6.231 -11.461 1.00 0.00 C ATOM 1558 O LEU A 96 2.698 -6.981 -10.840 1.00 0.00 O ATOM 1559 CB LEU A 96 3.173 -4.000 -11.748 1.00 0.00 C ATOM 1560 CG LEU A 96 4.607 -3.683 -12.178 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.662 -3.292 -13.656 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.226 -2.612 -11.278 1.00 0.00 C ATOM 0 H LEU A 96 1.014 -3.877 -13.063 1.00 0.00 H new ATOM 0 HA LEU A 96 3.310 -5.689 -12.997 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.557 -3.119 -11.929 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.168 -4.177 -10.672 1.00 0.00 H new ATOM 0 HG LEU A 96 5.206 -4.586 -12.061 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.692 -3.072 -13.936 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.289 -4.116 -14.264 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.044 -2.409 -13.822 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.245 -2.406 -11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.634 -1.699 -11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.241 -2.967 -10.248 1.00 0.00 H new ATOM 1574 N GLY A 97 0.626 -6.237 -11.358 1.00 0.00 N ATOM 1575 CA GLY A 97 -0.050 -7.166 -10.469 1.00 0.00 C ATOM 1576 C GLY A 97 -0.583 -6.448 -9.227 1.00 0.00 C ATOM 1577 O GLY A 97 -0.861 -7.083 -8.211 1.00 0.00 O ATOM 0 H GLY A 97 0.006 -5.614 -11.875 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.874 -7.646 -10.997 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.640 -7.955 -10.169 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.707 -5.135 -9.350 1.00 0.00 N ATOM 1582 CA ALA A 98 -1.201 -4.324 -8.250 1.00 0.00 C ATOM 1583 C ALA A 98 -2.706 -4.550 -8.091 1.00 0.00 C ATOM 1584 O ALA A 98 -3.433 -4.631 -9.080 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.855 -2.856 -8.503 1.00 0.00 C ATOM 0 H ALA A 98 -0.474 -4.612 -10.194 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.724 -4.615 -7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.225 -2.247 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.227 -2.745 -8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.319 -2.528 -9.433 1.00 0.00 H new ATOM 1591 N LEU A 99 -3.129 -4.644 -6.839 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.534 -4.859 -6.538 1.00 0.00 C ATOM 1593 C LEU A 99 -5.362 -3.734 -7.162 1.00 0.00 C ATOM 1594 O LEU A 99 -6.316 -3.993 -7.894 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.742 -5.012 -5.030 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.608 -5.695 -4.262 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -2.903 -6.734 -5.137 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.631 -4.664 -3.695 1.00 0.00 C ATOM 0 H LEU A 99 -2.523 -4.575 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.880 -5.793 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.899 -4.022 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.658 -5.579 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.040 -6.227 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.101 -7.205 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.620 -7.493 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.485 -6.245 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.835 -5.176 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.200 -4.084 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.160 -3.996 -3.015 1.00 0.00 H new ATOM 1610 N THR A 100 -4.968 -2.508 -6.849 1.00 0.00 N ATOM 1611 CA THR A 100 -5.662 -1.343 -7.370 1.00 0.00 C ATOM 1612 C THR A 100 -4.737 -0.124 -7.363 1.00 0.00 C ATOM 1613 O THR A 100 -3.616 -0.194 -6.862 1.00 0.00 O ATOM 1614 CB THR A 100 -6.936 -1.144 -6.546 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.345 0.186 -6.855 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.660 -1.108 -5.041 1.00 0.00 C ATOM 0 H THR A 100 -4.177 -2.297 -6.241 1.00 0.00 H new ATOM 0 HA THR A 100 -5.950 -1.487 -8.411 1.00 0.00 H new ATOM 0 HB THR A 100 -7.640 -1.946 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.469 0.691 -6.025 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.597 -0.965 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.204 -2.049 -4.732 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.982 -0.285 -4.815 1.00 0.00 H new ATOM 1624 N HIS A 101 -5.241 0.964 -7.926 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.474 2.196 -7.992 1.00 0.00 C ATOM 1626 C HIS A 101 -5.347 3.369 -7.538 1.00 0.00 C ATOM 1627 O HIS A 101 -6.406 3.616 -8.111 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.890 2.399 -9.391 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.890 2.214 -10.507 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -4.851 1.140 -11.379 1.00 0.00 N ATOM 1631 CD2 HIS A 101 -5.957 2.976 -10.883 1.00 0.00 C ATOM 1632 CE1 HIS A 101 -5.853 1.261 -12.237 1.00 0.00 C ATOM 1633 NE2 HIS A 101 -6.537 2.400 -11.929 1.00 0.00 N ATOM 0 H HIS A 101 -6.171 