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 : amide:sc= -1.97 K(o=-3,f=-6!) USER MOD Set 1.2: A 38 GLN : amide:sc= -1.01 K(o=-3,f=-4.8!) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.983 K(o=-0.63,f=-2.5) USER MOD Set 2.2: A 28 TYR OH : rot 36:sc= -1.61! USER MOD Set 2.3: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= -0.39 (180deg=-1.64!) USER MOD Single : A 12 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.012) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 32 GLN : amide:sc= -1.69 X(o=-1.7,f=-1.4) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 153:sc= -17.5! (180deg=-22.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -116:sc= -1.66 (180deg=-4.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -145:sc= -0.0413 (180deg=-1.74!) USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= 0.83 (180deg=-0.0423!) USER MOD Single : A 75 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.6!) USER MOD Single : A 81 MET CE :methyl 178:sc= -17.3! (180deg=-17.6!) USER MOD Single : A 82 THR OG1 : rot 110:sc= -0.199 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 164:sc= -5.77! (180deg=-6.52!) USER MOD Single : A 91 GLN : amide:sc= -0.285 K(o=-0.28,f=-2.3!) USER MOD Single : A 93 SER OG : rot -59:sc= -0.525 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.15! USER MOD Single : A 101 HIS : no HD1:sc= -6.01! C(o=-6!,f=-7.7!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -4.904 -9.338 11.345 1.00 0.00 N ATOM 50 CA GLU A 4 -4.762 -8.425 10.224 1.00 0.00 C ATOM 51 C GLU A 4 -3.483 -7.598 10.372 1.00 0.00 C ATOM 52 O GLU A 4 -3.051 -7.310 11.487 1.00 0.00 O ATOM 53 CB GLU A 4 -5.988 -7.519 10.096 1.00 0.00 C ATOM 54 CG GLU A 4 -6.035 -6.852 8.719 1.00 0.00 C ATOM 55 CD GLU A 4 -7.477 -6.545 8.308 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.037 -5.583 8.875 1.00 0.00 O ATOM 57 OE2 GLU A 4 -7.987 -7.281 7.435 1.00 0.00 O ATOM 0 HA GLU A 4 -4.688 -9.013 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.895 -8.104 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.963 -6.755 10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.454 -5.930 8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.573 -7.505 7.979 1.00 0.00 H new ATOM 64 N LYS A 5 -2.912 -7.241 9.231 1.00 0.00 N ATOM 65 CA LYS A 5 -1.691 -6.453 9.220 1.00 0.00 C ATOM 66 C LYS A 5 -1.688 -5.542 7.991 1.00 0.00 C ATOM 67 O LYS A 5 -2.412 -5.790 7.028 1.00 0.00 O ATOM 68 CB LYS A 5 -0.465 -7.364 9.313 1.00 0.00 C ATOM 69 CG LYS A 5 -0.234 -7.828 10.753 1.00 0.00 C ATOM 70 CD LYS A 5 -0.525 -9.323 10.900 1.00 0.00 C ATOM 71 CE LYS A 5 0.746 -10.151 10.698 1.00 0.00 C ATOM 72 NZ LYS A 5 1.007 -10.997 11.883 1.00 0.00 N ATOM 0 H LYS A 5 -3.272 -7.483 8.308 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.647 -5.807 10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.601 -8.230 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.416 -6.832 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.796 -7.624 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.874 -7.261 11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.939 -9.521 11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.279 -9.624 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.642 -10.778 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.594 -9.489 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.031 -11.144 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.638 -10.526 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.536 -11.916 11.764 1.00 0.00 H new ATOM 86 N ILE A 6 -0.865 -4.506 8.064 1.00 0.00 N ATOM 87 CA ILE A 6 -0.758 -3.557 6.969 1.00 0.00 C ATOM 88 C ILE A 6 0.499 -2.706 7.158 1.00 0.00 C ATOM 89 O ILE A 6 0.953 -2.505 8.283 1.00 0.00 O ATOM 90 CB ILE A 6 -2.043 -2.735 6.845 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.968 -3.322 5.777 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.729 -1.261 6.584 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.359 -3.603 6.350 1.00 0.00 C ATOM 0 H ILE A 6 -0.266 -4.303 8.864 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.649 -4.082 6.020 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.574 -2.787 7.795 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.049 -2.628 4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.539 -4.245 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.660 -0.700 6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.139 -0.863 7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.165 -1.168 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.996 -4.020 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.277 -4.315 7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.795 -2.674 6.718 1.00 0.00 H new ATOM 105 N LEU A 7 1.026 -2.230 6.039 1.00 0.00 N ATOM 106 CA LEU A 7 2.223 -1.406 6.068 1.00 0.00 C ATOM 107 C LEU A 7 2.006 -0.170 5.192 1.00 0.00 C ATOM 108 O LEU A 7 1.343 -0.245 4.159 1.00 0.00 O ATOM 109 CB LEU A 7 3.450 -2.230 5.675 1.00 0.00 C ATOM 110 CG LEU A 7 4.650 -2.138 6.620 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.731 -3.370 7.524 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.947 -1.914 5.840 1.00 0.00 C ATOM 0 H LEU A 7 0.646 -2.399 5.107 1.00 0.00 H new ATOM 0 HA LEU A 7 2.417 -1.051 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.152 -3.276 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.770 -1.917 4.681 1.00 0.00 H new ATOM 0 HG LEU A 7 4.510 -1.272 7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.592 -3.280 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.822 -3.444 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.837 -4.265 6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.784 -1.852 6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.107 -2.745 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.876 -0.985 5.275 1.00 0.00 H new ATOM 124 N ILE A 8 2.578 0.939 5.638 1.00 0.00 N ATOM 125 CA ILE A 8 2.456 2.190 4.908 1.00 0.00 C ATOM 126 C ILE A 8 3.843 2.648 4.454 1.00 0.00 C ATOM 127 O ILE A 8 4.783 2.673 5.248 1.00 0.00 O ATOM 128 CB ILE A 8 1.708 3.229 5.746 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.248 2.821 5.950 1.00 0.00 C ATOM 130 CG2 ILE A 8 1.834 4.624 5.130 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.305 3.395 7.256 1.00 0.00 C ATOM 0 H ILE A 8 3.127 0.997 6.496 1.00 0.00 H new ATOM 0 HA ILE A 8 1.857 2.049 4.009 1.00 0.00 H new ATOM 0 HB ILE A 8 2.171 3.270 6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.352 3.173 5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.169 1.734 5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.293 5.343 5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.886 4.906 5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.413 4.617 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.344 3.090 7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.282 3.022 8.095 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.247 4.483 7.228 1.00 0.00 H new ATOM 143 N VAL A 9 3.928 3.000 3.180 1.00 0.00 N ATOM 144 CA VAL A 9 5.184 3.456 2.611 1.00 0.00 C ATOM 145 C VAL A 9 4.946 4.752 1.832 1.00 0.00 C ATOM 146 O VAL A 9 4.009 4.841 1.041 1.00 0.00 O ATOM 147 CB VAL A 9 5.804 2.350 1.756 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.226 2.718 1.328 1.00 0.00 C ATOM 149 CG2 VAL A 9 5.783 1.010 2.494 1.00 0.00 C ATOM 0 H VAL A 9 3.146 2.979 2.525 1.00 0.00 H new ATOM 0 HA VAL A 9 5.902 3.678 3.400 1.00 0.00 H new ATOM 0 HB VAL A 9 5.200 2.246 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.643 1.914 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.204 3.639 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.846 2.864 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.230 0.241 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.351 1.096 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.753 0.738 2.724 1.00 0.00 H new ATOM 159 N ASP A 10 5.811 5.723 2.084 1.00 0.00 N ATOM 160 CA ASP A 10 5.707 7.010 1.416 1.00 0.00 C ATOM 161 C ASP A 10 4.257 7.494 1.476 1.00 0.00 C ATOM 162 O ASP A 10 3.406 6.844 2.081 1.00 0.00 O ATOM 163 CB ASP A 10 6.108 6.900 -0.056 1.00 0.00 C ATOM 164 CG ASP A 10 7.614 6.810 -0.311 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.130 5.672 -0.266 1.00 0.00 O ATOM 166 OD2 ASP A 10 8.215 7.881 -0.545 1.00 0.00 O ATOM 0 H ASP A 10 6.587 5.645 2.741 1.00 0.00 H new ATOM 0 HA ASP A 10 6.375 7.708 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.629 6.019 -0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.715 7.766 -0.590 1.00 0.00 H new ATOM 171 N ASP A 11 4.020 8.633 0.841 1.00 0.00 N ATOM 172 CA ASP A 11 2.688 9.212 0.815 1.00 0.00 C ATOM 173 C ASP A 11 2.252 9.544 2.243 1.00 0.00 C ATOM 174 O ASP A 11 1.086 9.852 2.485 1.00 0.00 O ATOM 175 CB ASP A 11 1.672 8.231 0.226 1.00 0.00 C ATOM 176 CG ASP A 11 0.473 8.880 -0.467 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.452 9.292 0.266 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.508 8.949 -1.715 1.00 0.00 O ATOM 0 H ASP A 11 4.728 9.170 0.341 1.00 0.00 H new ATOM 0 HA ASP A 11 2.723 10.109 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.183 7.589 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.306 7.587 1.026 1.00 0.00 H new ATOM 183 N GLN A 12 3.213 9.470 3.153 1.00 0.00 N ATOM 184 CA GLN A 12 2.943 9.759 4.551 1.00 0.00 C ATOM 185 C GLN A 12 2.946 11.270 4.791 1.00 0.00 C ATOM 186 O GLN A 12 3.991 11.913 4.706 1.00 0.00 O ATOM 187 CB GLN A 12 3.953 9.057 5.461 1.00 0.00 C ATOM 188 CG GLN A 12 5.371 9.170 4.896 1.00 0.00 C ATOM 189 CD GLN A 12 6.404 9.251 6.021 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.283 8.416 6.154 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.250 10.302 6.822 1.00 0.00 N ATOM 0 H GLN A 12 4.179 9.214 2.949 1.00 0.00 H new ATOM 0 HA GLN A 12 1.953 9.374 4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.918 9.498 6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.683 8.006 5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.584 8.308 4.263 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.445 10.055 4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.492 10.964 6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.890 10.446 7.603 1.00 0.00 H new ATOM 200 N TYR A 13 1.765 11.792 5.088 1.00 0.00 N ATOM 201 CA TYR A 13 1.619 13.215 5.341 1.00 0.00 C ATOM 202 C TYR A 13 0.393 13.493 6.214 1.00 0.00 C ATOM 203 O TYR A 13 -0.187 14.576 6.149 1.00 0.00 O ATOM 204 CB TYR A 13 1.414 13.868 3.973 1.00 0.00 C ATOM 205 CG TYR A 13 2.337 15.059 3.707 1.00 0.00 C ATOM 206 CD1 TYR A 13 2.148 16.244 4.389 1.00 0.00 C ATOM 207 CD2 TYR A 13 3.359 14.948 2.786 1.00 0.00 C ATOM 208 CE1 TYR A 13 3.017 17.365 4.139 1.00 0.00 C ATOM 209 CE2 TYR A 13 4.228 16.069 2.536 1.00 0.00 C ATOM 210 CZ TYR A 13 4.014 17.222 3.224 1.00 0.00 C ATOM 211 OH TYR A 13 4.835 18.280 2.988 1.00 0.00 O ATOM 0 H TYR A 13 0.901 11.255 5.159 1.00 0.00 H new ATOM 0 HA TYR A 13 2.493 13.604 5.863 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.572 13.119 3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.379 14.199 3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.349 16.331 5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.507 14.021 2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.880 18.298 4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.032 15.995 1.818 1.00 0.00 H new ATOM 0 HH TYR A 13 5.501 18.033 2.312 1.00 0.00 H new ATOM 221 N GLY A 14 0.036 12.497 7.011 1.00 0.00 N ATOM 222 CA GLY A 14 -1.110 12.621 7.896 1.00 0.00 C ATOM 223 C GLY A 14 -2.285 11.781 7.392 1.00 0.00 C ATOM 224 O GLY A 14 -3.359 11.786 7.992 1.00 0.00 O ATOM 0 H GLY A 14 0.520 11.601 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.834 12.301 8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.409 13.667 7.965 1.00 0.00 H new ATOM 228 N ILE A 15 -2.042 11.079 6.295 1.00 0.00 N ATOM 229 CA ILE A 15 -3.067 10.236 5.703 1.00 0.00 C ATOM 230 C ILE A 15 -2.969 8.829 6.297 1.00 0.00 C ATOM 231 O ILE A 15 -3.985 8.215 6.618 1.00 0.00 O ATOM 232 CB ILE A 15 -2.971 10.267 4.177 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.599 11.544 3.614 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.586 9.007 3.563 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.529 12.598 3.323 1.00 0.00 C ATOM 0 H ILE A 15 -1.150 11.077 5.800 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.060 10.616 5.944 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.917 10.278 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.145 11.313 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.323 11.942 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.505 9.054 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.055 8.128 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.637 8.940 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.001 13.496 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.001 12.845 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.821 12.206 2.593 1.00 0.00 H new ATOM 247 N ARG A 16 -1.737 8.360 6.425 1.00 0.00 N ATOM 248 CA ARG A 16 -1.493 7.037 6.974 1.00 0.00 C ATOM 249 C ARG A 16 -2.274 6.851 8.277 1.00 0.00 C ATOM 250 O ARG A 16 -2.988 5.862 8.441 1.00 0.00 O ATOM 251 CB ARG A 16 -0.003 6.819 7.246 1.00 0.00 C ATOM 252 CG ARG A 16 0.540 7.879 8.206 1.00 0.00 C ATOM 253 CD ARG A 16 2.060 8.004 8.084 1.00 0.00 C ATOM 254 NE ARG A 16 2.629 8.523 9.348 1.00 0.00 N ATOM 255 CZ ARG A 16 2.790 7.788 10.457 1.00 0.00 C ATOM 256 NH1 ARG A 16 2.425 6.498 10.464 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.314 8.342 11.558 1.00 0.00 N ATOM 0 H ARG A 16 -0.897 8.873 6.158 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.827 6.306 6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.152 5.827 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.551 6.855 6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.074 8.841 7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.274 