USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 854 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 37 ASN : amide:sc= 0.934 K(o=-0.26,f=-5.9) USER MOD Set 1.2: A 77 HIS : +bothHN:sc= 0.881 K(o=-0.26,f=-12!) USER MOD Set 1.3: A 81 HIS : +bothHN:sc= 1.35 K(o=-0.26,f=-17!) USER MOD Set 1.4: A 100 HIS : no HD1:sc= -3.43 K(o=-0.26,f=-15!) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= -0.0167 (180deg=-0.145) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 13 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.8) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= 1.28 (180deg=0.673) USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= 0.997 (180deg=0.876) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.0335 (180deg=-0.3) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 38 GLN : amide:sc= -0.0213 K(o=-0.021,f=-2.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -0.0306 (180deg=-0.237) USER MOD Single : A 46 GLN : amide:sc= -0.296 K(o=-0.3,f=-0.92) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0459) USER MOD Single : A 51 TYR OH : rot -34:sc= 0.359 USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.14) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= 1.28 (180deg=1.13) USER MOD Single : A 60 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.6!) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.21) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 0.614 (180deg=0.524) USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.09) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 95 SER OG : rot 84:sc= 1.27 USER MOD Single : A 98 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.4) USER MOD Single : A 102 GLN : amide:sc= -0.511 K(o=-0.51,f=-3.9!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 107 HIS : +bothHN:sc= 0.609 K(o=0.61,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -9.337 3.515 9.553 1.00 0.00 N ATOM 91 CA GLU A 6 -9.339 2.484 8.523 1.00 0.00 C ATOM 92 C GLU A 6 -8.305 2.786 7.447 1.00 0.00 C ATOM 93 O GLU A 6 -7.731 1.873 6.857 1.00 0.00 O ATOM 94 CB GLU A 6 -10.722 2.321 7.901 1.00 0.00 C ATOM 95 CG GLU A 6 -11.727 1.675 8.838 1.00 0.00 C ATOM 96 CD GLU A 6 -13.011 1.287 8.142 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.096 0.150 7.630 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.945 2.111 8.104 1.00 0.00 O ATOM 0 HA GLU A 6 -9.072 1.543 9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.095 3.299 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.638 1.718 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.280 0.788 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.954 2.364 9.651 1.00 0.00 H new ATOM 105 N LEU A 7 -8.072 4.069 7.200 1.00 0.00 N ATOM 106 CA LEU A 7 -7.059 4.498 6.252 1.00 0.00 C ATOM 107 C LEU A 7 -5.681 4.039 6.715 1.00 0.00 C ATOM 108 O LEU A 7 -4.900 3.486 5.938 1.00 0.00 O ATOM 109 CB LEU A 7 -7.095 6.025 6.105 1.00 0.00 C ATOM 110 CG LEU A 7 -8.190 6.587 5.188 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.575 6.379 5.785 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.941 8.065 4.921 1.00 0.00 C ATOM 0 H LEU A 7 -8.577 4.834 7.648 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.265 4.048 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.218 6.463 7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.128 6.357 5.728 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.152 6.044 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.327 6.788 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.755 5.313 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.636 6.887 6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.724 8.454 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.949 8.612 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.972 8.189 4.438 1.00 0.00 H new ATOM 124 N LEU A 8 -5.404 4.254 7.995 1.00 0.00 N ATOM 125 CA LEU A 8 -4.160 3.808 8.602 1.00 0.00 C ATOM 126 C LEU A 8 -4.057 2.288 8.545 1.00 0.00 C ATOM 127 O LEU A 8 -3.021 1.734 8.179 1.00 0.00 O ATOM 128 CB LEU A 8 -4.099 4.270 10.059 1.00 0.00 C ATOM 129 CG LEU A 8 -2.770 4.013 10.772 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.655 4.831 10.138 1.00 0.00 C ATOM 131 CD2 LEU A 8 -2.896 4.328 12.255 1.00 0.00 C ATOM 0 H LEU A 8 -6.032 4.739 8.636 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.327 4.240 8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.310 5.339 10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.893 3.771 10.615 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.517 2.958 10.666 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.718 4.634 10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.552 4.554 9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.895 5.892 10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.943 4.140 12.749 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.171 5.375 12.382 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.665 3.695 12.697 1.00 0.00 H new ATOM 143 N LYS A 9 -5.151 1.628 8.913 1.00 0.00 N ATOM 144 CA LYS A 9 -5.214 0.170 8.928 1.00 0.00 C ATOM 145 C LYS A 9 -4.920 -0.420 7.547 1.00 0.00 C ATOM 146 O LYS A 9 -4.288 -1.472 7.440 1.00 0.00 O ATOM 147 CB LYS A 9 -6.587 -0.302 9.430 1.00 0.00 C ATOM 148 CG LYS A 9 -6.757 -1.814 9.404 1.00 0.00 C ATOM 149 CD LYS A 9 -8.081 -2.251 10.009 1.00 0.00 C ATOM 150 CE LYS A 9 -8.292 -3.752 9.859 1.00 0.00 C ATOM 151 NZ LYS A 9 -7.193 -4.541 10.480 1.00 0.00 N ATOM 0 H LYS A 9 -6.014 2.085 9.208 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.445 -0.188 9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.734 0.055 10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.365 0.154 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.695 -2.168 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.938 -2.280 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.107 -1.982 11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.898 -1.717 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.241 -4.031 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.363 -4.003 8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.451 -5.548 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.320 -4.412 9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.039 -4.214 11.455 1.00 0.00 H new ATOM 165 N ALA A 10 -5.367 0.260 6.498 1.00 0.00 N ATOM 166 CA ALA A 10 -5.139 -0.204 5.132 1.00 0.00 C ATOM 167 C ALA A 10 -3.649 -0.226 4.805 1.00 0.00 C ATOM 168 O ALA A 10 -3.135 -1.209 4.267 1.00 0.00 O ATOM 169 CB ALA A 10 -5.889 0.674 4.142 1.00 0.00 C ATOM 0 H ALA A 10 -5.889 1.134 6.565 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.518 -1.223 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.709 0.315 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.957 0.634 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.539 1.703 4.230 1.00 0.00 H new ATOM 175 N GLU A 11 -2.958 0.851 5.156 1.00 0.00 N ATOM 176 CA GLU A 11 -1.519 0.941 4.941 1.00 0.00 C ATOM 177 C GLU A 11 -0.794 -0.097 5.792 1.00 0.00 C ATOM 178 O GLU A 11 0.137 -0.758 5.330 1.00 0.00 O ATOM 179 CB GLU A 11 -1.016 2.346 5.284 1.00 0.00 C ATOM 180 CG GLU A 11 -1.609 3.443 4.411 1.00 0.00 C ATOM 181 CD GLU A 11 -1.177 3.337 2.963 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.138 3.929 2.595 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.858 2.674 2.176 1.00 0.00 O ATOM 0 H GLU A 11 -3.371 1.676 5.591 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.311 0.743 3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.248 2.560 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.070 2.366 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.697 3.397 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.311 4.415 4.804 1.00 0.00 H new ATOM 190 N GLN A 12 -1.238 -0.242 7.038 1.00 0.00 N ATOM 191 CA GLN A 12 -0.666 -1.223 7.956 1.00 0.00 C ATOM 192 C GLN A 12 -0.838 -2.641 7.421 1.00 0.00 C ATOM 193 O GLN A 12 0.063 -3.472 7.546 1.00 0.00 O ATOM 194 CB GLN A 12 -1.320 -1.114 9.333 1.00 0.00 