1.018 -8.341 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.624 2.136 -7.312 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.470 3.403 -9.456 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.067 1.699 -9.535 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.276 3.893 -10.410 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.087 0.577 -13.040 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.359 2.751 -12.421 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.868 4.059 -6.514 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.591 5.199 -5.977 1.00 0.00 C ATOM 1643 C PHE A 102 -4.919 6.514 -6.380 1.00 0.00 C ATOM 1644 O PHE A 102 -3.728 6.538 -6.685 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.560 5.071 -4.452 1.00 0.00 C ATOM 1646 CG PHE A 102 -6.167 3.769 -3.925 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -7.230 3.208 -4.560 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.642 3.173 -2.821 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.793 2.000 -4.070 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.205 1.965 -2.331 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.268 1.404 -2.966 1.00 0.00 C ATOM 0 H PHE A 102 -3.988 3.851 -6.042 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.610 5.209 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.527 5.142 -4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.097 5.913 -4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.646 3.681 -5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.797 3.618 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.638 1.555 -4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.789 1.492 -1.454 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.696 0.485 -2.594 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.713 7.575 -6.367 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.210 8.889 -6.728 1.00 0.00 C ATOM 1663 C ALA A 103 -5.204 9.786 -5.488 1.00 0.00 C ATOM 1664 O ALA A 103 -6.066 9.657 -4.620 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.060 9.468 -7.862 1.00 0.00 C ATOM 0 H ALA A 103 -6.700 7.551 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.185 8.821 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.682 10.454 -8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.008 8.809 -8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.096 9.554 -7.533 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.223 10.675 -5.445 1.00 0.00 N ATOM 1672 CA LYS A 104 -4.093 11.593 -4.326 1.00 0.00 C ATOM 1673 C LYS A 104 -5.467 11.809 -3.687 1.00 0.00 C ATOM 1674 O LYS A 104 -5.672 11.476 -2.521 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.412 12.888 -4.772 1.00 0.00 C ATOM 1676 CG LYS A 104 -2.003 12.997 -4.185 1.00 0.00 C ATOM 1677 CD LYS A 104 -1.297 14.259 -4.684 1.00 0.00 C ATOM 1678 CE LYS A 104 0.203 14.014 -4.863 1.00 0.00 C ATOM 1679 NZ LYS A 104 0.953 14.514 -3.689 1.00 0.00 N ATOM 0 H LYS A 104 -3.510 10.779 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.447 11.168 -3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.360 12.919 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.008 13.744 -4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.059 13.014 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.421 12.117 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.733 14.573 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.454 15.072 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.390 12.948 -4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.554 14.513 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.969 14.340 -3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.788 15.535 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.630 14.019 -2.834 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.396 12.378 -4.501 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.744 12.642 -4.027 1.00 0.00 C ATOM 1695 C PRO A 105 -8.559 11.349 -3.944 1.00 0.00 C ATOM 1696 O PRO A 105 -9.162 10.927 -4.929 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.319 13.643 -5.015 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.448 13.550 -6.257 1.00 0.00 C ATOM 1699 CD PRO A 105 -6.189 12.784 -5.888 1.00 0.00 C ATOM 0 HA PRO A 105 -7.762 13.046 -3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.358 13.409 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.304 14.652 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.982 13.042 -7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.196 14.546 -6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.047 11.920 -6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.301 13.408 -5.990 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.550 10.758 -2.758 1.00 0.00 N ATOM 1708 CA PHE A 106 -9.281 9.522 -2.533 1.00 0.00 C ATOM 1709 C PHE A 106 -10.200 9.642 -1.316 1.00 0.00 