7.617 9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.495 7.032 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.313 8.672 7.261 1.00 0.00 H new ATOM 0 HE ARG A 16 2.917 9.501 9.377 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.025 6.077 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.547 5.938 11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.591 9.324 11.553 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.436 7.782 12.402 1.00 0.00 H new ATOM 271 N ILE A 17 -2.113 7.816 9.169 1.00 0.00 N ATOM 272 CA ILE A 17 -2.794 7.771 10.452 1.00 0.00 C ATOM 273 C ILE A 17 -4.298 7.609 10.220 1.00 0.00 C ATOM 274 O ILE A 17 -4.919 6.700 10.769 1.00 0.00 O ATOM 275 CB ILE A 17 -2.430 8.995 11.295 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.922 9.061 11.544 1.00 0.00 C ATOM 277 CG2 ILE A 17 -3.228 9.018 12.600 1.00 0.00 C ATOM 278 CD1 ILE A 17 -0.512 10.441 12.061 1.00 0.00 C ATOM 0 H ILE A 17 -1.521 8.635 9.029 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.465 6.907 11.028 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.703 9.889 10.735 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.635 8.298 12.267 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.387 8.841 10.620 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.951 9.898 13.181 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.294 9.054 12.374 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.009 8.119 13.176 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.565 10.461 12.230 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.778 11.199 11.325 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.030 10.647 12.998 1.00 0.00 H new ATOM 290 N LEU A 18 -4.839 8.504 9.407 1.00 0.00 N ATOM 291 CA LEU A 18 -6.258 8.471 9.096 1.00 0.00 C ATOM 292 C LEU A 18 -6.691 7.022 8.864 1.00 0.00 C ATOM 293 O LEU A 18 -7.565 6.512 9.564 1.00 0.00 O ATOM 294 CB LEU A 18 -6.571 9.402 7.923 1.00 0.00 C ATOM 295 CG LEU A 18 -8.016 9.895 7.826 1.00 0.00 C ATOM 296 CD1 LEU A 18 -8.194 11.224 8.564 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.467 9.985 6.366 1.00 0.00 C ATOM 0 H LEU A 18 -4.320 9.257 8.954 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.841 8.848 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.915 10.270 7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.322 8.884 6.997 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.659 9.166 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.230 11.551 8.479 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.940 11.093 9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.539 11.975 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.497 10.338 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.823 10.681 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.402 9.000 5.904 1.00 0.00 H new ATOM 309 N LEU A 19 -6.061 6.401 7.878 1.00 0.00 N ATOM 310 CA LEU A 19 -6.371 5.021 7.545 1.00 0.00 C ATOM 311 C LEU A 19 -5.866 4.105 8.661 1.00 0.00 C ATOM 312 O LEU A 19 -6.349 2.984 8.816 1.00 0.00 O ATOM 313 CB LEU A 19 -5.819 4.667 6.162 1.00 0.00 C ATOM 314 CG LEU A 19 -4.298 4.738 6.009 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.620 3.567 6.723 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.899 4.818 4.534 1.00 0.00 C ATOM 0 H LEU A 19 -5.338 6.828 7.299 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.450 4.878 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.143 3.657 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.270 5.337 5.430 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.949 5.653 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.540 3.641 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.866 3.596 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.971 2.628 6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.813 4.868 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.262 3.934 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.337 5.710 4.086 1.00 0.00 H new ATOM 328 N ASN A 20 -4.900 4.616 9.411 1.00 0.00 N ATOM 329 CA ASN A 20 -4.324 3.858 10.509 1.00 0.00 C ATOM 330 C ASN A 20 -5.387 3.645 11.588 1.00 0.00 C ATOM 331 O ASN A 20 -5.774 2.512 11.869 1.00 0.00 O ATOM 332 CB ASN A 20 -3.152 4.610 11.142 1.00 0.00 C ATOM 333 CG ASN A 20 -2.313 3.679 12.019 1.00 0.00 C ATOM 334 OD1 ASN A 20 -2.524 2.479 12.074 1.00 0.00 O ATOM 335 ND2 ASN A 20 -1.352 4.297 12.700 1.00 0.00 N ATOM 0 H ASN A 20 -4.502 5.546 9.280 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.970 2.906 10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.526 5.040 10.360 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.528 5.439 11.741 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.738 3.762 13.314 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.230 5.305 12.608 1.00 0.00 H new ATOM 342 N GLU A 21 -5.830 4.753 12.165 1.00 0.00 N ATOM 343 CA GLU A 21 -6.840 4.702 13.208 1.00 0.00 C ATOM 344 C GLU A 21 -8.049 3.891 12.736 1.00 0.00 C ATOM 345 O GLU A 21 -8.791 3.346 13.551 1.00 0.00 O ATOM 346 CB GLU A 21 -7.258 6.110 13.636 1.00 0.00 C ATOM 347 CG GLU A 21 -8.489 6.064 14.544 1.00 0.00 C ATOM 348 CD GLU A 21 -8.868 7.467 15.024 1.00 0.00 C ATOM 349 OE1 GLU A 21 -9.603 8.144 14.273 1.00 0.00 O ATOM 350 OE2 GLU A 21 -8.415 7.830 16.131 1.00 0.00 O ATOM 0 H GLU A 21 -5.507 5.692 11.929 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.411 4.206 14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.434 6.595 14.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.474 6.713 12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.327 5.621 14.005 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.288 5.424 15.403 1.00 0.00 H new ATOM 357 N VAL A 22 -8.209 3.837 11.422 1.00 0.00 N ATOM 358 CA VAL A 22 -9.314 3.101 10.832 1.00 0.00 C ATOM 359 C VAL A 22 -9.091 1.602 11.037 1.00 0.00 C ATOM 360 O VAL A 22 -9.987 0.894 11.494 1.00 0.00 O ATOM 361 CB VAL A 22 -9.472 3.486 9.360 1.00 0.00 C ATOM 362 CG1 VAL A 22 -10.532 2.618 8.677 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.804 4.973 9.214 1.00 0.00 C ATOM 0 H VAL A 22 -7.592 4.291 10.749 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.251 3.360 11.325 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.519 3.305 8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.625 2.912 7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.237 1.570 8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.491 2.753 9.178 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.911 5.220 8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.737 5.190 9.734 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.001 5.569 9.646 1.00 0.00 H new ATOM 373 N PHE A 23 -7.890 1.162 10.691 1.00 0.00 N ATOM 374 CA PHE A 23 -7.538 -0.241 10.831 1.00 0.00 C ATOM 375 C PHE A 23 -7.005 -0.534 12.235 1.00 0.00 C ATOM 376 O PHE A 23 -6.979 -1.687 12.665 1.00 0.00 O ATOM 377 CB PHE A 23 -6.436 -0.530 9.810 1.00 0.00 C ATOM 378 CG PHE A 23 -6.938 -0.646 8.369 1.00 0.00 C ATOM 379 CD1 PHE A 23 -7.647 0.372 7.812 1.00 0.00 C ATOM 380 CD2 PHE A 23 -6.675 -1.767 7.646 1.00 0.00 C ATOM 381 CE1 PHE A 23 -8.112 0.264 6.475 1.00 0.00 C ATOM 382 CE2 PHE A 23 -7.141 -1.875 6.309 1.00 0.00 C ATOM 383 CZ PHE A 23 -7.850 -0.857 5.752 1.00 0.00 C ATOM 0 H PHE A 23 -7.148 1.752 10.314 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.418 -0.864 10.667 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.690 0.263 9.861 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.934 -1.458 10.085 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.856 1.262 8.386 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.112 -2.575 8.089 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.674 1.073 6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.932 -2.765 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.205 -0.939 4.735 1.00 0.00 H new ATOM 393 N ASN A 24 -6.594 0.528 12.911 1.00 0.00 N ATOM 394 CA ASN A 24 -6.063 0.399 14.258 1.00 0.00 C ATOM 395 C ASN A 24 -7.174 -0.081 15.195 1.00 0.00 C ATOM 396 O ASN A 24 -6.907 -0.771 16.177 1.00 0.00 O ATOM 397 CB ASN A 24 -5.552 1.743 14.780 1.00 0.00 C ATOM 398 CG ASN A 24 -4.335 1.552 15.688 1.00 0.00 C ATOM 399 OD1 ASN A 24 -3.341 0.949 15.318 1.00 0.00 O ATOM 400 ND2 ASN A 24 -4.469 2.098 16.893 1.00 0.00 N ATOM 0 H ASN A 24 -6.618 1.482 12.552 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.238 -0.313 14.229 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.287 2.386 13.941 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.345 2.249 15.331 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.712 2.026 17.573 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.329 2.589 17.138 1.00 0.00 H new ATOM 407 N LYS A 25 -8.396 0.305 14.858 1.00 0.00 N ATOM 408 CA LYS A 25 -9.548 -0.077 15.657 1.00 0.00 C ATOM 409 C LYS A 25 -9.548 -1.595 15.851 1.00 0.00 C ATOM 410 O LYS A 25 -10.195 -2.108 16.763 1.00 0.00 O ATOM 411 CB LYS A 25 -10.836 0.463 15.033 1.00 0.00 C ATOM 412 CG LYS A 25 -11.030 1.942 15.370 1.00 0.00 C ATOM 413 CD LYS A 25 -12.079 2.580 14.457 1.00 0.00 C ATOM 414 CE LYS A 25 -12.317 4.043 14.833 1.00 0.00 C ATOM 415 NZ LYS A 25 -13.159 4.710 13.815 1.00 0.00 N ATOM 0 H LYS A 25 -8.613 0.878 14.043 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.489 0.372 16.649 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.802 0.334 13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.689 -0.111 15.396 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.338 2.044 16.411 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.082 2.470 15.265 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.750 2.516 13.420 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.015 2.026 14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.801 4.100 15.808 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.362 4.562 14.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.311 5.703 14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.682 4.672 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.077 4.225 13.751 1.00 0.00 H new ATOM 429 N GLU A 26 -8.814 -2.271 14.979 1.00 0.00 N ATOM 430 CA GLU A 26 -8.721 -3.720 15.043 1.00 0.00 C ATOM 431 C GLU A 26 -7.533 -4.138 15.912 1.00 0.00 C ATOM 432 O GLU A 26 -7.496 -5.256 16.422 1.00 0.00 O ATOM 433 CB GLU A 26 -8.616 -4.325 13.642 1.00 0.00 C ATOM 434 CG GLU A 26 -9.919 -4.135 12.863 1.00 0.00 C ATOM 435 CD GLU A 26 -10.889 -5.288 13.127 1.00 0.00 C ATOM 436 OE1 GLU A 26 -11.507 -5.273 14.213 1.00 0.00 O ATOM 437 OE2 GLU A 26 -10.990 -6.159 12.236 1.00 0.00 O ATOM 0 H GLU A 26 -8.278 -1.842 14.224 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.633 -4.103 15.501 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.793 -3.857 13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.385 -5.388 13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.384 -3.191 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.703 -4.073 11.796 1.00 0.00 H new ATOM 444 N GLY A 27 -6.592 -3.216 16.054 1.00 0.00 N ATOM 445 CA GLY A 27 -5.406 -3.475 16.852 1.00 0.00 C ATOM 446 C GLY A 27 -4.304 -4.115 16.005 1.00 0.00 C ATOM 447 O GLY A 27 -3.322 -4.627 16.541 1.00 0.00 O ATOM 0 H GLY A 27 -6.627 -2.289 15.630 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.043 -2.542 17.283 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.659 -4.133 17.683 1.00 0.00 H new ATOM 451 N TYR A 28 -4.503 -4.065 14.696 1.00 0.00 N ATOM 452 CA TYR A 28 -3.539 -4.633 13.770 1.00 0.00 C ATOM 453 C TYR A 28 -2.210 -3.877 13.829 1.00 0.00 C ATOM 454 O TYR A 28 -2.184 -2.681 14.114 1.00 0.00 O ATOM 455 CB TYR A 28 -4.145 -4.466 12.375 1.00 0.00 C ATOM 456 CG TYR A 28 -4.000 -3.057 11.798 1.00 0.00 C ATOM 457 CD1 TYR A 28 -4.096 -1.958 12.627 1.00 0.00 C ATOM 458 CD2 TYR A 28 -3.772 -2.884 10.448 1.00 0.00 C ATOM 459 CE1 TYR A 28 -3.960 -0.632 12.084 1.00 0.00 C ATOM 460 CE2 TYR A 28 -3.635 -1.558 9.904 1.00 0.00 C ATOM 461 CZ TYR A 28 -3.736 -0.497 10.749 1.00 0.00 C ATOM 462 OH TYR A 28 -3.607 0.756 10.236 1.00 0.00 O ATOM 0 H TYR A 28 -5.318 -3.639 14.255 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.338 -5.676 14.017 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.671 -5.176 11.697 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.203 -4.723 12.417 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.273 -2.093 13.684 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.696 -3.744 9.799 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.034 0.236 12.722 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.456 -1.409 8.849 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.147 1.329 10.884 1.00 0.00 H new ATOM 472 N GLN A 29 -1.138 -4.606 13.555 1.00 0.00 N ATOM 473 CA GLN A 29 0.191 -4.019 13.574 1.00 0.00 C ATOM 474 C GLN A 29 0.473 -3.301 12.252 1.00 0.00 C ATOM 475 O GLN A 29 0.166 -3.822 11.181 1.00 0.00 O ATOM 476 CB GLN A 29 1.255 -5.081 13.859 1.00 0.00 C ATOM 477 CG GLN A 29 2.101 -4.697 15.075 1.00 0.00 C ATOM 478 CD GLN A 29 2.764 -5.930 15.693 1.00 0.00 C ATOM 479 OE1 GLN A 29 2.808 -7.000 15.110 1.00 0.00 O ATOM 480 NE2 GLN A 29 3.274 -5.720 16.903 1.00 0.00 N ATOM 0 H GLN A 29 -1.163 -5.598 13.319 1.00 0.00 H new ATOM 0 HA GLN A 29 0.232 -3.286 14.379 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.775 -6.044 14.035 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.898 -5.200 12.987 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.865 -3.979 14.779 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.473 -4.206 15.819 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.202 -4.798 17.334 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.737 -6.481 17.400 1.00 0.00 H new ATOM 489 N THR A 30 1.054 -2.117 12.372 1.00 0.00 N ATOM 490 CA THR A 30 1.381 -1.322 11.200 1.00 0.00 C ATOM 491 C THR A 30 2.842 -0.870 11.252 1.00 0.00 C ATOM 492 O THR A 30 3.450 -0.847 12.321 1.00 0.00 O ATOM 493 CB THR A 30 0.388 -0.161 