C ATOM 195 CG GLN A 12 -0.974 0.163 10.077 1.00 0.00 C ATOM 196 CD GLN A 12 -1.654 0.243 11.428 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.764 -0.258 11.609 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.990 0.864 12.391 1.00 0.00 N ATOM 0 H GLN A 12 -1.997 0.311 7.437 1.00 0.00 H new ATOM 0 HA GLN A 12 0.399 -1.010 8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.402 -1.174 9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.017 -1.969 9.937 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.106 0.221 10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.266 1.023 9.474 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.072 1.266 12.200 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.396 0.940 13.323 1.00 0.00 H new ATOM 207 N GLN A 13 -1.995 -2.906 6.826 1.00 0.00 N ATOM 208 CA GLN A 13 -2.295 -4.224 6.280 1.00 0.00 C ATOM 209 C GLN A 13 -1.312 -4.570 5.174 1.00 0.00 C ATOM 210 O GLN A 13 -0.783 -5.678 5.126 1.00 0.00 O ATOM 211 CB GLN A 13 -3.729 -4.264 5.743 1.00 0.00 C ATOM 212 CG GLN A 13 -4.180 -5.642 5.277 1.00 0.00 C ATOM 213 CD GLN A 13 -4.158 -6.674 6.389 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.331 -6.343 7.562 1.00 0.00 O ATOM 215 NE2 GLN A 13 -3.957 -7.932 6.031 1.00 0.00 N ATOM 0 H GLN A 13 -2.743 -2.223 6.709 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.200 -4.961 7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.407 -3.916 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.814 -3.565 4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.190 -5.571 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.534 -5.976 4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.818 -8.166 5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.942 -8.667 6.738 1.00 0.00 H new ATOM 224 N GLY A 14 -1.056 -3.603 4.310 1.00 0.00 N ATOM 225 CA GLY A 14 -0.111 -3.804 3.234 1.00 0.00 C ATOM 226 C GLY A 14 1.298 -3.990 3.752 1.00 0.00 C ATOM 227 O GLY A 14 2.019 -4.861 3.280 1.00 0.00 O ATOM 0 H GLY A 14 -1.487 -2.679 4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.403 -4.678 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.140 -2.948 2.560 1.00 0.00 H new ATOM 231 N ILE A 15 1.684 -3.186 4.740 1.00 0.00 N ATOM 232 CA ILE A 15 3.000 -3.310 5.363 1.00 0.00 C ATOM 233 C ILE A 15 3.183 -4.708 5.953 1.00 0.00 C ATOM 234 O ILE A 15 4.239 -5.327 5.799 1.00 0.00 O ATOM 235 CB ILE A 15 3.201 -2.251 6.475 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.259 -0.847 5.865 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.461 -2.534 7.285 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.416 0.261 6.886 1.00 0.00 C ATOM 0 H ILE A 15 1.104 -2.441 5.127 1.00 0.00 H new ATOM 0 HA ILE A 15 3.746 -3.143 4.586 1.00 0.00 H new ATOM 0 HB ILE A 15 2.349 -2.306 7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.091 -0.801 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.348 -0.673 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.575 -1.774 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.381 -3.516 7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.329 -2.515 6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.449 1.224 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.571 0.244 7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.341 0.114 7.443 1.00 0.00 H new ATOM 250 N LYS A 16 2.142 -5.197 6.620 1.00 0.00 N ATOM 251 CA LYS A 16 2.151 -6.535 7.196 1.00 0.00 C ATOM 252 C LYS A 16 2.377 -7.573 6.105 1.00 0.00 C ATOM 253 O LYS A 16 3.227 -8.452 6.230 1.00 0.00 O ATOM 254 CB LYS A 16 0.823 -6.809 7.892 1.00 0.00 C ATOM 255 CG LYS A 16 0.855 -8.036 8.785 1.00 0.00 C ATOM 256 CD LYS A 16 1.704 -7.817 10.027 1.00 0.00 C ATOM 257 CE LYS A 16 1.136 -6.708 10.896 1.00 0.00 C ATOM 258 NZ LYS A 16 1.832 -6.611 12.206 1.00 0.00 N ATOM 0 H LYS A 16 1.276 -4.681 6.775 1.00 0.00 H new ATOM 0 HA LYS A 16 2.960 -6.598 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.548 -5.940 8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.045 -6.937 7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.161 -8.294 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.248 -8.883 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.756 -8.742 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.723 -7.566 9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.220 -5.757 10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.074 -6.887 11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.412 -5.842 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.730 -7.509 12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.841 -6.414 12.049 1.00 0.00 H new ATOM 272 N ILE A 17 1.619 -7.433 5.027 1.00 0.00 N ATOM 273 CA ILE A 17 1.720 -8.327 3.879 1.00 0.00 C ATOM 274 C ILE A 17 3.099 -8.237 3.233 1.00 0.00 C ATOM 275 O ILE A 17 3.700 -9.256 2.915 1.00 0.00 O ATOM 276 CB ILE A 17 0.632 -7.998 2.828 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.761 -8.247 3.412 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.834 -8.824 1.561 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.889 -7.799 2.509 1.00 0.00 C ATOM 0 H ILE A 17 0.918 -6.699 4.922 1.00 0.00 H new ATOM 0 HA ILE A 17 1.568 -9.344 4.241 1.00 0.00 H new ATOM 0 HB ILE A 17 0.718 -6.944 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.874 -9.311 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.843 -7.727 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.058 -8.576 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.812 -8.602 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.776 -9.885 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.845 -8.008 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.803 -6.729 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.834 -8.338 1.563 1.00 0.00 H new ATOM 291 N LEU A 18 3.599 -7.022 3.054 1.00 0.00 N ATOM 292 CA LEU A 18 4.905 -6.811 2.439 1.00 0.00 C ATOM 293 C LEU A 18 6.003 -7.523 3.228 1.00 0.00 C ATOM 294 O LEU A 18 6.850 -8.207 2.655 1.00 0.00 O ATOM 295 CB LEU A 18 5.199 -5.312 2.328 1.00 0.00 C ATOM 296 CG LEU A 18 4.293 -4.550 1.356 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.527 -3.053 1.467 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.529 -5.017 -0.071 1.00 0.00 C ATOM 0 H LEU A 18 3.119 -6.164 3.326 1.00 0.00 H new ATOM 0 HA LEU A 18 4.887 -7.238 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.106 -4.864 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.235 -5.181 2.015 1.00 0.00 H new ATOM 0 HG LEU A 18 3.257 -4.758 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.874 -2.530 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.308 -2.725 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.567 -2.829 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.877 -4.465 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.569 -4.840 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.311 -6.082 -0.146 1.00 0.00 H new ATOM 310 N LYS A 19 5.969 -7.386 4.544 1.00 0.00 N ATOM 311 CA LYS A 19 6.918 -8.055 5.405 1.00 0.00 C ATOM 312 C LYS A 19 6.746 -9.572 5.321 1.00 0.00 C ATOM 313 O LYS A 19 7.718 -10.330 5.365 1.00 0.00 O ATOM 314 CB LYS A 19 6.722 -7.566 6.828 1.00 0.00 C ATOM 315 CG LYS A 19 7.180 -6.129 7.028 1.00 0.00 C ATOM 316 CD LYS A 19 8.581 -6.039 7.631 1.00 0.00 C ATOM 317 CE LYS A 19 9.649 -6.616 6.716 1.00 0.00 C ATOM 318 NZ LYS A 19 11.005 -6.487 7.312 1.00 0.00 N ATOM 0 H LYS A 19 5.286 -6.811 5.038 1.00 0.00 H new ATOM 0 HA LYS A 19 7.932 -7.821 5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.668 -7.646 7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.272 -8.216 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.167 -5.610 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.474 -5.614 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.815 -4.996 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.598 -6.570 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.434 -7.667 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.622 -6.102 