C ATOM 1710 O PHE A 106 -9.948 10.447 -0.420 1.00 0.00 O ATOM 1711 CB PHE A 106 -8.242 8.430 -2.267 1.00 0.00 C ATOM 1712 CG PHE A 106 -6.924 8.952 -1.691 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -6.929 9.716 -0.566 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -5.748 8.652 -2.304 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -5.706 10.201 -0.031 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -4.525 9.137 -1.770 1.00 0.00 C ATOM 1717 CZ PHE A 106 -4.530 9.901 -0.644 1.00 0.00 C ATOM 0 H PHE A 106 -8.049 11.112 -1.943 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.900 9.293 -3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.665 7.701 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.036 7.904 -3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.863 9.954 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.744 8.045 -3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.710 10.808 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.591 8.900 -2.257 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.600 10.269 -0.237 1.00 0.00 H new ATOM 1727 N ASP A 107 -11.246 8.830 -1.322 1.00 0.00 N ATOM 1728 CA ASP A 107 -12.204 8.835 -0.229 1.00 0.00 C ATOM 1729 C ASP A 107 -12.132 7.499 0.512 1.00 0.00 C ATOM 1730 O ASP A 107 -11.904 6.457 -0.100 1.00 0.00 O ATOM 1731 CB ASP A 107 -13.632 9.011 -0.750 1.00 0.00 C ATOM 1732 CG ASP A 107 -14.463 10.065 -0.015 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -13.844 10.867 0.717 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -15.699 10.044 -0.201 1.00 0.00 O ATOM 0 H ASP A 107 -11.452 8.164 -2.066 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.957 9.665 0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.587 9.277 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -14.147 8.053 -0.684 1.00 0.00 H new ATOM 1739 N ILE A 108 -12.331 7.573 1.820 1.00 0.00 N ATOM 1740 CA ILE A 108 -12.292 6.383 2.652 1.00 0.00 C ATOM 1741 C ILE A 108 -13.460 5.467 2.280 1.00 0.00 C ATOM 1742 O ILE A 108 -13.319 4.245 2.276 1.00 0.00 O ATOM 1743 CB ILE A 108 -12.258 6.765 4.133 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -10.822 6.997 4.607 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -12.981 5.720 4.986 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -10.011 7.749 3.550 1.00 0.00 C ATOM 0 H ILE A 108 -12.520 8.439 2.324 1.00 0.00 H new ATOM 0 HA ILE A 108 -11.376 5.822 2.470 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.793 7.707 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.830 7.565 5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.347 6.040 4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.942 6.016 6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.021 5.647 4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.496 4.752 4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.994 7.901 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.985 7.167 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.475 8.716 3.355 1.00 0.00 H new ATOM 1758 N ASP A 109 -14.587 6.093 1.976 1.00 0.00 N ATOM 1759 CA ASP A 109 -15.779 5.350 1.603 1.00 0.00 C ATOM 1760 C ASP A 109 -15.496 4.545 0.332 1.00 0.00 C ATOM 1761 O ASP A 109 -15.829 3.364 0.255 1.00 0.00 O ATOM 1762 CB ASP A 109 -16.949 6.293 1.315 1.00 0.00 C ATOM 1763 CG ASP A 109 -18.317 5.615 1.216 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -18.601 4.780 2.102 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -19.047 5.948 0.258 1.00 0.00 O ATOM 0 H ASP A 109 -14.700 7.107 1.980 1.00 0.00 H new ATOM 0 HA ASP A 109 -16.041 4.694 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -16.990 7.047 2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -16.752 6.817 0.380 1.00 0.00 H new ATOM 1770 N GLU A 110 -14.885 5.218 -0.632 1.00 0.00 N ATOM 1771 CA GLU A 110 -14.554 4.580 -1.895 1.00 0.00 C ATOM 1772 C GLU A 110 -13.421 3.572 -1.699 1.00 0.00 C ATOM 1773 O GLU A 110 -13.313 2.601 -2.447 1.00 0.00 O ATOM 1774 CB GLU A 110 -14.186 5.621 -2.954 1.00 0.00 C ATOM 1775 CG GLU A 110 -12.833 6.264 -2.644 1.00 0.00 C ATOM 1776 CD GLU A 110 -12.193 6.835 -3.911 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -12.780 7.792 -4.461 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -11.132 6.302 -4.301 1.00 0.00 O ATOM 0 H GLU A 110 -14.611 6.198 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.433 4.043 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -14.152 5.149 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -14.957 6.390 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.964 7.058 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.168 5.524 -2.199 1.00 0.00 H new ATOM 1785 N ILE A 111 -12.604 3.836 -0.690 1.00 0.00 N ATOM 1786 CA ILE A 111 -11.482 2.964 -0.387 1.00 0.00 C ATOM 1787 C ILE A 111 -12.006 1.658 0.215 1.00 0.00 C ATOM 1788 O ILE A 111 -11.316 0.639 0.191 1.00 0.00 O ATOM 1789 CB ILE A 111 -10.466 3.686 0.500 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -9.502 4.524 -0.341 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -9.727 2.697 1.404 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -8.241 4.872 0.453 1.00 0.00 C ATOM 0 H ILE A 111 -12.697 4.642 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 111 -10.945 2.703 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 111 -11.007 4.374 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.229 3.975 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -9.997 5.440 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -9.011 3.236 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.444 2.182 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.199 1.968 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.573 5.468 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.516 5.442 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.735 3.954 0.753 1.00 0.00 H new ATOM 1804 N ARG A 112 -13.220 1.731 0.740 1.00 0.00 N ATOM 1805 CA ARG A 112 -13.843 0.567 1.347 1.00 0.00 C ATOM 1806 C ARG A 112 -14.142 -0.491 0.282 1.00 0.00 C ATOM 1807 O ARG A 112 -14.249 -1.676 0.593 1.00 0.00 O ATOM 1808 CB ARG A 112 -15.144 0.947 2.057 1.00 0.00 C ATOM 1809 CG ARG A 112 -14.891 1.998 3.140 1.00 0.00 C ATOM 1810 CD ARG A 112 -15.814 1.781 4.341 1.00 0.00 C ATOM 1811 NE ARG A 112 -16.631 2.993 4.576 1.00 0.00 N ATOM 1812 CZ ARG A 112 -16.236 4.031 5.325 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -15.033 4.012 5.916 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -17.043 5.089 5.483 1.00 0.00 N ATOM 0 H ARG A 112 -13.789 2.578 0.758 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.146 0.162 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -15.859 1.333 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.591 0.059 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.851 1.950 3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -15.051 2.995 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -16.463 0.924 4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -15.223 1.553 5.228 1.00 0.00 H new ATOM 0 HE ARG A 112 -17.552 3.041 4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.418 3.207 5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.732 4.802 6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.958 5.104 5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.742 5.879 6.053 1.00 0.00 H new ATOM 1828 N ASP A 113 -14.268 -0.024 -0.951 1.00 0.00 N ATOM 1829 CA ASP A 113 -14.552 -0.915 -2.063 1.00 0.00 C ATOM 1830 C ASP A 113 -13.267 -1.638 -2.473 1.00 0.00 C ATOM 1831 O ASP A 113 -13.221 -2.867 -2.493 1.00 0.00 O ATOM 1832 CB ASP A 113 -15.064 -0.136 -3.276 1.00 0.00 C ATOM 1833 CG ASP A 113 -16.412 -0.608 -3.825 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -16.407 -1.635 -4.538 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -17.418 0.070 -3.520 1.00 0.00 O ATOM 0 H ASP A 113 -14.179 0.960 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.315 -1.623 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.148 0.916 -3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.321 -0.202 -4.071 1.00 0.00 H new ATOM 1840 N ALA A 114 -12.255 -0.844 -2.790 1.00 0.00 N ATOM 1841 CA ALA A 114 -10.973 -1.392 -3.198 1.00 0.00 C ATOM 1842 C ALA A 114 -10.444 -2.314 -2.098 1.00 0.00 C ATOM 1843 O ALA A 114 -9.758 -3.295 -2.382 1.00 0.00 O ATOM 1844 CB ALA A 114 -10.007 -0.249 -3.516 1.00 0.00 C ATOM 0 H ALA A 114 -12.297 0.175 -2.772 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.081 -1.988 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.045 -0.660 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.415 0.359 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.871 0.370 -2.629 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.782 -1.966 -0.865 1.00 0.00 N ATOM 1851 CA VAL A 115 -10.350 -2.750 0.279 1.00 0.00 C ATOM 1852 C VAL A 115 -10.816 -4.197 0.106 1.00 0.00 C ATOM 1853 O VAL A 115 -10.090 -5.132 0.443 1.00 0.00 O ATOM 1854 CB VAL A 115 -10.855 -2.110 1.574 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -10.979 -3.151 2.688 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -9.951 -0.952 2.002 1.00 0.00 C ATOM 0 H VAL A 115 -11.350 -1.151 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.262 -2.764 0.342 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.849 -1.705 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -11.340 -2.670 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.682 -3.927 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -10.004 -3.599 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.332 -0.515 2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -8.939 -1.322 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.937 -0.193 1.220 1.00 0.00 H new