11.124 1.00 0.00 C ATOM 494 OG1 THR A 30 0.479 0.458 12.404 1.00 0.00 O ATOM 495 CG2 THR A 30 -1.064 -0.637 11.042 1.00 0.00 C ATOM 0 H THR A 30 1.307 -1.689 13.262 1.00 0.00 H new ATOM 0 HA THR A 30 1.288 -1.909 10.286 1.00 0.00 H new ATOM 0 HB THR A 30 0.617 0.456 10.255 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.132 1.223 12.441 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.728 0.226 10.990 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.196 -1.250 10.151 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.304 -1.226 11.927 1.00 0.00 H new ATOM 503 N PHE A 31 3.362 -0.522 10.085 1.00 0.00 N ATOM 504 CA PHE A 31 4.740 -0.071 9.984 1.00 0.00 C ATOM 505 C PHE A 31 4.913 0.909 8.822 1.00 0.00 C ATOM 506 O PHE A 31 4.216 0.811 7.814 1.00 0.00 O ATOM 507 CB PHE A 31 5.598 -1.311 9.723 1.00 0.00 C ATOM 508 CG PHE A 31 6.843 -1.405 10.607 1.00 0.00 C ATOM 509 CD1 PHE A 31 7.874 -0.537 10.425 1.00 0.00 C ATOM 510 CD2 PHE A 31 6.918 -2.356 11.577 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.029 -0.624 11.246 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.073 -2.443 12.398 1.00 0.00 C ATOM 513 CZ PHE A 31 9.104 -1.575 12.215 1.00 0.00 C ATOM 0 H PHE A 31 2.854 -0.543 9.201 1.00 0.00 H new ATOM 0 HA PHE A 31 5.032 0.441 10.901 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.988 -2.201 9.877 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.907 -1.313 8.678 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.814 0.219 9.656 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.099 -3.045 11.722 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.848 0.065 11.101 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.133 -3.198 13.168 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.983 -1.641 12.840 1.00 0.00 H new ATOM 523 N GLN A 32 5.847 1.831 9.002 1.00 0.00 N ATOM 524 CA GLN A 32 6.121 2.828 7.981 1.00 0.00 C ATOM 525 C GLN A 32 7.540 2.654 7.437 1.00 0.00 C ATOM 526 O GLN A 32 8.442 2.242 8.165 1.00 0.00 O ATOM 527 CB GLN A 32 5.912 4.242 8.526 1.00 0.00 C ATOM 528 CG GLN A 32 4.456 4.460 8.942 1.00 0.00 C ATOM 529 CD GLN A 32 4.161 3.781 10.281 1.00 0.00 C ATOM 530 OE1 GLN A 32 4.830 3.999 11.278 1.00 0.00 O ATOM 531 NE2 GLN A 32 3.125 2.948 10.249 1.00 0.00 N ATOM 0 H GLN A 32 6.424 1.909 9.840 1.00 0.00 H new ATOM 0 HA GLN A 32 5.418 2.683 7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.567 4.406 9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.190 4.973 7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.252 5.528 9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.791 4.063 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.607 2.811 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.848 2.446 11.093 1.00 0.00 H new ATOM 540 N ALA A 33 7.694 2.978 6.161 1.00 0.00 N ATOM 541 CA ALA A 33 8.988 2.863 5.511 1.00 0.00 C ATOM 542 C ALA A 33 9.214 4.082 4.614 1.00 0.00 C ATOM 543 O ALA A 33 8.285 4.843 4.350 1.00 0.00 O ATOM 544 CB ALA A 33 9.054 1.547 4.733 1.00 0.00 C ATOM 0 H ALA A 33 6.944 3.320 5.560 1.00 0.00 H new ATOM 0 HA ALA A 33 9.788 2.845 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.025 1.461 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.917 0.711 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.267 1.530 3.979 1.00 0.00 H new ATOM 550 N ALA A 34 10.454 4.229 4.172 1.00 0.00 N ATOM 551 CA ALA A 34 10.814 5.343 3.311 1.00 0.00 C ATOM 552 C ALA A 34 11.583 4.817 2.097 1.00 0.00 C ATOM 553 O ALA A 34 12.621 5.365 1.731 1.00 0.00 O ATOM 554 CB ALA A 34 11.619 6.368 4.111 1.00 0.00 C ATOM 0 H ALA A 34 11.222 3.596 4.394 1.00 0.00 H new ATOM 0 HA ALA A 34 9.920 5.846 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.889 7.203 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.018 6.733 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.525 5.899 4.495 1.00 0.00 H new ATOM 560 N ASN A 35 11.044 3.760 1.508 1.00 0.00 N ATOM 561 CA ASN A 35 11.666 3.153 0.344 1.00 0.00 C ATOM 562 C ASN A 35 10.894 1.890 -0.042 1.00 0.00 C ATOM 563 O ASN A 35 9.904 1.543 0.600 1.00 0.00 O ATOM 564 CB ASN A 35 13.113 2.752 0.639 1.00 0.00 C ATOM 565 CG ASN A 35 14.094 3.777 0.068 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.715 4.809 -0.461 1.00 0.00 O ATOM 567 ND2 ASN A 35 15.372 3.437 0.205 1.00 0.00 N ATOM 0 H ASN A 35 10.183 3.308 1.815 1.00 0.00 H new ATOM 0 HA ASN A 35 11.652 3.883 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.258 2.666 1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.317 1.771 0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.104 4.056 -0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.620 2.558 0.658 1.00 0.00 H new ATOM 574 N GLY A 36 11.377 1.236 -1.088 1.00 0.00 N ATOM 575 CA GLY A 36 10.745 0.019 -1.567 1.00 0.00 C ATOM 576 C GLY A 36 11.389 -1.218 -0.938 1.00 0.00 C ATOM 577 O GLY A 36 10.707 -2.201 -0.653 1.00 0.00 O ATOM 0 H GLY A 36 12.199 1.526 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.681 0.040 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.829 -0.035 -2.652 1.00 0.00 H new ATOM 581 N LEU A 37 12.697 -1.129 -0.741 1.00 0.00 N ATOM 582 CA LEU A 37 13.441 -2.228 -0.151 1.00 0.00 C ATOM 583 C LEU A 37 13.074 -2.351 1.330 1.00 0.00 C ATOM 584 O LEU A 37 12.696 -3.426 1.792 1.00 0.00 O ATOM 585 CB LEU A 37 14.941 -2.055 -0.400 1.00 0.00 C ATOM 586 CG LEU A 37 15.649 -3.232 -1.073 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.095 -2.874 -1.424 1.00 0.00 C ATOM 588 CD2 LEU A 37 15.564 -4.491 -0.208 1.00 0.00 C ATOM 0 H LEU A 37 13.260 -0.312 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 37 13.169 -3.170 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.087 -1.168 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.428 -1.862 0.556 1.00 0.00 H new ATOM 0 HG LEU A 37 15.135 -3.450 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.576 -3.728 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.104 -2.024 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.637 -2.614 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.075 -5.312 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.038 -4.303 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.518 -4.756 -0.052 1.00 0.00 H new ATOM 600 N GLN A 38 13.198 -1.234 2.031 1.00 0.00 N ATOM 601 CA GLN A 38 12.884 -1.203 3.450 1.00 0.00 C ATOM 602 C GLN A 38 11.488 -1.780 3.697 1.00 0.00 C ATOM 603 O GLN A 38 11.202 -2.276 4.786 1.00 0.00 O ATOM 604 CB GLN A 38 12.995 0.219 4.005 1.00 0.00 C ATOM 605 CG GLN A 38 14.408 0.496 4.522 1.00 0.00 C ATOM 606 CD GLN A 38 14.881 1.890 4.105 1.00 0.00 C ATOM 607 OE1 GLN A 38 15.062 2.187 2.935 1.00 0.00 O ATOM 608 NE2 GLN A 38 15.071 2.724 5.123 1.00 0.00 N ATOM 0 H GLN A 38 13.511 -0.344 1.644 1.00 0.00 H new ATOM 0 HA GLN A 38 13.611 -1.822 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.741 0.938 3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.275 0.356 4.812 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.424 0.413 5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.095 -0.256 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.900 2.410 6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.387 3.678 4.949 1.00 0.00 H new ATOM 617 N ALA A 39 10.657 -1.697 2.669 1.00 0.00 N ATOM 618 CA ALA A 39 9.299 -2.205 2.761 1.00 0.00 C ATOM 619 C ALA A 39 9.301 -3.708 2.477 1.00 0.00 C ATOM 620 O ALA A 39 8.415 -4.431 2.930 1.00 0.00 O ATOM 621 CB ALA A 39 8.398 -1.431 1.797 1.00 0.00 C ATOM 0 H ALA A 39 10.898 -1.285 1.767 1.00 0.00 H new ATOM 0 HA ALA A 39 8.902 -2.060 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.379 -1.812 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.408 -0.373 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.764 -1.556 0.778 1.00 0.00 H new ATOM 627 N LEU A 40 10.307 -4.135 1.728 1.00 0.00 N ATOM 628 CA LEU A 40 10.437 -5.539 1.378 1.00 0.00 C ATOM 629 C LEU A 40 10.819 -6.339 2.625 1.00 0.00 C ATOM 630 O LEU A 40 10.270 -7.411 2.872 1.00 0.00 O ATOM 631 CB LEU A 40 11.413 -5.714 0.213 1.00 0.00 C ATOM 632 CG LEU A 40 10.833 -5.498 -1.187 1.00 0.00 C ATOM 633 CD1 LEU A 40 11.828 -5.931 -2.265 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.484 -6.204 -1.335 1.00 0.00 C ATOM 0 H LEU A 40 11.040 -3.533 1.354 1.00 0.00 H new ATOM 0 HA LEU A 40 9.483 -5.932 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.242 -5.020 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.828 -6.721 0.261 1.00 0.00 H new ATOM 0 HG LEU A 40 10.655 -4.431 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.391 -5.767 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.743 -5.346 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.060 -6.989 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.093 -6.035 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.613 -7.274 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.783 -5.807 -0.601 1.00 0.00 H new ATOM 646 N ASP A 41 11.758 -5.785 3.378 1.00 0.00 N ATOM 647 CA ASP A 41 12.220 -6.433 4.594 1.00 0.00 C ATOM 648 C ASP A 41 11.105 -6.399 5.641 1.00 0.00 C ATOM 649 O ASP A 41 10.798 -7.417 6.259 1.00 0.00 O ATOM 650 CB ASP A 41 13.436 -5.709 5.176 1.00 0.00 C ATOM 651 CG ASP A 41 14.619 -6.613 5.529 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.383 -7.835 5.650 1.00 0.00 O ATOM 653 OD2 ASP A 41 15.732 -6.062 5.670 1.00 0.00 O ATOM 0 H ASP A 41 12.211 -4.895 3.170 1.00 0.00 H new ATOM 0 HA ASP A 41 12.495 -7.458 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.772 -4.960 4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.126 -5.174 6.074 1.00 0.00 H new ATOM 658 N ILE A 42 10.529 -5.217 5.807 1.00 0.00 N ATOM 659 CA ILE A 42 9.455 -5.037 6.769 1.00 0.00 C ATOM 660 C ILE A 42 8.211 -5.784 6.282 1.00 0.00 C ATOM 661 O ILE A 42 7.344 -6.139 7.079 1.00 0.00 O ATOM 662 CB ILE A 42 9.215 -3.549 7.032 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.402 -2.925 7.769 1.00 0.00 C ATOM 664 CG2 ILE A 42 7.897 -3.330 7.778 1.00 0.00 C ATOM 665 CD1 ILE A 42 9.925 -1.968 8.864 1.00 0.00 C ATOM 0 H ILE A 42 10.786 -4.375 5.292 1.00 0.00 H new ATOM 0 HA ILE A 42 9.730 -5.467 7.732 1.00 0.00 H new ATOM 0 HB ILE A 42 9.129 -3.041 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.015 -3.711 8.210 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.033 -2.388 7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.750 -2.264 7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.072 -3.717 7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.929 -3.853 8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.788 -1.538 9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.332 -1.170 8.417 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.315 -2.514 9.583 1.00 0.00 H new ATOM 677 N VAL A 43 8.163 -6.000 4.976 1.00 0.00 N ATOM 678 CA VAL A 43 7.039 -6.698 4.373 1.00 0.00 C ATOM 679 C VAL A 43 6.863 -8.056 5.056 1.00 0.00 C ATOM 680 O VAL A 43 5.777 -8.376 5.536 1.00 0.00 O ATOM 681 CB VAL A 43 7.243 -6.811 2.861 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.966 -8.235 2.376 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.375 -5.797 2.114 1.00 0.00 C ATOM 0 H VAL A 43 8.884 -5.704 4.318 1.00 0.00 H new ATOM 0 HA VAL A 43 6.116 -6.137 4.521 1.00 0.00 H new ATOM 0 HB VAL A 43 8.286 -6.581 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.118 -8.288 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.646 -8.927 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.937 -8.506 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.539 -5.898 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.325 -5.981 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.642 -4.788 2.428 1.00 0.00 H new ATOM 693 N THR A 44 7.947 -8.817 5.077 1.00 0.00 N ATOM 694 CA THR A 44 7.926 -10.133 5.693 1.00 0.00 C ATOM 695 C THR A 44 7.973 -10.009 7.217 1.00 0.00 C ATOM 696 O THR A 44 7.366 -10.809 7.927 1.00 0.00 O ATOM 697 CB THR A 44 9.085 -10.945 5.113 1.00 0.00 C ATOM 698 OG1 THR A 44 8.903 -10.852 3.702 1.00 0.00 O ATOM 699 CG2 THR A 44 8.957 -12.441 5.407 1.00 0.00 C ATOM 0 H THR A 44 8.846 -8.548 4.677 1.00 0.00 H new ATOM 0 HA THR A 44 6.998 -10.660 5.470 1.00 0.00 H new ATOM 0 HB THR A 44 10.026 -10.574 5.519 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.614 -11.350 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.805 -12.971 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.943 -12.600 6.485 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.032 -12.819 4.972 1.00 0.00 H new ATOM 707 N LYS A 45 8.700 -9.001 7.675 1.00 0.00 N ATOM 708 CA LYS A 45 8.835 -8.762 9.102 1.00 0.00 C ATOM 709 C LYS A 45 7.453 -8.492 9.702 1.00 0.00 C ATOM 710 O LYS A 45 7.145 -8.962 10.796 1.00 0.00 O ATOM 711 CB LYS A 45 9.848 -7.647 9.365 1.00 0.00 C ATOM 712 CG LYS A 45 10.974 -8.134 10.280 1.00 0.00 C ATOM 713 CD LYS A 45 11.258 -7.117 11.388 1.00 0.00 C ATOM 714 CE LYS A 45 12.756 -6.824 11.491 1.00 0.00 C ATOM 715 NZ LYS A 45 13.381 -7.676 12.527 1.00 0.00 N ATOM 0 H LYS A 45 9.202 -8.340 7.083 1.00 0.00 H new ATOM 0 HA LYS A 45 9.233 -9.646 9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.267 -7.301 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.346 -6.795 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.700 -9.092 10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.878 -8.301 9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.716 -6.193 11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.892 -7.500 12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.234 -7.002 10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.911 -5.773 11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.398 -7.464 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.936 -7.486 13.