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.710 -6.890 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.219 -5.482 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.036 -6.998 8.217 1.00 0.00 H new ATOM 332 N GLU A 20 5.501 -10.000 5.180 1.00 0.00 N ATOM 333 CA GLU A 20 5.160 -11.397 5.048 1.00 0.00 C ATOM 334 C GLU A 20 5.683 -11.972 3.731 1.00 0.00 C ATOM 335 O GLU A 20 6.269 -13.056 3.699 1.00 0.00 O ATOM 336 CB GLU A 20 3.643 -11.514 5.136 1.00 0.00 C ATOM 337 CG GLU A 20 3.129 -11.732 6.549 1.00 0.00 C ATOM 338 CD GLU A 20 3.685 -12.986 7.188 1.00 0.00 C ATOM 339 OE1 GLU A 20 4.786 -12.925 7.778 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.020 -14.040 7.110 1.00 0.00 O ATOM 0 H GLU A 20 4.695 -9.376 5.154 1.00 0.00 H new ATOM 0 HA GLU A 20 5.628 -11.974 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.193 -10.607 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.314 -12.341 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.391 -10.870 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.041 -11.791 6.530 1.00 0.00 H new ATOM 347 N VAL A 21 5.484 -11.224 2.652 1.00 0.00 N ATOM 348 CA VAL A 21 5.925 -11.632 1.323 1.00 0.00 C ATOM 349 C VAL A 21 7.445 -11.737 1.253 1.00 0.00 C ATOM 350 O VAL A 21 7.976 -12.666 0.653 1.00 0.00 O ATOM 351 CB VAL A 21 5.428 -10.647 0.240 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.971 -11.017 -1.133 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.909 -10.607 0.211 1.00 0.00 C ATOM 0 H VAL A 21 5.013 -10.319 2.673 1.00 0.00 H new ATOM 0 HA VAL A 21 5.493 -12.614 1.132 1.00 0.00 H new ATOM 0 HB VAL A 21 5.801 -9.655 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.604 -10.306 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.060 -10.990 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.638 -12.021 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.578 -9.908 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.523 -11.602 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.535 -10.282 1.182 1.00 0.00 H new ATOM 363 N LEU A 22 8.139 -10.793 1.881 1.00 0.00 N ATOM 364 CA LEU A 22 9.601 -10.781 1.877 1.00 0.00 C ATOM 365 C LEU A 22 10.154 -12.066 2.489 1.00 0.00 C ATOM 366 O LEU A 22 11.140 -12.629 2.006 1.00 0.00 O ATOM 367 CB LEU A 22 10.119 -9.568 2.647 1.00 0.00 C ATOM 368 CG LEU A 22 11.633 -9.354 2.582 1.00 0.00 C ATOM 369 CD1 LEU A 22 12.079 -9.099 1.150 1.00 0.00 C ATOM 370 CD2 LEU A 22 12.047 -8.203 3.479 1.00 0.00 C ATOM 0 H LEU A 22 7.714 -10.025 2.400 1.00 0.00 H new ATOM 0 HA LEU A 22 9.941 -10.718 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.625 -8.676 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.827 -9.669 3.692 1.00 0.00 H new ATOM 0 HG LEU A 22 12.121 -10.262 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.158 -8.949 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.818 -9.956 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.581 -8.208 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.127 -8.066 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.547 -7.291 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.765 -8.424 4.508 1.00 0.00 H new ATOM 382 N LYS A 23 9.507 -12.524 3.553 1.00 0.00 N ATOM 383 CA LYS A 23 9.872 -13.779 4.201 1.00 0.00 C ATOM 384 C LYS A 23 9.614 -14.933 3.247 1.00 0.00 C ATOM 385 O LYS A 23 10.482 -15.768 2.990 1.00 0.00 O ATOM 386 CB LYS A 23 9.026 -13.955 5.469 1.00 0.00 C ATOM 387 CG LYS A 23 9.535 -15.009 6.454 1.00 0.00 C ATOM 388 CD LYS A 23 9.241 -16.424 5.978 1.00 0.00 C ATOM 389 CE LYS A 23 9.542 -17.454 7.055 1.00 0.00 C ATOM 390 NZ LYS A 23 9.245 -18.839 6.594 1.00 0.00 N ATOM 0 H LYS A 23 8.721 -12.042 3.989 1.00 0.00 H new ATOM 0 HA LYS A 23 10.929 -13.764 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.971 -12.996 5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.010 -14.218 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.610 -14.888 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.070 -14.850 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.194 -16.499 5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.836 -16.641 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.591 -17.384 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.952 -17.233 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.015 -19.436 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.436 -18.821 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.076 -19.228 6.105 1.00 0.00 H new ATOM 404 N LYS A 24 8.411 -14.943 2.710 1.00 0.00 N ATOM 405 CA LYS A 24 7.960 -16.006 1.822 1.00 0.00 C ATOM 406 C LYS A 24 8.734 -16.043 0.505 1.00 0.00 C ATOM 407 O LYS A 24 8.775 -17.075 -0.165 1.00 0.00 O ATOM 408 CB LYS A 24 6.463 -15.873 1.578 1.00 0.00 C ATOM 409 CG LYS A 24 5.644 -16.343 2.766 1.00 0.00 C ATOM 410 CD LYS A 24 4.156 -16.348 2.478 1.00 0.00 C ATOM 411 CE LYS A 24 3.422 -17.242 3.462 1.00 0.00 C ATOM 412 NZ LYS A 24 3.835 -18.666 3.316 1.00 0.00 N ATOM 0 H LYS A 24 7.715 -14.216 2.874 1.00 0.00 H new ATOM 0 HA LYS A 24 8.160 -16.956 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.223 -14.832 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.187 -16.453 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.960 -17.348 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.844 -15.696 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.765 -15.332 2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.979 -16.696 1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.622 -16.906 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.347 -17.155 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.738 -19.151 4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.229 -19.133 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.826 -18.710 3.004 1.00 0.00 H new ATOM 426 N ALA A 25 9.333 -14.923 0.130 1.00 0.00 N ATOM 427 CA ALA A 25 10.208 -14.883 -1.035 1.00 0.00 C ATOM 428 C ALA A 25 11.402 -15.812 -0.832 1.00 0.00 C ATOM 429 O ALA A 25 11.909 -16.409 -1.783 1.00 0.00 O ATOM 430 CB ALA A 25 10.676 -13.461 -1.303 1.00 0.00 C ATOM 0 H ALA A 25 9.231 -14.031 0.613 1.00 0.00 H new ATOM 0 HA ALA A 25 9.646 -15.226 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.328 -13.451 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.812 -12.822 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.224 -13.089 -0.437 1.00 0.00 H new ATOM 436 N LYS A 26 11.851 -15.922 0.416 1.00 0.00 N ATOM 437 CA LYS A 26 12.929 -16.842 0.768 1.00 0.00 C ATOM 438 C LYS A 26 12.431 -18.280 0.833 1.00 0.00 C ATOM 439 O LYS A 26 13.198 -19.216 0.603 1.00 0.00 O ATOM 440 CB LYS A 26 13.595 -16.427 2.082 1.00 0.00 C ATOM 441 CG LYS A 26 14.655 -15.358 1.888 1.00 0.00 C ATOM 442 CD LYS A 26 15.802 -15.886 1.037 1.00 0.00 C ATOM 443 CE LYS A 26 16.754 -14.783 0.611 1.00 0.00 C ATOM 444 NZ LYS A 26 16.103 -13.795 -0.287 1.00 0.00 N ATOM 0 H LYS A 26 11.484 -15.384 1.201 1.00 0.00 H new ATOM 0 HA LYS A 26 13.681 -16.791 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.834 -16.058 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.048 -17.302 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.214 -14.484 1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.034 -15.034 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.352 -16.641 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.399 -16.378 0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.134 -14.272 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.612 -15.223 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.832 -13.238 -0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.519 -14.295 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.501 -13.159 0.275 1.00 0.00 H new ATOM 458 N GLU A 27 11.153 -18.453 1.167 1.00 0.00 N ATOM 459 CA GLU A 27 10.523 -19.771 1.122 1.00 0.00 C ATOM 460 C GLU A 27 10.619 -20.328 -0.295 1.00 0.00 C ATOM 461 O GLU A 27 10.872 -21.515 -0.495 1.00 0.00 O ATOM 462 CB GLU A 27 9.060 -19.696 1.577 1.00 0.00 C ATOM 463 CG GLU A 27 8.909 -19.286 3.033 1.00 0.00 C ATOM 464 CD GLU A 27 