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.249 -8.677 12.279 1.00 0.00 H new ATOM 729 N GLU A 46 6.659 -7.735 8.959 1.00 0.00 N ATOM 730 CA GLU A 46 5.318 -7.396 9.405 1.00 0.00 C ATOM 731 C GLU A 46 4.284 -8.257 8.675 1.00 0.00 C ATOM 732 O GLU A 46 3.095 -8.201 8.986 1.00 0.00 O ATOM 733 CB GLU A 46 5.032 -5.907 9.202 1.00 0.00 C ATOM 734 CG GLU A 46 5.373 -5.108 10.462 1.00 0.00 C ATOM 735 CD GLU A 46 4.154 -4.331 10.965 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.272 -4.054 10.124 1.00 0.00 O ATOM 737 OE2 GLU A 46 4.133 -4.032 12.178 1.00 0.00 O ATOM 0 H GLU A 46 6.918 -7.347 8.052 1.00 0.00 H new ATOM 0 HA GLU A 46 5.248 -7.603 10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.614 -5.532 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.981 -5.766 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.725 -5.784 11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.187 -4.416 10.249 1.00 0.00 H new ATOM 744 N ARG A 47 4.774 -9.032 7.719 1.00 0.00 N ATOM 745 CA ARG A 47 3.907 -9.902 6.944 1.00 0.00 C ATOM 746 C ARG A 47 2.478 -9.356 6.933 1.00 0.00 C ATOM 747 O ARG A 47 1.552 -10.020 7.397 1.00 0.00 O ATOM 748 CB ARG A 47 3.899 -11.322 7.514 1.00 0.00 C ATOM 749 CG ARG A 47 3.557 -11.312 9.005 1.00 0.00 C ATOM 750 CD ARG A 47 2.614 -12.463 9.359 1.00 0.00 C ATOM 751 NE ARG A 47 3.194 -13.749 8.912 1.00 0.00 N ATOM 752 CZ ARG A 47 2.687 -14.950 9.221 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.586 -15.037 9.979 1.00 0.00 N ATOM 754 NH2 ARG A 47 3.281 -16.064 8.771 1.00 0.00 N ATOM 0 H ARG A 47 5.761 -9.075 7.464 1.00 0.00 H new ATOM 0 HA ARG A 47 4.295 -9.934 5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.173 -11.930 6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.875 -11.783 7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.472 -11.393 9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.092 -10.362 9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.443 -12.486 10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.644 -12.308 8.886 1.00 0.00 H new ATOM 0 HE ARG A 47 4.033 -13.719 8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.134 -14.189 10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.200 -15.951 10.214 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.119 -15.997 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.895 -16.978 9.006 1.00 0.00 H new ATOM 768 N PRO A 48 2.339 -8.119 6.385 1.00 0.00 N ATOM 769 CA PRO A 48 1.038 -7.476 6.308 1.00 0.00 C ATOM 770 C PRO A 48 0.183 -8.100 5.203 1.00 0.00 C ATOM 771 O PRO A 48 0.707 -8.744 4.296 1.00 0.00 O ATOM 772 CB PRO A 48 1.340 -6.006 6.067 1.00 0.00 C ATOM 773 CG PRO A 48 2.771 -5.952 5.556 1.00 0.00 C ATOM 774 CD PRO A 48 3.413 -7.303 5.825 1.00 0.00 C ATOM 0 HA PRO A 48 0.450 -7.604 7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.649 -5.580 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.231 -5.429 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.787 -5.727 4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.326 -5.159 6.057 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.808 -7.743 4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.247 -7.214 6.521 1.00 0.00 H new ATOM 782 N ASP A 49 -1.120 -7.887 5.317 1.00 0.00 N ATOM 783 CA ASP A 49 -2.053 -8.420 4.339 1.00 0.00 C ATOM 784 C ASP A 49 -2.388 -7.334 3.314 1.00 0.00 C ATOM 785 O ASP A 49 -3.140 -7.575 2.371 1.00 0.00 O ATOM 786 CB ASP A 49 -3.358 -8.859 5.005 1.00 0.00 C ATOM 787 CG ASP A 49 -3.300 -10.215 5.711 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.499 -10.325 6.664 1.00 0.00 O ATOM 789 OD2 ASP A 49 -4.057 -11.112 5.281 1.00 0.00 O ATOM 0 H ASP A 49 -1.551 -7.353 6.071 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.584 -9.280 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.651 -8.101 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.141 -8.894 4.247 1.00 0.00 H new ATOM 794 N LEU A 50 -1.812 -6.161 3.534 1.00 0.00 N ATOM 795 CA LEU A 50 -2.040 -5.037 2.641 1.00 0.00 C ATOM 796 C LEU A 50 -1.039 -3.925 2.963 1.00 0.00 C ATOM 797 O LEU A 50 -1.035 -3.390 4.070 1.00 0.00 O ATOM 798 CB LEU A 50 -3.501 -4.587 2.708 1.00 0.00 C ATOM 799 CG LEU A 50 -4.091 -4.029 1.411 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.014 -3.337 0.572 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.816 -5.123 0.624 1.00 0.00 C ATOM 0 H LEU A 50 -1.188 -5.965 4.317 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.869 -5.332 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.108 -5.436 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.591 -3.825 3.482 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.832 -3.273 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.460 -2.949 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.582 -2.514 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.232 -4.054 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.226 -4.700 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.113 -5.918 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.626 -5.531 1.229 1.00 0.00 H new ATOM 813 N VAL A 51 -0.215 -3.610 1.974 1.00 0.00 N ATOM 814 CA VAL A 51 0.788 -2.572 2.138 1.00 0.00 C ATOM 815 C VAL A 51 0.554 -1.474 1.098 1.00 0.00 C ATOM 816 O VAL A 51 0.354 -1.763 -0.081 1.00 0.00 O ATOM 817 CB VAL A 51 2.189 -3.181 2.059 1.00 0.00 C ATOM 818 CG1 VAL A 51 2.215 -4.374 1.101 1.00 0.00 C ATOM 819 CG2 VAL A 51 3.223 -2.129 1.652 1.00 0.00 C ATOM 0 H VAL A 51 -0.222 -4.056 1.056 1.00 0.00 H new ATOM 0 HA VAL A 51 0.703 -2.111 3.122 1.00 0.00 H new ATOM 0 HB VAL A 51 2.453 -3.543 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.222 -4.788 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.521 -5.138 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.920 -4.047 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.210 -2.589 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.963 -1.723 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.233 -1.325 2.388 1.00 0.00 H new ATOM 829 N LEU A 52 0.587 -0.238 1.573 1.00 0.00 N ATOM 830 CA LEU A 52 0.380 0.905 0.699 1.00 0.00 C ATOM 831 C LEU A 52 1.713 1.625 0.485 1.00 0.00 C ATOM 832 O LEU A 52 2.390 1.984 1.447 1.00 0.00 O ATOM 833 CB LEU A 52 -0.725 1.808 1.250 1.00 0.00 C ATOM 834 CG LEU A 52 -0.518 3.312 1.063 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.828 4.076 1.265 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.595 3.830 1.977 1.00 0.00 C ATOM 0 H LEU A 52 0.754 -0.002 2.551 1.00 0.00 H new ATOM 0 HA LEU A 52 0.033 0.577 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.665 1.529 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.834 1.606 2.316 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.199 3.487 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.652 5.143 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.565 3.732 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.201 3.898 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.722 4.902 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.329 3.641 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.527 3.317 1.741 1.00 0.00 H new ATOM 848 N LEU A 53 2.050 1.814 -0.782 1.00 0.00 N ATOM 849 CA LEU A 53 3.290 2.485 -1.135 1.00 0.00 C ATOM 850 C LEU A 53 3.016 3.504 -2.243 1.00 0.00 C ATOM 851 O LEU A 53 2.118 3.311 -3.060 1.00 0.00 O ATOM 852 CB LEU A 53 4.370 1.462 -1.493 1.00 0.00 C ATOM 853 CG LEU A 53 5.604 2.013 -2.210 1.00 0.00 C ATOM 854 CD1 LEU A 53 6.825 1.127 -1.957 1.00 0.00 C ATOM 855 CD2 LEU A 53 5.332 2.201 -3.704 1.00 0.00 C ATOM 0 H LEU A 53 1.486 1.514 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 53 3.680 3.039 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.696 0.971 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.921 0.694 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 53 5.828 2.997 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.689 1.541 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.031 1.088 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.627 0.121 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.225 2.594 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.069 1.242 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.508 2.902 -3.838 1.00 0.00 H new ATOM 867 N ASP A 54 3.808 4.566 -2.235 1.00 0.00 N ATOM 868 CA ASP A 54 3.662 5.616 -3.229 1.00 0.00 C ATOM 869 C ASP A 54 4.812 5.523 -4.235 1.00 0.00 C ATOM 870 O ASP A 54 5.955 5.273 -3.855 1.00 0.00 O ATOM 871 CB ASP A 54 3.713 7.000 -2.580 1.00 0.00 C ATOM 872 CG ASP A 54 4.507 8.051 -3.359 1.00 0.00 C ATOM 873 OD1 ASP A 54 4.288 8.133 -4.586 1.00 0.00 O ATOM 874 OD2 ASP A 54 5.316 8.748 -2.708 1.00 0.00 O ATOM 0 H ASP A 54 4.553 4.722 -1.556 1.00 0.00 H new ATOM 0 HA ASP A 54 2.698 5.484 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.693 7.361 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.147 6.902 -1.585 1.00 0.00 H new ATOM 879 N MET A 55 4.469 5.729 -5.498 1.00 0.00 N ATOM 880 CA MET A 55 5.458 5.671 -6.561 1.00 0.00 C ATOM 881 C MET A 55 6.582 6.680 -6.319 1.00 0.00 C ATOM 882 O MET A 55 7.704 6.298 -5.991 1.00 0.00 O ATOM 883 CB MET A 55 4.784 5.969 -7.902 1.00 0.00 C ATOM 884 CG MET A 55 3.541 5.098 -8.096 1.00 0.00 C ATOM 885 SD MET A 55 3.924 3.395 -7.724 1.00 0.00 S ATOM 886 CE MET A 55 3.464 3.343 -6.000 1.00 0.00 C ATOM 0 H MET A 55 3.520 5.936 -5.809 1.00 0.00 H new ATOM 0 HA MET A 55 5.890 4.670 -6.576 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.505 7.022 -7.947 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.488 5.790 -8.715 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.737 5.448 -7.449 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.184 5.183 -9.122 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.178 2.326 -5.730 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.310 3.656 -5.388 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.623 4.015 -5.827 1.00 0.00 H new ATOM 896 N LYS A 56 6.241 7.950 -6.489 1.00 0.00 N ATOM 897 CA LYS A 56 7.208 9.017 -6.293 1.00 0.00 C ATOM 898 C LYS A 56 7.974 8.772 -4.992 1.00 0.00 C ATOM 899 O LYS A 56 7.392 8.802 -3.909 1.00 0.00 O ATOM 900 CB LYS A 56 6.519 10.381 -6.354 1.00 0.00 C ATOM 901 CG LYS A 56 6.081 10.837 -4.961 1.00 0.00 C ATOM 902 CD LYS A 56 5.168 12.062 -5.047 1.00 0.00 C ATOM 903 CE LYS A 56 5.950 13.348 -4.770 1.00 0.00 C ATOM 904 NZ LYS A 56 5.104 14.534 -5.031 1.00 0.00 N ATOM 0 H LYS A 56 5.309 8.263 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 56 7.942 9.020 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.198 11.117 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.652 10.325 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.559 10.024 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.958 11.074 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.715 12.114 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.354 11.965 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.291 13.358 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.840 13.383 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.649 15.398 -4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.799 14.531 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.268 14.507 -4.413 1.00 0.00 H new ATOM 918 N ILE A 57 9.270 8.536 -5.141 1.00 0.00 N ATOM 919 CA ILE A 57 10.122 8.286 -3.991 1.00 0.00 C ATOM 920 C ILE A 57 11.438 9.047 -4.162 1.00 0.00 C ATOM 921 O ILE A 57 12.060 8.987 -5.222 1.00 0.00 O ATOM 922 CB ILE A 57 10.304 6.783 -3.775 1.00 0.00 C ATOM 923 CG1 ILE A 57 8.997 6.133 -3.315 1.00 0.00 C ATOM 924 CG2 ILE A 57 11.455 6.503 -2.807 1.00 0.00 C ATOM 925 CD1 ILE A 57 8.959 4.651 -3.694 1.00 0.00 C ATOM 0 H ILE A 57 9.750 8.513 -6.041 1.00 0.00 H new ATOM 0 HA ILE A 57 9.653 8.660 -3.081 1.00 0.00 H new ATOM 0 HB ILE A 57 10.570 6.331 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.894 6.239 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.151 6.650 -3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.563 5.427 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.380 6.912 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 57 11.244 6.971 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.020 4.213 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.037 4.550 -4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.793 4.133 -3.220 1.00 0.00 H new ATOM 937 N PRO A 58 11.834 9.763 -3.076 1.00 0.00 N ATOM 938 CA PRO A 58 13.066 10.534 -3.097 1.00 0.00 C ATOM 939 C PRO A 58 14.287 9.620 -2.982 1.00 0.00 C ATOM 940 O PRO A 58 14.311 8.710 -2.155 1.00 0.00 O ATOM 941 CB PRO A 58 12.940 11.506 -1.935 1.00 0.00 C ATOM 942 CG PRO A 58 11.862 10.935 -1.029 1.00 0.00 C ATOM 943 CD PRO A 58 11.123 9.857 -1.805 1.00 0.00 C ATOM 0 HA PRO A 58 13.211 11.070 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.886 11.603 -1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.668 12.501 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.305 10.518 -0.124 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.173 11.719 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.136 8.906 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.077 10.124 -1.955 1.00 0.00 H new ATOM 951 N GLY A 59 15.272 9.893 -3.825 1.00 0.00 N ATOM 952 CA GLY A 59 16.494 9.107 -3.829 1.00 0.00 C ATOM 953 C GLY A 59 16.343 7.864 -4.708 1.00 0.00 C ATOM 954 O GLY A 59 17.316 7.153 -4.957 1.00 0.00 O ATOM 0 H GLY A 59 15.249 10.648 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.321 9.716 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.742 8.809 -2.810 1.00 0.00 H new ATOM 958 N MET A 60 15.116 7.640 -5.155 1.00 0.00 N ATOM 959 CA MET A 60 14.825 6.495 -6.002 1.00 0.00 C ATOM 960 C MET A 60 13.321 6.219 -6.053 1.00 0.00 C ATOM 961 O MET A 60 12.700 5.952 -5.025 1.00 0.00 O ATOM 962 CB MET A 60 15.553 5.262 -5.461 1.00 0.00 C ATOM 963 CG MET A 60 16.650 4.807 -6.425 1.00 0.00 C ATOM 964 SD MET A 60 17.307 3.232 -5.902 1.00 0.00 S ATOM 965 CE MET A 60 15.860 2.208 -6.110 1.00 0.00 C ATOM 0 H MET A 60 14.312 8.232 -4.947 1.00 0.00 H new ATOM 0 HA MET A 60 15.169 6.717 -7.012 1.00 0.00 H new ATOM 0 HB2 MET A 60 15.990 5.490 -4.489 1.00 0.00 H new ATOM 0 HB3 MET A 60 14.840 4.452 -5.308 1.00 0.00 