7.466 -19.220 3.501 1.00 0.00 C ATOM 465 OE1 GLU A 27 6.549 -19.400 2.673 1.00 0.00 O ATOM 466 OE2 GLU A 27 7.244 -18.975 4.706 1.00 0.00 O ATOM 0 H GLU A 27 10.536 -17.700 1.471 1.00 0.00 H new ATOM 0 HA GLU A 27 11.047 -20.438 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.526 -18.984 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.589 -20.668 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.453 -19.993 3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.374 -18.310 3.177 1.00 0.00 H new ATOM 473 N GLY A 28 10.416 -19.450 -1.270 1.00 0.00 N ATOM 474 CA GLY A 28 10.719 -19.775 -2.649 1.00 0.00 C ATOM 475 C GLY A 28 9.749 -20.744 -3.293 1.00 0.00 C ATOM 476 O GLY A 28 10.152 -21.815 -3.752 1.00 0.00 O ATOM 0 H GLY A 28 10.044 -18.511 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.733 -18.854 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.722 -20.199 -2.697 1.00 0.00 H new ATOM 480 N ASP A 29 8.477 -20.384 -3.332 1.00 0.00 N ATOM 481 CA ASP A 29 7.504 -21.153 -4.095 1.00 0.00 C ATOM 482 C ASP A 29 6.814 -20.267 -5.119 1.00 0.00 C ATOM 483 O ASP A 29 6.355 -19.172 -4.794 1.00 0.00 O ATOM 484 CB ASP A 29 6.462 -21.810 -3.196 1.00 0.00 C ATOM 485 CG ASP A 29 5.451 -22.593 -4.011 1.00 0.00 C ATOM 486 OD1 ASP A 29 5.833 -23.630 -4.596 1.00 0.00 O ATOM 487 OD2 ASP A 29 4.286 -22.161 -4.101 1.00 0.00 O ATOM 0 H ASP A 29 8.095 -19.571 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 29 8.050 -21.945 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.956 -22.475 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.949 -21.047 -2.611 1.00 0.00 H new ATOM 492 N GLU A 30 6.750 -20.748 -6.353 1.00 0.00 N ATOM 493 CA GLU A 30 6.175 -19.986 -7.454 1.00 0.00 C ATOM 494 C GLU A 30 4.704 -19.660 -7.202 1.00 0.00 C ATOM 495 O GLU A 30 4.286 -18.508 -7.346 1.00 0.00 O ATOM 496 CB GLU A 30 6.324 -20.761 -8.763 1.00 0.00 C ATOM 497 CG GLU A 30 5.716 -20.054 -9.960 1.00 0.00 C ATOM 498 CD GLU A 30 5.898 -20.826 -11.246 1.00 0.00 C ATOM 499 OE1 GLU A 30 5.353 -21.943 -11.359 1.00 0.00 O ATOM 500 OE2 GLU A 30 6.568 -20.310 -12.162 1.00 0.00 O ATOM 0 H GLU A 30 7.093 -21.671 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 30 6.718 -19.044 -7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.383 -20.935 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.855 -21.739 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.652 -19.897 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.171 -19.069 -10.065 1.00 0.00 H new ATOM 507 N GLN A 31 3.930 -20.668 -6.814 1.00 0.00 N ATOM 508 CA GLN A 31 2.503 -20.482 -6.566 1.00 0.00 C ATOM 509 C GLN A 31 2.289 -19.498 -5.424 1.00 0.00 C ATOM 510 O GLN A 31 1.417 -18.630 -5.492 1.00 0.00 O ATOM 511 CB GLN A 31 1.828 -21.818 -6.241 1.00 0.00 C ATOM 512 CG GLN A 31 1.979 -22.861 -7.337 1.00 0.00 C ATOM 513 CD GLN A 31 1.148 -24.105 -7.092 1.00 0.00 C ATOM 514 OE1 GLN A 31 0.852 -24.469 -5.952 1.00 0.00 O ATOM 515 NE2 GLN A 31 0.782 -24.777 -8.169 1.00 0.00 N ATOM 0 H GLN A 31 4.265 -21.620 -6.665 1.00 0.00 H new ATOM 0 HA GLN A 31 2.050 -20.078 -7.472 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.249 -22.212 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.767 -21.645 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.691 -22.421 -8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.029 -23.143 -7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.048 -24.441 -9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.233 -25.632 -8.075 1.00 0.00 H new ATOM 524 N GLU A 32 3.102 -19.636 -4.386 1.00 0.00 N ATOM 525 CA GLU A 32 3.061 -18.728 -3.247 1.00 0.00 C ATOM 526 C GLU A 32 3.350 -17.296 -3.695 1.00 0.00 C ATOM 527 O GLU A 32 2.624 -16.375 -3.336 1.00 0.00 O ATOM 528 CB GLU A 32 4.083 -19.156 -2.190 1.00 0.00 C ATOM 529 CG GLU A 32 3.989 -18.376 -0.886 1.00 0.00 C ATOM 530 CD GLU A 32 2.832 -18.824 -0.015 1.00 0.00 C ATOM 531 OE1 GLU A 32 1.684 -18.403 -0.264 1.00 0.00 O ATOM 532 OE2 GLU A 32 3.072 -19.607 0.931 1.00 0.00 O ATOM 0 H GLU A 32 3.803 -20.373 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 32 2.062 -18.767 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.948 -20.217 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.086 -19.038 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.921 -18.490 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.880 -17.315 -1.110 1.00 0.00 H new ATOM 539 N LEU A 33 4.401 -17.119 -4.493 1.00 0.00 N ATOM 540 CA LEU A 33 4.794 -15.793 -4.967 1.00 0.00 C ATOM 541 C LEU A 33 3.669 -15.132 -5.760 1.00 0.00 C ATOM 542 O LEU A 33 3.401 -13.941 -5.595 1.00 0.00 O ATOM 543 CB LEU A 33 6.063 -15.874 -5.821 1.00 0.00 C ATOM 544 CG LEU A 33 7.318 -16.344 -5.081 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.507 -16.401 -6.027 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.618 -15.434 -3.898 1.00 0.00 C ATOM 0 H LEU A 33 4.996 -17.878 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 33 5.000 -15.179 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.878 -16.551 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.259 -14.890 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 33 7.134 -17.349 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.389 -16.737 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.294 -17.098 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.691 -15.409 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.514 -15.786 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.780 -14.416 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.776 -15.447 -3.206 1.00 0.00 H new ATOM 558 N ALA A 34 3.008 -15.910 -6.612 1.00 0.00 N ATOM 559 CA ALA A 34 1.881 -15.404 -7.387 1.00 0.00 C ATOM 560 C ALA A 34 0.738 -14.994 -6.462 1.00 0.00 C ATOM 561 O ALA A 34 0.111 -13.947 -6.648 1.00 0.00 O ATOM 562 CB ALA A 34 1.412 -16.451 -8.386 1.00 0.00 C ATOM 0 H ALA A 34 3.233 -16.890 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 34 2.208 -14.523 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.570 -16.058 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.228 -16.697 -9.066 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.101 -17.349 -7.853 1.00 0.00 H new ATOM 568 N ARG A 35 0.489 -15.829 -5.461 1.00 0.00 N ATOM 569 CA ARG A 35 -0.510 -15.556 -4.437 1.00 0.00 C ATOM 570 C ARG A 35 -0.181 -14.266 -3.687 1.00 0.00 C ATOM 571 O ARG A 35 -1.042 -13.410 -3.485 1.00 0.00 O ATOM 572 CB ARG A 35 -0.550 -16.725 -3.453 1.00 0.00 C ATOM 573 CG ARG A 35 -1.532 -16.547 -2.312 1.00 0.00 C ATOM 574 CD ARG A 35 -1.352 -17.635 -1.272 1.00 0.00 C ATOM 575 NE ARG A 35 -2.260 -17.471 -0.143 1.00 0.00 N ATOM 576 CZ ARG A 35 -1.967 -17.846 1.098 1.00 0.00 C ATOM 577 NH1 ARG A 35 -0.764 -18.339 1.384 1.00 0.00 N ATOM 578 NH2 ARG A 35 -2.866 -17.704 2.061 1.00 0.00 N ATOM 0 H ARG A 35 0.976 -16.717 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.482 -15.436 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.805 -17.634 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.448 -16.870 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.388 -15.570 -1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.552 -16.571 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.520 -18.608 -1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.323 -17.626 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.171 -17.045 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.062 -18.430 0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.544 -18.625 2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.782 -17.307 1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.642 -17.991 3.014 1.00 0.00 H new ATOM 592 N LEU A 36 1.075 -14.150 -3.281 1.00 0.00 N ATOM 593 CA LEU A 36 1.554 -12.990 -2.539 1.00 0.00 C ATOM 594 C LEU A 36 1.358 -11.705 -3.327 1.00 0.00 C ATOM 595 O LEU A 36 0.881 -10.706 -2.789 1.00 0.00 O ATOM 596 CB LEU A 36 3.032 -13.162 -2.196 1.00 0.00 C ATOM 597 CG LEU A 36 3.353 -14.349 -1.290 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.855 -14.499 -1.120 1.00 0.00 C ATOM 599 CD2 LEU A 36 2.673 -14.191 0.058 1.00 0.00 C ATOM 0 H LEU A 36 1.791 -14.855 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 36 0.970 -12.918 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.594 -13.270 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.386 -12.251 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 36 2.970 -15.255 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.065 -15.350 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.317 -14.663 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.263 -13.593 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.914 -15.046 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.023 -13.277 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.594 -14.137 -0.083 1.00 0.00 H new ATOM 611 N ASN A 37 1.725 -11.738 -4.604 1.00 0.00 N ATOM 612 CA ASN A 37 1.589 -10.570 -5.471 1.00 0.00 C ATOM 613 C ASN A 37 0.125 -10.144 -5.556 1.00 0.00 C ATOM 614 O ASN A 37 -0.198 -8.962 -5.436 1.00 0.00 O ATOM 615 CB ASN A 37 2.123 -10.874 -6.875 1.00 0.00 C ATOM 616 CG ASN A 37 2.278 -9.624 -7.724 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.589 -8.549 -7.217 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.065 -9.758 -9.023 1.00 0.00 N ATOM 0 H ASN A 37 2.119 -12.560 -5.062 1.00 0.00 H new ATOM 0 HA ASN A 37 2.174 -9.756 -5.043 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.088 -11.375 -6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.446 -11.567 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.158 -8.952 -9.641 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.808 -10.668 -9.407 1.00 0.00 H new ATOM 625 N GLN A 38 -0.755 -11.128 -5.729 1.00 0.00 N ATOM 626 CA GLN A 38 -2.183 -10.894 -5.806 1.00 0.00 C ATOM 627 C GLN A 38 -2.728 -10.328 -4.494 1.00 0.00 C ATOM 628 O GLN A 38 -3.613 -9.470 -4.496 1.00 0.00 O ATOM 629 CB GLN A 38 -2.870 -12.212 -6.151 1.00 0.00 C ATOM 630 CG GLN A 38 -3.170 -12.377 -7.633 1.00 0.00 C ATOM 631 CD GLN A 38 -4.384 -11.582 -8.076 1.00 0.00 C ATOM 632 OE1 GLN A 38 -4.713 -10.544 -7.500 1.00 0.00 O ATOM 633 NE2 GLN A 38 -5.060 -12.064 -9.106 1.00 0.00 N ATOM 0 H GLN A 38 -0.491 -12.109 -5.819 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.385 -10.154 -6.580 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.238 -13.037 -5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.802 -12.283 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.303 -12.061 -8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.332 -13.432 -7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.756 -12.927 -9.557 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.885 -11.573 -9.449 1.00 0.00 H new ATOM 642 N GLU A 39 -2.185 -10.811 -3.381 1.00 0.00 N ATOM 643 CA GLU A 39 -2.565 -10.332 -2.056 1.00 0.00 C ATOM 644 C GLU A 39 -2.261 -8.841 -1.925 1.00 0.00 C ATOM 645 O GLU A 39 -3.088 -8.063 -1.439 1.00 0.00 O ATOM 646 CB GLU A 39 -1.808 -11.117 -0.979 1.00 0.00 C ATOM 647 CG GLU A 39 -2.218 -10.775 0.445 1.00 0.00 C ATOM 648 CD GLU A 39 -3.565 -11.356 0.819 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.597 -10.821 0.371 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.592 -12.358 1.566 1.00 0.00 O ATOM 0 H GLU A 39 -1.473 -11.541 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.636 -10.485 -1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.965 -12.183 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.740 -10.931 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.462 -11.147 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.249 -9.692 0.560 1.00 0.00 H new ATOM 657 N ILE A 40 -1.070 -8.453 -2.378 1.00 0.00 N ATOM 658 CA ILE A 40 -0.633 -7.064 -2.313 1.00 0.00 C ATOM 659 C ILE A 40 -1.517 -6.175 -3.183 1.00 0.00 C ATOM 660 O ILE A 40 -2.034 -5.157 -2.718 1.00 0.00 O ATOM 661 CB ILE A 40 0.840 -6.911 -2.764 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.755 -7.784 -1.901 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.273 -5.452 -2.690 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.204 -7.773 -2.340 1.00 0.00 C ATOM 0 H ILE A 40 -0.389 -9.087 -2.796 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.716 -6.752 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 40 0.920 -7.242 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.696 -7.444 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.387 -8.810 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.311 -5.364 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.639 -4.851 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.179 -5.096 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.789 -8.414 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.277 -8.142 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.591 -6.755 -2.293 1.00 0.00 H new ATOM 676 N VAL A 41 -1.704 -6.581 -4.438 1.00 0.00 N ATOM 677 CA VAL A 41 -2.504 -5.808 -5.386 1.00 0.00 C ATOM 678 C VAL A 41 -3.919 -5.594 -4.861 1.00 0.00 C ATOM 679 O VAL A 41 -4.453 -4.487 -4.922 1.00 0.00 O ATOM 680 CB VAL A 41 -2.577 -6.502 -6.767 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.430 -5.698 -7.739 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.185 -6.710 -7.337 1.00 0.00 C ATOM 0 H VAL A 41 -1.312 -7.441 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.010 -4.843 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.045 -7.476 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.464 -6.209 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.441 -5.603 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.996 -4.707 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.259 -7.199 -8.308 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.692 -5.745 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.604 -7.335 -6.659 1.00 0.00 H new ATOM 692 N LYS A 42 -4.508 -6.662 -4.333 1.00 0.00 N ATOM 693 CA LYS A 42 -5.876 -6.624 -3.829 1.00 0.00 C ATOM 694 C LYS A 42 -6.022 -5.595 -2.709 1.00 0.00 C ATOM 695 O LYS A 42 -6.986 -4.826 -2.680 1.00 0.00 O ATOM 696 CB LYS A 42 -6.275 -8.015 -3.330 1.00 0.00 C ATOM 697 CG LYS A 42 -7.751 -8.162 -3.005 1.00 0.00 C ATOM 698 CD LYS A 42 -8.078 -9.596 -2.631 1.00 0.00 C ATOM 699 CE LYS A 42 -9.572 -9.817 -2.476 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.878 -11.238 -2.170 1.00 0.00 N ATOM 0 H LYS A 42 -4.055 -7.571 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.539 -6.326 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.007 -8.751 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.693 -8.249 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.015 -7.497 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.350 -7.860 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.690 -10.268 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.575 -9.851 -1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.955 -9.180 -1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.083 -9.522 -3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.906 -11.358 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.533 -11.842 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.410 -11.511 -1.282 1.00 0.00 H new ATOM 714 N ALA A 43 -5.052 -5.569 -1.804 1.00 0.00 N ATOM 715 CA ALA A 43 -5.076 -4.643 -0.678 1.00 0.00 C ATOM 716 C ALA A 43 -4.885 -3.205 -1.149 1.00 0.00 C ATOM 717 O ALA A 43 -5.637 -2.311 -0.763 1.00 0.00 O ATOM 718 CB ALA A 43 -4.005 -5.018 0.336 1.00 0.00 C ATOM 0 H ALA A 43 -4.236 -6.181 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.053 -4.714 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.034 -4.318 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.188 -6.028 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.024 -4.976 -0.138 1.00 0.00 H new ATOM 724 N GLU A 44 -3.882 -2.999 -1.998 1.00 0.00 N ATOM 725 CA GLU A 44 -3.580 -1.676 -2.542 1.00 0.00 C ATOM 726 C GLU A 44 -4.766 -1.122 -3.322 1.00 0.00 C ATOM 727 O GLU A 44 -5.120 0.050 -3.191 1.00 0.00 O ATOM 728 CB GLU A 44 -2.359 -1.754 -3.460 1.00 0.00 C ATOM 729 CG GLU A 44 -1.062 -2.060 -2.732 