H new ATOM 0 HG2 MET A 60 16.247 4.725 -7.435 1.00 0.00 H new ATOM 0 HG3 MET A 60 17.447 5.550 -6.459 1.00 0.00 H new ATOM 0 HE1 MET A 60 15.544 1.824 -5.140 1.00 0.00 H new ATOM 0 HE2 MET A 60 15.055 2.800 -6.546 1.00 0.00 H new ATOM 0 HE3 MET A 60 16.096 1.374 -6.771 1.00 0.00 H new ATOM 975 N ASP A 61 12.779 6.294 -7.259 1.00 0.00 N ATOM 976 CA ASP A 61 11.359 6.055 -7.458 1.00 0.00 C ATOM 977 C ASP A 61 11.081 4.554 -7.364 1.00 0.00 C ATOM 978 O ASP A 61 11.985 3.739 -7.544 1.00 0.00 O ATOM 979 CB ASP A 61 10.908 6.535 -8.839 1.00 0.00 C ATOM 980 CG ASP A 61 11.786 7.619 -9.466 1.00 0.00 C ATOM 981 OD1 ASP A 61 12.885 7.256 -9.939 1.00 0.00 O ATOM 982 OD2 ASP A 61 11.340 8.786 -9.458 1.00 0.00 O ATOM 0 H ASP A 61 13.297 6.517 -8.109 1.00 0.00 H new ATOM 0 HA ASP A 61 10.814 6.604 -6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.878 5.679 -9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.889 6.915 -8.760 1.00 0.00 H new ATOM 987 N GLY A 62 9.826 4.233 -7.084 1.00 0.00 N ATOM 988 CA GLY A 62 9.418 2.844 -6.964 1.00 0.00 C ATOM 989 C GLY A 62 8.966 2.287 -8.316 1.00 0.00 C ATOM 990 O GLY A 62 8.060 1.458 -8.379 1.00 0.00 O ATOM 0 H GLY A 62 9.079 4.911 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.247 2.249 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.605 2.761 -6.242 1.00 0.00 H new ATOM 994 N ILE A 63 9.619 2.766 -9.365 1.00 0.00 N ATOM 995 CA ILE A 63 9.296 2.326 -10.712 1.00 0.00 C ATOM 996 C ILE A 63 9.959 0.973 -10.975 1.00 0.00 C ATOM 997 O ILE A 63 9.312 0.043 -11.454 1.00 0.00 O ATOM 998 CB ILE A 63 9.671 3.403 -11.731 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.927 4.710 -11.447 1.00 0.00 C ATOM 1000 CG2 ILE A 63 9.438 2.910 -13.161 1.00 0.00 C ATOM 1001 CD1 ILE A 63 9.673 5.906 -12.042 1.00 0.00 C ATOM 0 H ILE A 63 10.370 3.454 -9.309 1.00 0.00 H new ATOM 0 HA ILE A 63 8.221 2.180 -10.818 1.00 0.00 H new ATOM 0 HB ILE A 63 10.736 3.611 -11.632 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.922 4.659 -11.866 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.818 4.844 -10.371 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.712 3.695 -13.866 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.049 2.027 -13.345 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.386 2.657 -13.292 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.123 6.822 -11.826 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.669 5.969 -11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.759 5.781 -13.121 1.00 0.00 H new ATOM 1013 N GLU A 64 11.242 0.906 -10.650 1.00 0.00 N ATOM 1014 CA GLU A 64 12.000 -0.318 -10.845 1.00 0.00 C ATOM 1015 C GLU A 64 11.868 -1.226 -9.621 1.00 0.00 C ATOM 1016 O GLU A 64 12.000 -2.444 -9.730 1.00 0.00 O ATOM 1017 CB GLU A 64 13.469 -0.012 -11.144 1.00 0.00 C ATOM 1018 CG GLU A 64 13.598 1.157 -12.123 1.00 0.00 C ATOM 1019 CD GLU A 64 13.334 0.701 -13.559 1.00 0.00 C ATOM 1020 OE1 GLU A 64 14.076 -0.197 -14.014 1.00 0.00 O ATOM 1021 OE2 GLU A 64 12.397 1.259 -14.170 1.00 0.00 O ATOM 0 H GLU A 64 11.775 1.679 -10.253 1.00 0.00 H new ATOM 0 HA GLU A 64 11.589 -0.842 -11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.990 0.226 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.950 -0.896 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.893 1.943 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.597 1.587 -12.052 1.00 0.00 H new ATOM 1028 N ILE A 65 11.608 -0.598 -8.484 1.00 0.00 N ATOM 1029 CA ILE A 65 11.455 -1.334 -7.240 1.00 0.00 C ATOM 1030 C ILE A 65 10.225 -2.239 -7.335 1.00 0.00 C ATOM 1031 O ILE A 65 10.341 -3.460 -7.251 1.00 0.00 O ATOM 1032 CB ILE A 65 11.422 -0.373 -6.050 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.644 0.547 -6.053 1.00 0.00 C ATOM 1034 CG2 ILE A 65 11.283 -1.138 -4.732 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.697 1.393 -4.779 1.00 0.00 C ATOM 0 H ILE A 65 11.499 0.413 -8.398 1.00 0.00 H new ATOM 0 HA ILE A 65 12.315 -1.982 -7.073 1.00 0.00 H new ATOM 0 HB ILE A 65 10.542 0.262 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.553 -0.050 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.610 1.199 -6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.262 -0.432 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.358 -1.714 -4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 65 12.130 -1.814 -4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.575 2.038 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.798 2.006 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.755 0.738 -3.910 1.00 0.00 H new ATOM 1047 N LEU A 66 9.075 -1.604 -7.509 1.00 0.00 N ATOM 1048 CA LEU A 66 7.825 -2.336 -7.616 1.00 0.00 C ATOM 1049 C LEU A 66 7.903 -3.299 -8.803 1.00 0.00 C ATOM 1050 O LEU A 66 7.255 -4.344 -8.803 1.00 0.00 O ATOM 1051 CB LEU A 66 6.642 -1.369 -7.686 1.00 0.00 C ATOM 1052 CG LEU A 66 6.086 -0.891 -6.343 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.570 -2.069 -5.513 1.00 0.00 C ATOM 1054 CD2 LEU A 66 7.125 -0.065 -5.582 1.00 0.00 C ATOM 0 H LEU A 66 8.983 -0.591 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 66 7.660 -2.941 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.946 -0.495 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.836 -1.851 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 66 5.236 -0.237 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.180 -1.702 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.776 -2.578 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.386 -2.767 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.704 0.262 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.010 -0.674 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.402 0.806 -6.175 1.00 0.00 H new ATOM 1066 N LYS A 67 8.702 -2.912 -9.786 1.00 0.00 N ATOM 1067 CA LYS A 67 8.873 -3.727 -10.977 1.00 0.00 C ATOM 1068 C LYS A 67 9.515 -5.061 -10.588 1.00 0.00 C ATOM 1069 O LYS A 67 8.897 -6.115 -10.729 1.00 0.00 O ATOM 1070 CB LYS A 67 9.653 -2.958 -12.046 1.00 0.00 C ATOM 1071 CG LYS A 67 8.776 -2.675 -13.267 1.00 0.00 C ATOM 1072 CD LYS A 67 9.628 -2.492 -14.524 1.00 0.00 C ATOM 1073 CE LYS A 67 9.071 -3.312 -15.689 1.00 0.00 C ATOM 1074 NZ LYS A 67 9.897 -3.118 -16.901 1.00 0.00 N ATOM 0 H LYS A 67 9.238 -2.044 -9.782 1.00 0.00 H new ATOM 0 HA LYS A 67 7.906 -3.956 -11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.018 -2.019 -11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.528 -3.534 -12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.076 -3.497 -13.415 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.182 -1.778 -13.092 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.656 -1.437 -14.798 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.655 -2.796 -14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.051 -4.368 -15.421 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.042 -3.015 -15.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.505 -3.682 -17.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.895 -2.112 -17.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.872 -3.424 -16.709 1.00 0.00 H new ATOM 1088 N ARG A 68 10.746 -4.971 -10.106 1.00 0.00 N ATOM 1089 CA ARG A 68 11.477 -6.157 -9.696 1.00 0.00 C ATOM 1090 C ARG A 68 10.684 -6.933 -8.643 1.00 0.00 C ATOM 1091 O ARG A 68 10.723 -8.162 -8.611 1.00 0.00 O ATOM 1092 CB ARG A 68 12.848 -5.789 -9.123 1.00 0.00 C ATOM 1093 CG ARG A 68 13.929 -5.855 -10.204 1.00 0.00 C ATOM 1094 CD ARG A 68 15.258 -5.303 -9.684 1.00 0.00 C ATOM 1095 NE ARG A 68 16.030 -6.379 -9.023 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.522 -7.450 -9.660 1.00 0.00 C ATOM 1097 NH1 ARG A 68 16.326 -7.595 -10.978 1.00 0.00 N ATOM 1098 NH2 ARG A 68 17.211 -8.377 -8.980 1.00 0.00 N ATOM 0 H ARG A 68 11.255 -4.095 -9.990 1.00 0.00 H new ATOM 0 HA ARG A 68 11.620 -6.779 -10.579 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.812 -4.785 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.100 -6.469 -8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.062 -6.887 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.611 -5.285 -11.077 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.835 -4.884 -10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.074 -4.492 -8.980 1.00 0.00 H new ATOM 0 HE ARG A 68 16.198 -6.300 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.802 -6.890 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.701 -8.411 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.361 -8.267 -7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.585 -9.192 -9.465 1.00 0.00 H new ATOM 1112 N MET A 69 9.981 -6.182 -7.806 1.00 0.00 N ATOM 1113 CA MET A 69 9.180 -6.784 -6.754 1.00 0.00 C ATOM 1114 C MET A 69 8.156 -7.761 -7.336 1.00 0.00 C ATOM 1115 O MET A 69 8.106 -8.924 -6.937 1.00 0.00 O ATOM 1116 CB MET A 69 8.453 -5.686 -5.975 1.00 0.00 C ATOM 1117 CG MET A 69 8.975 -5.595 -4.540 1.00 0.00 C ATOM 1118 SD MET A 69 9.631 -3.963 -4.231 1.00 0.00 S ATOM 1119 CE MET A 69 8.306 -3.277 -3.253 1.00 0.00 C ATOM 0 H MET A 69 9.950 -5.163 -7.836 1.00 0.00 H new ATOM 0 HA MET A 69 9.843 -7.336 -6.088 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.589 -4.728 -6.477 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.382 -5.891 -5.964 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.170 -5.812 -3.837 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.750 -6.344 -4.378 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.200 -2.216 -3.478 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.375 -3.793 -3.489 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.532 -3.403 -2.194 1.00 0.00 H new ATOM 1129 N LYS A 70 7.364 -7.253 -8.269 1.00 0.00 N ATOM 1130 CA LYS A 70 6.345 -8.066 -8.909 1.00 0.00 C ATOM 1131 C LYS A 70 7.015 -9.072 -9.847 1.00 0.00 C ATOM 1132 O LYS A 70 6.625 -10.237 -9.894 1.00 0.00 O ATOM 1133 CB LYS A 70 5.307 -7.178 -9.600 1.00 0.00 C ATOM 1134 CG LYS A 70 5.739 -6.840 -11.028 1.00 0.00 C ATOM 1135 CD LYS A 70 5.593 -8.055 -11.947 1.00 0.00 C ATOM 1136 CE LYS A 70 4.737 -7.718 -13.170 1.00 0.00 C ATOM 1137 NZ LYS A 70 3.686 -8.741 -13.365 1.00 0.00 N ATOM 0 H LYS A 70 7.408 -6.288 -8.597 1.00 0.00 H new ATOM 0 HA LYS A 70 5.794 -8.641 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.343 -7.686 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.172 -6.259 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.135 -6.017 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.775 -6.502 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.578 -8.392 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.139 -8.879 -11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.279 -6.737 -13.041 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.367 -7.662 -14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.486 -8.845 -14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.012 -9.651 -12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.820 -8.447 -12.870 1.00 0.00 H new ATOM 1151 N VAL A 71 8.013 -8.585 -10.570 1.00 0.00 N ATOM 1152 CA VAL A 71 8.741 -9.427 -11.504 1.00 0.00 C ATOM 1153 C VAL A 71 9.395 -10.580 -10.741 1.00 0.00 C ATOM 1154 O VAL A 71 9.637 -11.645 -11.306 1.00 0.00 O ATOM 1155 CB VAL A 71 9.747 -8.585 -12.292 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.484 -9.438 -13.327 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.061 -7.389 -12.955 1.00 0.00 C ATOM 0 H VAL A 71 8.334 -7.618 -10.528 1.00 0.00 H new ATOM 0 HA VAL A 71 8.061 -9.865 -12.234 1.00 0.00 H new ATOM 0 HB VAL A 71 10.485 -8.200 -11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.193 -8.816 -13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.021 -10.241 -12.821 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.764 -9.866 -14.025 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.798 -6.807 -13.508 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.291 -7.745 -13.640 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.604 -6.761 -12.190 1.00 0.00 H new ATOM 1167 N ILE A 72 9.661 -10.329 -9.467 1.00 0.00 N ATOM 1168 CA ILE A 72 10.282 -11.334 -8.621 1.00 0.00 C ATOM 1169 C ILE A 72 9.218 -12.327 -8.151 1.00 0.00 C ATOM 1170 O ILE A 72 9.468 -13.530 -8.094 1.00 0.00 O ATOM 1171 CB ILE A 72 11.051 -10.670 -7.477 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.417 -10.170 -7.952 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.171 -11.612 -6.277 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.434 -11.312 -7.995 1.00 0.00 C ATOM 0 H ILE A 72 9.458 -9.445 -9.001 1.00 0.00 H new ATOM 0 HA ILE A 72 11.022 -11.902 -9.185 1.00 0.00 H new ATOM 0 HB ILE A 72 10.486 -9.798 -7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.321 -9.726 -8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.774 -9.386 -7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.722 -11.115 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.175 -11.877 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.702 -12.516 -6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.396 -10.930 -8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.545 -11.738 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.086 -12.083 -8.682 1.00 0.00 H new ATOM 1186 N ASP A 73 8.052 -11.787 -7.826 1.00 0.00 N ATOM 1187 CA ASP A 73 6.948 -12.611 -7.363 1.00 0.00 C ATOM 1188 C ASP A 73 5.627 -11.990 -7.820 1.00 0.00 C ATOM 1189 O ASP A 73 5.501 -10.768 -7.884 1.00 0.00 O ATOM 1190 CB ASP A 73 6.927 -12.695 -5.836 1.00 0.00 C ATOM 1191 CG ASP A 73 7.937 -13.671 -5.228 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.976 -14.823 -5.713 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.647 -13.244 -4.293 1.00 0.00 O ATOM 0 H ASP A 73 7.848 -10.789 -7.874 1.00 0.00 H new ATOM 0 HA ASP A 73 7.076 -13.611 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.115 -11.701 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.926 -12.986 -5.517 1.00 0.00 H new ATOM 1198 N GLU A 74 4.676 -12.860 -8.127 1.00 0.00 N ATOM 1199 