1.00 0.00 C ATOM 730 CD GLU A 44 -0.395 -0.821 -2.172 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.227 -0.071 -2.938 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.438 -0.579 -0.966 1.00 0.00 O ATOM 0 H GLU A 44 -3.259 -3.737 -2.327 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.369 -1.008 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.531 -2.522 -4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.253 -0.807 -3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.263 -2.757 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.376 -2.558 -3.417 1.00 0.00 H new ATOM 739 N LYS A 45 -5.378 -1.977 -4.129 1.00 0.00 N ATOM 740 CA LYS A 45 -6.508 -1.583 -4.960 1.00 0.00 C ATOM 741 C LYS A 45 -7.676 -1.131 -4.089 1.00 0.00 C ATOM 742 O LYS A 45 -8.335 -0.130 -4.384 1.00 0.00 O ATOM 743 CB LYS A 45 -6.920 -2.757 -5.854 1.00 0.00 C ATOM 744 CG LYS A 45 -7.544 -2.351 -7.182 1.00 0.00 C ATOM 745 CD LYS A 45 -8.973 -1.848 -7.027 1.00 0.00 C ATOM 746 CE LYS A 45 -9.542 -1.379 -8.358 1.00 0.00 C ATOM 747 NZ LYS A 45 -9.542 -2.466 -9.374 1.00 0.00 N ATOM 0 H LYS A 45 -5.108 -2.956 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.215 -0.745 -5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.042 -3.372 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.629 -3.381 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.936 -1.572 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.534 -3.204 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.599 -2.643 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.996 -1.027 -6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.560 -1.019 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.956 -0.537 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.129 -2.183 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.568 -2.641 -9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.929 -3.335 -8.953 1.00 0.00 H new ATOM 761 N GLN A 46 -7.918 -1.865 -3.009 1.00 0.00 N ATOM 762 CA GLN A 46 -8.983 -1.521 -2.077 1.00 0.00 C ATOM 763 C GLN A 46 -8.662 -0.210 -1.377 1.00 0.00 C ATOM 764 O GLN A 46 -9.543 0.621 -1.148 1.00 0.00 O ATOM 765 CB GLN A 46 -9.166 -2.631 -1.044 1.00 0.00 C ATOM 766 CG GLN A 46 -10.426 -2.474 -0.207 1.00 0.00 C ATOM 767 CD GLN A 46 -11.683 -2.395 -1.057 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.757 -2.984 -2.134 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.671 -1.656 -0.583 1.00 0.00 N ATOM 0 H GLN A 46 -7.391 -2.701 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.911 -1.407 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.196 -3.593 -1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.299 -2.649 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.509 -3.316 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.345 -1.573 0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.569 -1.184 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.535 -1.558 -1.115 1.00 0.00 H new ATOM 778 N GLY A 47 -7.389 -0.029 -1.059 1.00 0.00 N ATOM 779 CA GLY A 47 -6.943 1.200 -0.432 1.00 0.00 C ATOM 780 C GLY A 47 -7.255 2.415 -1.280 1.00 0.00 C ATOM 781 O GLY A 47 -7.773 3.408 -0.776 1.00 0.00 O ATOM 0 H GLY A 47 -6.652 -0.715 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.422 1.305 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.869 1.148 -0.255 1.00 0.00 H new ATOM 785 N VAL A 48 -6.973 2.322 -2.574 1.00 0.00 N ATOM 786 CA VAL A 48 -7.276 3.402 -3.508 1.00 0.00 C ATOM 787 C VAL A 48 -8.768 3.736 -3.482 1.00 0.00 C ATOM 788 O VAL A 48 -9.159 4.904 -3.519 1.00 0.00 O ATOM 789 CB VAL A 48 -6.859 3.030 -4.950 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.184 4.155 -5.922 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.380 2.691 -5.007 1.00 0.00 C ATOM 0 H VAL A 48 -6.533 1.507 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.705 4.275 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.430 2.150 -5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.880 3.866 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.257 4.349 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.649 5.057 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.105 2.432 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.797 3.552 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.175 1.845 -4.351 1.00 0.00 H new ATOM 801 N LYS A 49 -9.594 2.701 -3.395 1.00 0.00 N ATOM 802 CA LYS A 49 -11.042 2.869 -3.351 1.00 0.00 C ATOM 803 C LYS A 49 -11.458 3.656 -2.111 1.00 0.00 C ATOM 804 O LYS A 49 -12.287 4.566 -2.183 1.00 0.00 O ATOM 805 CB LYS A 49 -11.718 1.498 -3.355 1.00 0.00 C ATOM 806 CG LYS A 49 -13.234 1.549 -3.436 1.00 0.00 C ATOM 807 CD LYS A 49 -13.703 2.279 -4.682 1.00 0.00 C ATOM 808 CE LYS A 49 -15.207 2.167 -4.856 1.00 0.00 C ATOM 809 NZ LYS A 49 -15.961 2.760 -3.717 1.00 0.00 N ATOM 0 H LYS A 49 -9.284 1.730 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.356 3.430 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.340 0.922 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.432 0.962 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.633 0.535 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.630 2.047 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.420 3.330 -4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.202 1.866 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.500 2.666 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.480 1.117 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.981 2.718 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.756 2.225 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.674 3.751 -3.589 1.00 0.00 H new ATOM 823 N VAL A 50 -10.872 3.298 -0.977 1.00 0.00 N ATOM 824 CA VAL A 50 -11.170 3.963 0.285 1.00 0.00 C ATOM 825 C VAL A 50 -10.630 5.393 0.292 1.00 0.00 C ATOM 826 O VAL A 50 -11.331 6.328 0.679 1.00 0.00 O ATOM 827 CB VAL A 50 -10.580 3.186 1.485 1.00 0.00 C ATOM 828 CG1 VAL A 50 -10.917 3.878 2.799 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.087 1.751 1.491 1.00 0.00 C ATOM 0 H VAL A 50 -10.185 2.548 -0.905 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.255 3.990 0.384 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.495 3.170 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.491 3.312 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.502 4.886 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.000 3.932 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.662 1.219 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.174 1.750 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.788 1.256 0.567 1.00 0.00 H new ATOM 839 N TYR A 51 -9.393 5.561 -0.157 1.00 0.00 N ATOM 840 CA TYR A 51 -8.752 6.870 -0.166 1.00 0.00 C ATOM 841 C TYR A 51 -9.456 7.842 -1.107 1.00 0.00 C ATOM 842 O TYR A 51 -9.525 9.035 -0.825 1.00 0.00 O ATOM 843 CB TYR A 51 -7.269 6.748 -0.524 1.00 0.00 C ATOM 844 CG TYR A 51 -6.389 6.431 0.665 1.00 0.00 C ATOM 845 CD1 TYR A 51 -6.345 5.153 1.206 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.609 7.419 1.255 1.00 0.00 C ATOM 847 CE1 TYR A 51 -5.550 4.868 2.297 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.811 7.139 2.346 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.787 5.864 2.862 1.00 0.00 C ATOM 850 OH TYR A 51 -3.998 5.584 3.949 1.00 0.00 O ATOM 0 H TYR A 51 -8.812 4.805 -0.521 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.833 7.276 0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.147 5.968 -1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.934 7.681 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.943 4.369 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.628 8.421 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.527 3.868 2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.209 7.917 2.792 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.439 4.911 4.508 1.00 0.00 H new ATOM 860 N LYS A 52 -9.975 7.343 -2.223 1.00 0.00 N ATOM 861 CA LYS A 52 -10.743 8.187 -3.138 1.00 0.00 C ATOM 862 C LYS A 52 -11.990 8.717 -2.439 