CA GLU A 74 3.369 -12.412 -8.576 1.00 0.00 C ATOM 1200 C GLU A 74 2.348 -12.530 -7.442 1.00 0.00 C ATOM 1201 O GLU A 74 1.143 -12.447 -7.675 1.00 0.00 O ATOM 1202 CB GLU A 74 2.913 -13.198 -9.807 1.00 0.00 C ATOM 1203 CG GLU A 74 2.315 -14.547 -9.406 1.00 0.00 C ATOM 1204 CD GLU A 74 1.938 -15.369 -10.640 1.00 0.00 C ATOM 1205 OE1 GLU A 74 0.784 -15.212 -11.096 1.00 0.00 O ATOM 1206 OE2 GLU A 74 2.811 -16.136 -11.100 1.00 0.00 O ATOM 0 H GLU A 74 4.785 -13.873 -8.074 1.00 0.00 H new ATOM 0 HA GLU A 74 3.445 -11.363 -8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.174 -12.618 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.759 -13.356 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.032 -15.101 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.432 -14.388 -8.787 1.00 0.00 H new ATOM 1213 N ASN A 75 2.868 -12.721 -6.239 1.00 0.00 N ATOM 1214 CA ASN A 75 2.018 -12.851 -5.068 1.00 0.00 C ATOM 1215 C ASN A 75 2.124 -11.580 -4.222 1.00 0.00 C ATOM 1216 O ASN A 75 1.372 -11.403 -3.265 1.00 0.00 O ATOM 1217 CB ASN A 75 2.452 -14.034 -4.200 1.00 0.00 C ATOM 1218 CG ASN A 75 1.246 -14.687 -3.521 1.00 0.00 C ATOM 1219 OD1 ASN A 75 0.101 -14.358 -3.781 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.568 -15.627 -2.637 1.00 0.00 N ATOM 0 H ASN A 75 3.868 -12.789 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 75 0.996 -13.011 -5.410 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.970 -14.770 -4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.160 -13.695 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.835 -16.122 -2.129 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.548 -15.853 -2.467 1.00 0.00 H new ATOM 1227 N ILE A 76 3.063 -10.729 -4.606 1.00 0.00 N ATOM 1228 CA ILE A 76 3.277 -9.480 -3.895 1.00 0.00 C ATOM 1229 C ILE A 76 1.998 -8.643 -3.947 1.00 0.00 C ATOM 1230 O ILE A 76 1.408 -8.470 -5.012 1.00 0.00 O ATOM 1231 CB ILE A 76 4.509 -8.756 -4.443 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.938 -7.621 -3.511 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.265 -8.263 -5.871 1.00 0.00 C ATOM 1234 CD1 ILE A 76 6.458 -7.449 -3.519 1.00 0.00 C ATOM 0 H ILE A 76 3.685 -10.879 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 76 3.490 -9.672 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 76 5.333 -9.468 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.462 -6.691 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.598 -7.830 -2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.156 -7.752 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.043 -9.113 -6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.422 -7.572 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.736 -6.636 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.930 -8.373 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.792 -7.216 -4.530 1.00 0.00 H new ATOM 1246 N ARG A 77 1.607 -8.145 -2.783 1.00 0.00 N ATOM 1247 CA ARG A 77 0.408 -7.330 -2.682 1.00 0.00 C ATOM 1248 C ARG A 77 0.751 -5.949 -2.120 1.00 0.00 C ATOM 1249 O ARG A 77 1.058 -5.816 -0.936 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.636 -7.995 -1.783 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.549 -6.951 -1.137 1.00 0.00 C ATOM 1252 CD ARG A 77 -2.739 -7.616 -0.444 1.00 0.00 C ATOM 1253 NE ARG A 77 -2.272 -8.742 0.395 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.033 -9.791 0.737 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -4.302 -9.864 0.314 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -2.524 -10.766 1.502 1.00 0.00 N ATOM 0 H ARG A 77 2.099 -8.290 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.007 -7.225 -3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.234 -8.693 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.136 -8.576 -1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.982 -6.366 -0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.908 -6.257 -1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.266 -6.887 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.449 -7.976 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.310 -8.718 0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.689 -9.121 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.881 -10.662 0.574 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.558 -10.710 1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.103 -11.564 1.763 1.00 0.00 H new ATOM 1270 N VAL A 78 0.686 -4.957 -2.994 1.00 0.00 N ATOM 1271 CA VAL A 78 0.985 -3.591 -2.600 1.00 0.00 C ATOM 1272 C VAL A 78 0.058 -2.633 -3.350 1.00 0.00 C ATOM 1273 O VAL A 78 -0.480 -2.979 -4.400 1.00 0.00 O ATOM 1274 CB VAL A 78 2.468 -3.292 -2.831 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.810 -1.859 -2.419 1.00 0.00 C ATOM 1276 CG2 VAL A 78 3.352 -4.301 -2.095 1.00 0.00 C ATOM 0 H VAL A 78 0.430 -5.072 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 78 0.801 -3.453 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 78 2.667 -3.389 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.870 -1.673 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.217 -1.160 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.587 -1.722 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.401 -4.066 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.148 -4.251 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.138 -5.306 -2.459 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.099 -1.446 -2.782 1.00 0.00 N ATOM 1287 CA ILE A 79 -0.952 -0.435 -3.385 1.00 0.00 C ATOM 1288 C ILE A 79 -0.096 0.760 -3.810 1.00 0.00 C ATOM 1289 O ILE A 79 0.853 1.125 -3.119 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.096 -0.066 -2.439 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.422 -0.652 -2.928 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.177 1.449 -2.240 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -4.491 0.437 -3.049 1.00 0.00 C ATOM 0 H ILE A 79 0.350 -1.162 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.427 -0.824 -4.286 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.889 -0.507 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.277 -1.133 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.760 -1.423 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.999 1.684 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.241 1.811 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.349 1.934 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.424 -0.006 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.651 0.899 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.160 1.194 -3.760 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.464 1.335 -4.946 1.00 0.00 N ATOM 1306 CA ILE A 80 0.258 2.481 -5.472 1.00 0.00 C ATOM 1307 C ILE A 80 -0.601 3.737 -5.313 1.00 0.00 C ATOM 1308 O ILE A 80 -1.828 3.654 -5.284 1.00 0.00 O ATOM 1309 CB ILE A 80 0.704 2.219 -6.912 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.477 2.327 -7.879 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.419 0.872 -7.028 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.883 3.787 -8.088 1.00 0.00 C ATOM 0 H ILE A 80 -1.252 1.029 -5.516 1.00 0.00 H new ATOM 0 HA ILE A 80 1.174 2.647 -4.905 1.00 0.00 H new ATOM 0 HB ILE A 80 1.422 2.989 -7.193 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.210 1.880 -8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.324 1.763 -7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.725 0.711 -8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.299 0.870 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.743 0.074 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.724 3.835 -8.779 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.173 4.224 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.041 4.343 -8.501 1.00 0.00 H new ATOM 1324 N MET A 81 0.077 4.871 -5.214 1.00 0.00 N ATOM 1325 CA MET A 81 -0.610 6.142 -5.059 1.00 0.00 C ATOM 1326 C MET A 81 0.072 7.238 -5.881 1.00 0.00 C ATOM 1327 O MET A 81 1.277 7.453 -5.756 1.00 0.00 O ATOM 1328 CB MET A 81 -0.618 6.541 -3.582 1.00 0.00 C ATOM 1329 CG MET A 81 -0.319 5.337 -2.687 1.00 0.00 C ATOM 1330 SD MET A 81 -0.255 5.848 -0.978 1.00 0.00 S ATOM 1331 CE MET A 81 1.411 5.354 -0.569 1.00 0.00 C ATOM 0 H MET A 81 1.095 4.936 -5.238 1.00 0.00 H new ATOM 0 HA MET A 81 -1.632 6.028 -5.419 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.124 7.321 -3.408 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.589 6.961 -3.320 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.088 4.576 -2.819 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.630 4.885 -2.976 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.631 5.634 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.508 4.274 -0.680 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.113 5.852 -1.238 1.00 0.00 H new ATOM 1341 N THR A 82 -0.727 7.902 -6.703 1.00 0.00 N ATOM 1342 CA THR A 82 -0.216 8.969 -7.544 1.00 0.00 C ATOM 1343 C THR A 82 -1.352 9.609 -8.344 1.00 0.00 C ATOM 1344 O THR A 82 -2.273 8.920 -8.781 1.00 0.00 O ATOM 1345 CB THR A 82 0.894 8.388 -8.423 1.00 0.00 C ATOM 1346 OG1 THR A 82 1.003 9.313 -9.502 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.482 7.078 -9.097 1.00 0.00 C ATOM 0 H THR A 82 -1.726 7.721 -6.804 1.00 0.00 H new ATOM 0 HA THR A 82 0.211 9.774 -6.945 1.00 0.00 H new ATOM 0 HB THR A 82 1.785 8.221 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.849 9.803 -9.429 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.305 6.709 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.236 6.338 -8.335 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.389 7.252 -9.728 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.250 10.919 -8.513 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.258 11.659 -9.252 1.00 0.00 C ATOM 1357 C ALA A 83 -2.408 11.053 -10.649 1.00 0.00 C ATOM 1358 O ALA A 83 -1.496 10.390 -11.142 1.00 0.00 O ATOM 1359 CB ALA A 83 -1.874 13.140 -9.298 1.00 0.00 C ATOM 0 H ALA A 83 -0.484 11.487 -8.151 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.226 11.588 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.631 13.695 -9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.809 13.531 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.908 13.250 -9.792 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.564 11.301 -11.247 1.00 0.00 N ATOM 1366 CA TYR A 84 -3.844 10.788 -12.577 1.00 0.00 C ATOM 1367 C TYR A 84 -3.068 11.568 -13.640 1.00 0.00 C ATOM 1368 O TYR A 84 -3.654 12.069 -14.598 1.00 0.00 O ATOM 1369 CB TYR A 84 -5.343 10.996 -12.802 1.00 0.00 C ATOM 1370 CG TYR A 84 -5.814 12.432 -12.568 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -6.199 12.835 -11.305 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -5.854 13.325 -13.619 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.643 14.187 -11.084 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -6.298 14.677 -13.398 1.00 0.00 C ATOM 1375 CZ TYR A 84 -6.670 15.042 -12.142 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.089 16.319 -11.934 1.00 0.00 O ATOM 0 H TYR A 84 -4.318 11.851 -10.835 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.551 9.741 -12.654 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.590 10.705 -13.823 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.895 10.331 -12.138 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.167 12.136 -10.482 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.552 13.010 -14.607 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.948 14.515 -10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.335 15.386 -14.212 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.055 16.816 -12.778 1.00 0.00 H new ATOM 1386 N GLY A 85 -1.761 11.645 -13.436 1.00 0.00 N ATOM 1387 CA GLY A 85 -0.899 12.355 -14.365 1.00 0.00 C ATOM 1388 C GLY A 85 0.071 11.395 -15.056 1.00 0.00 C ATOM 1389 O GLY A 85 0.344 11.534 -16.247 1.00 0.00 O ATOM 0 H GLY A 85 -1.278 11.227 -12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.506 12.865 -15.113 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.338 13.123 -13.832 1.00 0.00 H new ATOM 1393 N GLU A 86 0.564 10.442 -14.279 1.00 0.00 N ATOM 1394 CA GLU A 86 1.498 9.459 -14.801 1.00 0.00 C ATOM 1395 C GLU A 86 0.791 8.119 -15.020 1.00 0.00 C ATOM 1396 O GLU A 86 1.281 7.077 -14.587 1.00 0.00 O ATOM 1397 CB GLU A 86 2.703 9.298 -13.872 1.00 0.00 C ATOM 1398 CG GLU A 86 2.289 9.454 -12.407 1.00 0.00 C ATOM 1399 CD GLU A 86 3.363 8.893 -11.472 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.514 9.366 -11.582 1.00 0.00 O ATOM 1401 OE2 GLU A 86 3.007 8.004 -10.669 1.00 0.00 O ATOM 0 H GLU A 86 0.334 10.330 -13.292 1.00 0.00 H new ATOM 0 HA GLU A 86 1.868 9.814 -15.763 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.156 8.318 -14.024 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.461 10.041 -14.121 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.121 10.507 -12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.345 8.937 -12.235 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.349 8.190 -15.691 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.128 6.996 -15.972 1.00 0.00 C ATOM 1410 C LEU A 87 -0.192 5.882 -16.444 1.00 0.00 C ATOM 1411 O LEU A 87 -0.399 4.714 -16.120 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.255 7.312 -16.957 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.268 8.365 -16.503 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -3.889 9.081 -17.703 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.330 7.747 -15.591 1.00 0.00 C ATOM 0 H LEU A 87 -0.752 9.056 -16.048 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.619 6.638 -15.067 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.809 7.646 -17.894 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.793 6.388 -17.172 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.740 9.117 -15.917 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.605 9.824 -17.353 