1.00 0.00 C ATOM 863 O LYS A 52 -12.326 9.897 -2.549 1.00 0.00 O ATOM 864 CB LYS A 52 -11.132 7.407 -4.400 1.00 0.00 C ATOM 865 CG LYS A 52 -10.567 7.982 -5.697 1.00 0.00 C ATOM 866 CD LYS A 52 -11.392 9.151 -6.242 1.00 0.00 C ATOM 867 CE LYS A 52 -11.255 10.412 -5.398 1.00 0.00 C ATOM 868 NZ LYS A 52 -12.005 11.558 -5.978 1.00 0.00 N ATOM 0 H LYS A 52 -9.881 6.371 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.119 9.030 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.791 6.377 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.219 7.377 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.544 8.316 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.523 7.194 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.078 9.367 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.442 8.860 -6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.619 10.214 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.201 10.676 -5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.055 12.328 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.517 11.895 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.968 11.253 -6.227 1.00 0.00 H new ATOM 882 N GLU A 53 -12.658 7.834 -1.709 1.00 0.00 N ATOM 883 CA GLU A 53 -13.829 8.198 -0.926 1.00 0.00 C ATOM 884 C GLU A 53 -13.455 9.250 0.116 1.00 0.00 C ATOM 885 O GLU A 53 -14.133 10.266 0.268 1.00 0.00 O ATOM 886 CB GLU A 53 -14.375 6.943 -0.247 1.00 0.00 C ATOM 887 CG GLU A 53 -15.850 6.695 -0.489 1.00 0.00 C ATOM 888 CD GLU A 53 -16.738 7.515 0.419 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.798 7.206 1.628 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.394 8.454 -0.069 1.00 0.00 O ATOM 0 H GLU A 53 -12.404 6.848 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.594 8.621 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.811 6.079 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.203 7.021 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.087 6.926 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.065 5.637 -0.341 1.00 0.00 H new ATOM 897 N ALA A 54 -12.349 9.005 0.812 1.00 0.00 N ATOM 898 CA ALA A 54 -11.856 9.920 1.839 1.00 0.00 C ATOM 899 C ALA A 54 -11.433 11.262 1.244 1.00 0.00 C ATOM 900 O ALA A 54 -11.580 12.300 1.880 1.00 0.00 O ATOM 901 CB ALA A 54 -10.696 9.285 2.592 1.00 0.00 C ATOM 0 H ALA A 54 -11.772 8.174 0.683 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.673 10.112 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.336 9.975 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.031 8.363 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.888 9.062 1.895 1.00 0.00 H new ATOM 907 N ALA A 55 -10.905 11.232 0.025 1.00 0.00 N ATOM 908 CA ALA A 55 -10.458 12.446 -0.650 1.00 0.00 C ATOM 909 C ALA A 55 -11.615 13.411 -0.875 1.00 0.00 C ATOM 910 O ALA A 55 -11.458 14.625 -0.743 1.00 0.00 O ATOM 911 CB ALA A 55 -9.797 12.102 -1.974 1.00 0.00 C ATOM 0 H ALA A 55 -10.776 10.378 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.728 12.937 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.469 13.018 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.936 11.458 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.511 11.583 -2.613 1.00 0.00 H new ATOM 917 N GLU A 56 -12.780 12.873 -1.208 1.00 0.00 N ATOM 918 CA GLU A 56 -13.957 13.702 -1.417 1.00 0.00 C ATOM 919 C GLU A 56 -14.497 14.186 -0.080 1.00 0.00 C ATOM 920 O GLU A 56 -15.050 15.278 0.027 1.00 0.00 O ATOM 921 CB GLU A 56 -15.035 12.931 -2.176 1.00 0.00 C ATOM 922 CG GLU A 56 -14.581 12.445 -3.541 1.00 0.00 C ATOM 923 CD GLU A 56 -14.050 13.567 -4.414 1.00 0.00 C ATOM 924 OE1 GLU A 56 -14.864 14.320 -4.980 1.00 0.00 O ATOM 925 OE2 GLU A 56 -12.811 13.693 -4.539 1.00 0.00 O ATOM 0 H GLU A 56 -12.934 11.873 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.670 14.565 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.347 12.074 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.910 13.570 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.805 11.690 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.417 11.961 -4.046 1.00 0.00 H new ATOM 932 N LYS A 57 -14.291 13.376 0.945 1.00 0.00 N ATOM 933 CA LYS A 57 -14.738 13.697 2.288 1.00 0.00 C ATOM 934 C LYS A 57 -13.673 14.473 3.053 1.00 0.00 C ATOM 935 O LYS A 57 -13.786 14.673 4.263 1.00 0.00 O ATOM 936 CB LYS A 57 -15.095 12.412 3.022 1.00 0.00 C ATOM 937 CG LYS A 57 -16.393 11.792 2.541 1.00 0.00 C ATOM 938 CD LYS A 57 -16.652 10.449 3.190 1.00 0.00 C ATOM 939 CE LYS A 57 -18.038 9.935 2.847 1.00 0.00 C ATOM 940 NZ LYS A 57 -18.242 8.555 3.344 1.00 0.00 N ATOM 0 H LYS A 57 -13.810 12.480 0.869 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.621 14.333 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.287 11.692 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.172 12.620 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.221 12.467 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.358 11.671 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.902 9.731 2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.551 10.539 4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.790 10.594 3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.179 9.959 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.258 8.384 3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.870 7.877 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.741 8.434 4.247 1.00 0.00 H new ATOM 954 N ALA A 58 -12.646 14.910 2.338 1.00 0.00 N ATOM 955 CA ALA A 58 -11.585 15.701 2.935 1.00 0.00 C ATOM 956 C ALA A 58 -12.087 17.094 3.274 1.00 0.00 C ATOM 957 O ALA A 58 -12.597 17.808 2.408 1.00 0.00 O ATOM 958 CB ALA A 58 -10.387 15.781 2.005 1.00 0.00 C ATOM 0 H ALA A 58 -12.527 14.728 1.341 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.271 15.212 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.603 16.378 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.010 14.777 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.686 16.245 1.065 1.00 0.00 H new ATOM 964 N ARG A 59 -11.949 17.463 4.538 1.00 0.00 N ATOM 965 CA ARG A 59 -12.411 18.758 5.023 1.00 0.00 C ATOM 966 C ARG A 59 -11.545 19.896 4.492 1.00 0.00 C ATOM 967 O ARG A 59 -12.058 20.897 3.993 1.00 0.00 O ATOM 968 CB ARG A 59 -12.442 18.773 6.556 1.00 0.00 C ATOM 969 CG ARG A 59 -11.328 17.964 7.197 1.00 0.00 C ATOM 970 CD ARG A 59 -11.445 17.949 8.710 1.00 0.00 C ATOM 971 NE ARG A 59 -10.771 16.790 9.293 1.00 0.00 N ATOM 972 CZ ARG A 59 -10.278 16.745 10.528 1.00 0.00 C ATOM 973 NH1 ARG A 59 -10.319 17.814 11.316 1.00 0.00 N ATOM 974 NH2 ARG A 59 -9.747 15.616 10.977 1.00 0.00 N ATOM 0 H ARG A 59 -11.517 16.879 5.254 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.423 18.913 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.375 19.805 6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.402 18.385 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -11.357 16.942 6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.363 18.382 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.014 18.864 9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.497 17.939 8.994 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.672 15.957 8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.732 18.683 10.976 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.938 17.766 12.261 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.719 14.792 10.377 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.367 15.572 11.922 1.00 0.00 H new ATOM 988 N ASN A 60 -10.232 19.739 4.586 1.00 0.00 N ATOM 989 CA ASN A 60 -9.316 20.773 4.124 1.00 0.00 C ATOM 990 C ASN A 60 -8.606 20.321 2.857 1.00 0.00 C ATOM 991 O ASN A 60 -8.208 19.161 2.749 1.00 0.00 O ATOM 992 CB ASN A 60 -8.266 21.122 5.195 1.00 0.00 C ATOM 993 CG ASN A 60 -8.856 21.675 6.482 1.00 0.00 C ATOM 994 OD1 ASN A 60 -9.899 21.231 6.954 1.00 0.00 O ATOM 995 ND2 ASN A 60 -8.189 22.666 7.053 1.00 0.00 N ATOM 0 H ASN A 60 -9.779 18.912 4.975 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.909 21.664 