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.105 9.575 -18.277 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.400 8.355 -18.336 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.037 8.517 -15.283 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.860 6.962 -16.130 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.850 7.322 -14.710 1.00 0.00 H new ATOM 1427 N ASP A 88 0.817 6.282 -17.203 1.00 0.00 N ATOM 1428 CA ASP A 88 1.786 5.332 -17.724 1.00 0.00 C ATOM 1429 C ASP A 88 2.297 4.454 -16.580 1.00 0.00 C ATOM 1430 O ASP A 88 2.178 3.231 -16.630 1.00 0.00 O ATOM 1431 CB ASP A 88 2.986 6.051 -18.342 1.00 0.00 C ATOM 1432 CG ASP A 88 3.328 5.627 -19.771 1.00 0.00 C ATOM 1433 OD1 ASP A 88 3.741 4.458 -19.933 1.00 0.00 O ATOM 1434 OD2 ASP A 88 3.170 6.481 -20.670 1.00 0.00 O ATOM 0 H ASP A 88 0.985 7.252 -17.470 1.00 0.00 H new ATOM 0 HA ASP A 88 1.293 4.733 -18.489 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.791 7.123 -18.334 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.858 5.880 -17.710 1.00 0.00 H new ATOM 1439 N MET A 89 2.857 5.113 -15.576 1.00 0.00 N ATOM 1440 CA MET A 89 3.388 4.408 -14.422 1.00 0.00 C ATOM 1441 C MET A 89 2.277 3.668 -13.673 1.00 0.00 C ATOM 1442 O MET A 89 2.446 2.512 -13.289 1.00 0.00 O ATOM 1443 CB MET A 89 4.062 5.406 -13.479 1.00 0.00 C ATOM 1444 CG MET A 89 4.369 4.762 -12.126 1.00 0.00 C ATOM 1445 SD MET A 89 5.631 3.514 -12.316 1.00 0.00 S ATOM 1446 CE MET A 89 6.053 3.236 -10.604 1.00 0.00 C ATOM 0 H MET A 89 2.954 6.128 -15.538 1.00 0.00 H new ATOM 0 HA MET A 89 4.116 3.676 -14.771 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.985 5.771 -13.930 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.414 6.271 -13.335 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.701 5.522 -11.419 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.464 4.316 -11.713 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.609 2.303 -10.513 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.667 4.061 -10.242 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.141 3.174 -10.010 1.00 0.00 H new ATOM 1456 N ILE A 90 1.167 4.366 -13.487 1.00 0.00 N ATOM 1457 CA ILE A 90 0.029 3.790 -12.791 1.00 0.00 C ATOM 1458 C ILE A 90 -0.397 2.502 -13.497 1.00 0.00 C ATOM 1459 O ILE A 90 -0.449 1.439 -12.879 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.096 4.819 -12.659 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -0.716 5.923 -11.669 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.417 4.144 -12.285 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.067 7.304 -12.226 1.00 0.00 C ATOM 0 H ILE A 90 1.031 5.325 -13.806 1.00 0.00 H new ATOM 0 HA ILE A 90 0.304 3.520 -11.772 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.241 5.292 -13.630 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.237 5.765 -10.725 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.352 5.874 -11.456 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.199 4.898 -12.198 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.690 3.426 -13.058 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.304 3.626 -11.332 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.787 8.070 -11.503 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.526 7.469 -13.158 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.139 7.358 -12.415 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.691 2.638 -14.782 1.00 0.00 N ATOM 1476 CA GLN A 91 -1.110 1.498 -15.579 1.00 0.00 C ATOM 1477 C GLN A 91 -0.118 0.344 -15.419 1.00 0.00 C ATOM 1478 O GLN A 91 -0.514 -0.785 -15.133 1.00 0.00 O ATOM 1479 CB GLN A 91 -1.268 1.886 -17.050 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.706 2.308 -17.355 1.00 0.00 C ATOM 1481 CD GLN A 91 -3.354 1.360 -18.366 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -2.881 0.264 -18.619 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -4.459 1.841 -18.928 1.00 0.00 N ATOM 0 H GLN A 91 -0.647 3.521 -15.291 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.084 1.166 -15.219 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.587 2.703 -17.289 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.990 1.044 -17.684 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.289 2.317 -16.434 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.715 3.325 -17.747 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.801 2.767 -18.671 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.965 1.284 -19.616 1.00 0.00 H new ATOM 1492 N GLU A 92 1.153 0.668 -15.609 1.00 0.00 N ATOM 1493 CA GLU A 92 2.205 -0.327 -15.490 1.00 0.00 C ATOM 1494 C GLU A 92 2.127 -1.021 -14.128 1.00 0.00 C ATOM 1495 O GLU A 92 2.174 -2.247 -14.049 1.00 0.00 O ATOM 1496 CB GLU A 92 3.582 0.303 -15.706 1.00 0.00 C ATOM 1497 CG GLU A 92 4.446 -0.568 -16.621 1.00 0.00 C ATOM 1498 CD GLU A 92 4.669 0.111 -17.974 1.00 0.00 C ATOM 1499 OE1 GLU A 92 4.902 1.339 -17.961 1.00 0.00 O ATOM 1500 OE2 GLU A 92 4.601 -0.614 -18.990 1.00 0.00 O ATOM 0 H GLU A 92 1.478 1.606 -15.845 1.00 0.00 H new ATOM 0 HA GLU A 92 2.059 -1.077 -16.267 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.468 1.295 -16.144 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.081 0.434 -14.746 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.407 -0.761 -16.144 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.964 -1.534 -16.770 1.00 0.00 H new ATOM 1507 N SER A 93 2.009 -0.206 -13.090 1.00 0.00 N ATOM 1508 CA SER A 93 1.924 -0.726 -11.736 1.00 0.00 C ATOM 1509 C SER A 93 0.724 -1.666 -11.611 1.00 0.00 C ATOM 1510 O SER A 93 0.848 -2.771 -11.084 1.00 0.00 O ATOM 1511 CB SER A 93 1.817 0.409 -10.716 1.00 0.00 C ATOM 1512 OG SER A 93 0.513 0.982 -10.689 1.00 0.00 O ATOM 0 H SER A 93 1.970 0.811 -13.160 1.00 0.00 H new ATOM 0 HA SER A 93 2.837 -1.283 -11.526 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.067 0.030 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.547 1.182 -10.956 1.00 0.00 H new ATOM 0 HG SER A 93 0.293 1.337 -11.575 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.411 -1.194 -12.105 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.633 -1.979 -12.056 1.00 0.00 C ATOM 1520 C LYS A 94 -1.454 -3.247 -12.894 1.00 0.00 C ATOM 1521 O LYS A 94 -1.782 -4.344 -12.444 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.834 -1.129 -12.475 1.00 0.00 C ATOM 1523 CG LYS A 94 -3.928 -1.161 -11.407 1.00 0.00 C ATOM 1524 CD LYS A 94 -4.769 -2.434 -11.521 1.00 0.00 C ATOM 1525 CE LYS A 94 -5.603 -2.427 -12.804 1.00 0.00 C ATOM 1526 NZ LYS A 94 -6.942 -3.008 -12.556 1.00 0.00 N ATOM 0 H LYS A 94 -0.510 -0.277 -12.541 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.839 -2.298 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.515 -0.100 -12.643 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.233 -1.498 -13.420 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.476 -1.107 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.570 -0.286 -11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.117 -3.307 -11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.427 -2.518 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.706 -1.406 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.091 -2.996 -13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.494 -2.995 -13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.839 -3.989 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.434 -2.448 -11.831 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.935 -3.053 -14.097 1.00 0.00 N ATOM 1541 CA GLU A 95 -0.709 -4.167 -15.003 1.00 0.00 C ATOM 1542 C GLU A 95 0.468 -5.016 -14.516 1.00 0.00 C ATOM 1543 O GLU A 95 0.695 -6.115 -15.019 1.00 0.00 O ATOM 1544 CB GLU A 95 -0.475 -3.674 -16.432 1.00 0.00 C ATOM 1545 CG GLU A 95 1.019 -3.609 -16.752 1.00 0.00 C ATOM 1546 CD GLU A 95 1.529 -4.958 -17.264 1.00 0.00 C ATOM 1547 OE1 GLU A 95 0.822 -5.549 -18.108 1.00 0.00 O ATOM 1548 OE2 GLU A 95 2.615 -5.367 -16.799 1.00 0.00 O ATOM 0 H GLU A 95 -0.664 -2.141 -14.466 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.603 -4.790 -15.011 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.973 -4.340 -17.136 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.921 -2.687 -16.558 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.201 -2.839 -17.502 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.574 -3.322 -15.859 1.00 0.00 H new ATOM 1555 N LEU A 96 1.186 -4.472 -13.544 1.00 0.00 N ATOM 1556 CA LEU A 96 2.334 -5.166 -12.985 1.00 0.00 C ATOM 1557 C LEU A 96 1.848 -6.288 -12.065 1.00 0.00 C ATOM 1558 O LEU A 96 2.607 -7.199 -11.737 1.00 0.00 O ATOM 1559 CB LEU A 96 3.277 -4.174 -12.300 1.00 0.00 C ATOM 1560 CG LEU A 96 4.602 -3.906 -13.016 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.373 -3.605 -14.498 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.386 -2.791 -12.319 1.00 0.00 C ATOM 0 H LEU A 96 0.995 -3.560 -13.130 1.00 0.00 H new ATOM 0 HA LEU A 96 2.920 -5.634 -13.776 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.752 -3.226 -12.182 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.496 -4.544 -11.298 1.00 0.00 H new ATOM 0 HG LEU A 96 5.209 -4.810 -12.961 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.331 -3.418 -14.984 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.886 -4.458 -14.971 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.738 -2.724 -14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.324 -2.620 -12.848 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.796 -1.875 -12.322 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.598 -3.083 -11.290 1.00 0.00 H new ATOM 1574 N GLY A 97 0.586 -6.185 -11.675 1.00 0.00 N ATOM 1575 CA GLY A 97 -0.010 -7.180 -10.800 1.00 0.00 C ATOM 1576 C GLY A 97 -0.254 -6.606 -9.403 1.00 0.00 C ATOM 1577 O GLY A 97 -0.268 -7.343 -8.418 1.00 0.00 O ATOM 0 H GLY A 97 -0.040 -5.428 -11.949 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.953 -7.525 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.645 -8.048 -10.731 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.439 -5.294 -9.361 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.682 -4.613 -8.101 1.00 0.00 C ATOM 1583 C ALA A 98 -2.170 -4.697 -7.758 1.00 0.00 C ATOM 1584 O ALA A 98 -2.971 -5.166 -8.566 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.187 -3.168 -8.199 1.00 0.00 C ATOM 0 H ALA A 98 -0.425 -4.685 -10.179 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.131 -5.094 -7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.369 -2.656 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.881 -3.163 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.721 -2.654 -8.999 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.496 -4.236 -6.560 1.00 0.00 N ATOM 1592 CA LEU A 99 -3.874 -4.254 -6.100 1.00 0.00 C ATOM 1593 C LEU A 99 -4.708 -3.308 -6.967 1.00 0.00 C ATOM 1594 O LEU A 99 -5.756 -3.695 -7.482 1.00 0.00 O ATOM 1595 CB LEU A 99 -3.945 -3.940 -4.605 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.195 -4.902 -3.681 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -2.196 -5.752 -4.469 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.524 -4.148 -2.532 1.00 0.00 C ATOM 0 H LEU A 99 -1.829 -3.847 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.300 -5.251 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.553 -2.935 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.993 -3.924 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.920 -5.585 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.676 -6.427 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.728 -6.334 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.471 -5.101 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.998 -4.855 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.814 -3.427 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.281 -3.624 -1.949 1.00 0.00 H new ATOM 1610 N THR A 100 -4.212 -2.087 -7.101 1.00 0.00 N ATOM 1611 CA THR A 100 -4.898 -1.083 -7.897 1.00 0.00 C ATOM 1612 C THR A 100 -4.043 0.180 -8.015 1.00 0.00 C ATOM 1613 O THR A 100 -2.819 0.118 -7.904 1.00 0.00 O ATOM 1614 CB THR A 100 -6.268 -0.832 -7.262 1.00 0.00 C ATOM 1615 OG1 THR A 100 -6.859 0.163 -8.094 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.164 -0.160 -5.892 1.00 0.00 C ATOM 0 H THR A 100 -3.343 -1.770 -6.672 1.00 0.00 H new ATOM 0 HA THR A 100 -5.055 -1.428 -8.919 1.00 0.00 H new ATOM 0 HB THR A 100 -6.801 -1.778 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.752 0.385 -7.755 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.164 -0.005 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.593 -0.797 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.661 0.802 -5.996 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.721 1.296 -8.239 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.038 2.572 -8.374 1.00 0.00 C ATOM 1626 C HIS A 101 -4.928 3.690 -7.828 1.00 0.00 C ATOM 1627 O HIS A 101 -6.073 3.840 -8.252 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.610 2.808 -9.824 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.621 2.346 -10.846 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -4.264 1.909 -12.109 1.00 0.00 N ATOM 1631 CD2 HIS A 101 -5.981 2.257 -10.778 1.00 0.00 C ATOM 1632 CE1 HIS A 101 -5.366 1.575 -12.764 1.00 0.00 C ATOM 1633 NE2 HIS A 101 -6.429 1.792 -11.937 1.00 0.00 N ATOM 0 H HIS A 101 -5.736 1.343 -8.330 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.122 2.563 -7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.423 3.872 -9.968 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.667 2.292 -10.002 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.589 2.520 -9.925 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -5.414 1.197 -13.775 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.407 1.624 -12.171 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.368 4.447 -6.896 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.097 5.547 -6.288 1.00 0.00 C ATOM 1643 C PHE A 102 -4.477 6.893 -6.669 1.00 0.00 C ATOM 1644 O PHE A 102 -3.305 6.958 -7.038 1.00 0.00 O ATOM 1645 CB PHE A 102 -4.999 5.365 -4.772 1.00 0.00 C ATOM 1646 CG PHE A 102 -5.774 4.159 -4.238 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -6.722 3.564 -5.011 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.515 3.681 -2.991 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.441 2.444 -4.516 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.234 2.562 -2.496 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.182 1.967 -3.269 1.00 0.00 C ATOM 0 H PHE A 102 -3.418 4.320 -6.547 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.131 5.543 -6.632 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -3.950 5.261 -4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.369 6.267 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.928 3.943 -6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.762 4.153 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.193 1.971 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.029 2.183 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.729 1.115 -2.892 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.291 7.933 -6.567 1.00 0.00 N ATOM 1662 CA ALA A 103 -4.836 9.273 -6.897 1.00 0.00 C ATOM 1663 C ALA A 103 -4.761 10.111 -5.619 1.00 0.00 C ATOM 1664 O ALA A 103 -5.559 9.922 -4.701 1.00 0.00 O ATOM 1665 CB ALA A 103 -5.771 9.887 -7.942 1.00 0.00 C ATOM 0 H ALA A 103 -6.262 7.875 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.836 9.243 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.430 10.892 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.767 9.271 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.783 9.936 -7.541 1.00 0.00 H new ATOM 1671 N LYS A 104 -3.796 11.018 -5.599 1.00 0.00 N ATOM 1672 CA LYS A 104 -3.607 11.885 -4.449 1.00 0.00 C ATOM 1673 C LYS A 104 -4.924 11.999 -3.679 1.00 0.00 C ATOM 1674 O LYS A 104 -4.995 11.636 -2.506 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.030 13.234 -4.883 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.566 13.367 -4.457 1.00 0.00 C ATOM 1677 CD LYS A 104 -0.730 14.018 -5.561 1.00 0.00 C ATOM 1678 CE LYS A 104 -0.937 15.533 -5.584 1.00 0.00 C ATOM 1679 NZ LYS A 104 -1.375 15.977 -6.926 1.00 0.00 N ATOM 0 H LYS A 104 -3.136 11.171 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.874 11.456 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.108 13.336 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.615 14.042 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.501 13.964 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.161 12.383 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.325 13.794 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.005 13.595 -6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.682 15.815 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.009 16.037 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.511 17.008 -6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.651 15.725 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.272 15.510 -7.170 1.00 0.00 H new ATOM 1693 N PRO A 105 -5.961 12.518 -4.389 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.273 12.685 -3.786 1.00 0.00 C ATOM 1695 C PRO A 105 -7.990 11.340 -3.654 1.00 0.00 C ATOM 1696 O PRO A 105 -8.681 10.908 -4.576 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.003 13.661 -4.693 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.250 13.646 -6.014 1.00 0.00 C ATOM 1699 CD PRO A 105 -5.914 12.959 -5.780 1.00 0.00 C ATOM 0 HA PRO A 105 -7.222 13.072 -2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.042 13.362 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.014 14.662 -4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.824 13.116 -6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.098 14.662 -6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.778 12.116 -6.458 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.082 13.643 -5.951 1.00 0.00 H new ATOM 1707 N PHE A 106 -7.802 10.715 -2.501 1.00 0.00 N ATOM 1708 CA PHE A 106 -8.423 9.428 -2.237 1.00 0.00 C ATOM 1709 C PHE A 106 -9.148 9.435 -0.890 1.00 0.00 C ATOM 1710 O PHE A 106 -8.808 10.215 -0.002 1.00 0.00 O ATOM 1711 CB PHE A 106 -7.299 8.390 -2.192 1.00 0.00 C ATOM 1712 CG PHE A 106 -5.940 8.962 -1.784 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -5.820 9.673 -0.631 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -4.852 8.759 -2.574 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -4.558 10.203 -0.252 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -3.590 9.289 -2.195 1.00 0.00 C ATOM 1717 CZ PHE A 106 -3.470 10.000 -1.042 1.00 0.00 C ATOM 0 H PHE A 106 -7.228 11.076 -1.739 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.155 9.202 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -7.575 7.601 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.207 7.927 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.684 9.835 -0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.948 8.195 -3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -4.462 10.767 0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.726 9.127 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.511 10.403 -0.754 1.00 0.00 H new ATOM 1727 N ASP A 107 -10.135 8.558 -0.781 1.00 0.00 N ATOM 1728 CA ASP A 107 -10.911 8.453 0.443 1.00 0.00 C ATOM 1729 C ASP A 107 -10.633 7.102 1.105 1.00 0.00 C ATOM 1730 O ASP A 107 -10.463 6.094 0.420 1.00 0.00 O ATOM 1731 CB ASP A 107 -12.411 8.537 0.152 1.00 0.00 C ATOM 1732 CG ASP A 107 -13.190 9.504 1.046 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -13.629 9.051 2.125 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -13.328 10.675 0.629 1.00 0.00 O ATOM 0 H ASP A 107 -10.415 7.914 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.623 9.276 1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.548 8.836 -0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.842 7.542 0.257 1.00 0.00 H new ATOM 1739 N ILE A 108 -10.594 7.125 2.429 1.00 0.00 N ATOM 1740 CA ILE A 108 -10.339 5.914 3.191 1.00 0.00 C ATOM 1741 C ILE A 108 -11.539 4.974 3.064 1.00 0.00 C ATOM 1742 O ILE A 108 -11.372 3.762 2.937 1.00 0.00 O ATOM 1743 CB ILE A 108 -9.977 6.258 4.637 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -8.609 5.684 5.012 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -11.074 5.800 5.600 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -8.612 4.156 4.921 1.00 0.00 C ATOM 0 H ILE A 108 -10.735 7.963 2.994 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.476 5.385 2.788 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.905 7.342 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.846 6.090 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.347 5.991 6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.792 6.056 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.011 6.296 5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.202 4.721 5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.628 3.773 5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.359 3.752 5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.851 3.853 3.902 1.00 0.00 H new ATOM 1758 N ASP A 109 -12.722 5.569 3.102 1.00 0.00 N ATOM 1759 CA ASP A 109 -13.950 4.799 2.993 1.00 0.00 C ATOM 1760 C ASP A 109 -13.943 4.020 1.676 1.00 0.00 C ATOM 1761 O ASP A 109 -14.287 2.840 1.648 1.00 0.00 O ATOM 1762 CB ASP A 109 -15.176 5.715 2.994 1.00 0.00 C ATOM 1763 CG ASP A 109 -15.621 6.198 4.376 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -14.998 7.163 4.868 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -16.575 5.591 4.909 1.00 0.00 O ATOM 0 H ASP A 109 -12.857 6.575 3.207 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.003 4.125 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.961 6.585 2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -16.006 5.186 2.526 1.00 0.00 H new ATOM 1770 N GLU A 110 -13.548 4.713 0.618 1.00 0.00 N ATOM 1771 CA GLU A 110 -13.491 4.100 -0.698 1.00 0.00 C ATOM 1772 C GLU A 110 -12.375 3.055 -0.750 1.00 0.00 C ATOM 1773 O GLU A 110 -12.408 2.148 -1.580 1.00 0.00 O ATOM 1774 CB GLU A 110 -13.303 5.158 -1.788 1.00 0.00 C ATOM 1775 CG GLU A 110 -11.873 5.703 -1.781 1.00 0.00 C ATOM 1776 CD GLU A 110 -11.380 5.965 -3.205 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -11.852 6.960 -3.796 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -10.541 5.164 -3.671 1.00 0.00 O ATOM 0 H GLU A 110 -13.265 5.692 0.645 1.00 0.00 H new ATOM 0 HA GLU A 110 -14.440 3.598 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -13.526 4.725 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -14.008 5.975 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.835 6.627 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.211 4.991 -1.288 1.00 0.00 H new ATOM 1785 N ILE A 111 -11.414 3.217 0.147 1.00 0.00 N ATOM 1786 CA ILE A 111 -10.290 2.299 0.213 1.00 0.00 C ATOM 1787 C ILE A 111 -10.696 1.060 1.013 1.00 0.00 C ATOM 1788 O ILE A 111 -10.042 0.021 0.930 1.00 0.00 O ATOM 1789 CB ILE A 111 -9.051 3.008 0.765 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -8.368 3.842 -0.321 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -8.089 2.008 1.409 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -7.248 4.700 0.271 1.00 0.00 C ATOM 0 H ILE A 111 -11.390 3.970 0.834 1.00 0.00 H new ATOM 0 HA ILE A 111 -10.016 1.959 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.371 3.697 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.960 3.183 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -9.103 4.483 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.217 2.538 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.592 1.495 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.771 1.278 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.779 5.283 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.663 5.374 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.503 4.055 0.737 1.00 0.00 H new ATOM 1804 N ARG A 112 -11.773 1.210 1.770 1.00 0.00 N ATOM 1805 CA ARG A 112 -12.275 0.116 2.584 1.00 0.00 C ATOM 1806 C ARG A 112 -13.032 -0.890 1.714 1.00 0.00 C ATOM 1807 O ARG A 112 -13.245 -2.031 2.120 1.00 0.00 O ATOM 1808 CB ARG A 112 -13.205 0.629 3.685 1.00 0.00 C ATOM 1809 CG ARG A 112 -12.495 1.659 4.566 1.00 0.00 C ATOM 1810 CD ARG A 112 -12.960 1.550 6.019 1.00 0.00 C ATOM 1811 NE ARG A 112 -13.806 2.713 6.369 1.00 0.00 N ATOM 1812 CZ ARG A 112 -14.650 2.742 7.410 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -14.765 1.672 8.209 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -15.378 3.840 7.651 1.00 0.00 N ATOM 0 H ARG A 112 -12.312 2.073 1.837 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.417 -0.372 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.092 1.078 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.545 -0.206 4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.417 1.507 4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -12.694 2.663 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.521 0.626 6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.097 1.505 6.683 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.743 3.544 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.210 0.836 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.407 1.694 9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.290 4.654 7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.020 3.862 8.443 1.00 0.00 H new ATOM 1828 N ASP A 113 -13.418 -0.429 0.533 1.00 0.00 N ATOM 1829 CA ASP A 113 -14.147 -1.274 -0.398 1.00 0.00 C ATOM 1830 C ASP A 113 -13.159 -2.167 -1.150 1.00 0.00 C ATOM 1831 O ASP A 113 -13.380 -3.370 -1.282 1.00 0.00 O ATOM 1832 CB ASP A 113 -14.903 -0.433 -1.429 1.00 0.00 C ATOM 1833 CG ASP A 113 -16.412 -0.679 -1.482 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -16.867 -1.580 -0.745 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -17.077 0.039 -2.260 1.00 0.00 O ATOM 0 H ASP A 113 -13.240 0.518 0.200 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.859 -1.870 0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.729 0.621 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.483 -0.630 -2.415 1.00 0.00 H new ATOM 1840 N ALA A 114 -12.089 -1.545 -1.623 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.066 -2.269 -2.359 1.00 0.00 C ATOM 1842 C ALA A 114 -10.342 -3.226 -1.409 1.00 0.00 C ATOM 1843 O ALA A 114 -9.977 -4.334 -1.798 1.00 0.00 O ATOM 1844 CB ALA A 114 -10.113 -1.273 -3.022 1.00 0.00 C ATOM 0 H ALA A 114 -11.908 -0.547 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.514 -2.868 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.346 -1.816 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.672 -0.636 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.642 -0.656 -2.257 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.156 -2.762 -0.182 1.00 0.00 N ATOM 1851 CA VAL A 115 -9.482 -3.563 0.826 1.00 0.00 C ATOM 1852 C VAL A 115 -10.457 -4.603 1.381 1.00 0.00 C ATOM 1853 O VAL A 115 -10.040 -5.600 1.967 1.00 0.00 O ATOM 1854 CB VAL A 115 -8.896 -2.655 1.909 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -8.516 -3.461 3.153 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -7.695 -1.871 1.377 1.00 0.00 C ATOM 0 H VAL A 115 -10.460 -1.842 0.137 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.645 -4.105 0.386 1.00 0.00 H new ATOM 0 HB VAL A 115 -9.664 -1.937 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -8.102 -2.792 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -9.403 -3.954 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.772 -4.212 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -7.298 -1.234 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.923 -2.567 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -8.008 -1.253 0.535 1.00 0.00 H new