3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.688 20.228 5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.571 21.853 4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.539 23.087 7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.326 23.009 6.632 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.436 21.226 1.878 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.680 20.931 0.654 1.00 0.00 C ATOM 1004 C PRO A 61 -6.236 20.564 0.978 1.00 0.00 C ATOM 1005 O PRO A 61 -5.588 19.813 0.251 1.00 0.00 O ATOM 1006 CB PRO A 61 -7.741 22.242 -0.138 1.00 0.00 C ATOM 1007 CG PRO A 61 -8.905 22.983 0.425 1.00 0.00 C ATOM 1008 CD PRO A 61 -8.975 22.596 1.875 1.00 0.00 C ATOM 0 HA PRO A 61 -8.088 20.083 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.819 22.813 -0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.872 22.053 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.774 24.059 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.826 22.718 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.383 23.264 2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.997 22.629 2.253 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.757 21.094 2.099 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.426 20.786 2.605 1.00 0.00 C ATOM 1018 C GLU A 62 -4.314 19.306 2.920 1.00 0.00 C ATOM 1019 O GLU A 62 -3.343 18.640 2.562 1.00 0.00 O ATOM 1020 CB GLU A 62 -4.197 21.572 3.888 1.00 0.00 C ATOM 1021 CG GLU A 62 -2.806 21.420 4.473 1.00 0.00 C ATOM 1022 CD GLU A 62 -2.689 22.059 5.840 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -3.118 21.437 6.833 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -2.173 23.189 5.932 1.00 0.00 O ATOM 0 H GLU A 62 -6.281 21.748 2.681 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.686 21.052 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.382 22.628 3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.928 21.253 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.558 20.361 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.079 21.872 3.799 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.335 18.803 3.587 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.385 17.398 3.964 1.00 0.00 C ATOM 1033 C LYS A 63 -5.680 16.544 2.738 1.00 0.00 C ATOM 1034 O LYS A 63 -5.206 15.413 2.626 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.441 17.153 5.049 1.00 0.00 C ATOM 1036 CG LYS A 63 -6.324 18.074 6.261 1.00 0.00 C ATOM 1037 CD LYS A 63 -4.897 18.154 6.786 1.00 0.00 C ATOM 1038 CE LYS A 63 -4.825 18.941 8.086 1.00 0.00 C ATOM 1039 NZ LYS A 63 -3.434 19.347 8.421 1.00 0.00 N ATOM 0 H LYS A 63 -6.146 19.347 3.881 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.414 17.118 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.431 17.275 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.366 16.119 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.667 19.073 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.981 17.715 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.510 17.148 6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.259 18.625 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.452 19.829 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.231 18.337 8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.407 19.729 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.806 18.520 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.115 20.076 7.752 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.451 17.104 1.810 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.764 16.416 0.567 1.00 0.00 C ATOM 1055 C ARG A 64 -5.503 16.202 -0.263 1.00 0.00 C ATOM 1056 O ARG A 64 -5.363 15.173 -0.913 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.810 17.187 -0.245 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.122 16.535 -1.584 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.261 17.229 -2.313 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.380 16.749 -3.689 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.407 16.039 -4.160 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -11.434 15.741 -3.380 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -10.411 15.631 -5.423 1.00 0.00 N ATOM 0 H ARG A 64 -6.868 18.031 1.897 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.183 15.443 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.728 17.266 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.453 18.203 -0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.230 16.551 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.380 15.488 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.196 17.053 -1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.093 18.306 -2.314 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.623 16.973 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.445 16.055 -2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.214 15.198 -3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.628 15.860 -6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.197 15.088 -5.781 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.588 17.170 -0.231 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.315 17.049 -0.944 1.00 0.00 C ATOM 1079 C GLN A 65 -2.593 15.774 -0.538 1.00 0.00 C ATOM 1080 O GLN A 65 -2.120 15.018 -1.384 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.418 18.250 -0.646 1.00 0.00 C ATOM 1082 CG GLN A 65 -1.080 18.201 -1.369 1.00 0.00 C ATOM 1083 CD GLN A 65 -0.134 19.309 -0.949 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -0.184 19.798 0.181 1.00 0.00 O ATOM 1085 NE2 GLN A 65 0.745 19.704 -1.854 1.00 0.00 N ATOM 0 H GLN A 65 -4.703 18.045 0.280 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.531 17.015 -2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.941 19.164 -0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.240 18.303 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.607 17.237 -1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.252 18.267 -2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.754 19.273 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.415 20.439 -1.628 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.521 15.545 0.764 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.868 14.358 1.299 1.00 0.00 C ATOM 1096 C VAL A 66 -2.548 13.092 0.778 1.00 0.00 C ATOM 1097 O VAL A 66 -1.888 12.186 0.267 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.889 14.360 2.842 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -1.130 13.163 3.395 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.312 15.663 3.382 1.00 0.00 C ATOM 0 H VAL A 66 -2.908 16.168 1.473 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.830 14.372 0.965 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.926 14.282 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.158 13.186 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.593 12.243 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.094 13.202 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.335 15.647 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.282 15.773 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.906 16.502 3.019 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.871 13.051 0.879 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.644 11.899 0.427 1.00 0.00 C ATOM 1112 C ILE A 67 -4.499 11.695 -1.084 1.00 0.00 C ATOM 1113 O ILE A 67 -4.266 10.583 -1.554 1.00 0.00 O ATOM 1114 CB ILE A 67 -6.138 12.065 0.776 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.310 12.290 2.280 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.923 10.843 0.330 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.741 12.552 2.698 1.00 0.00 C ATOM 0 H ILE A 67 -4.434 13.806 1.272 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.250 11.024 0.943 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.525 12.937 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.940 11.415 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.692 13.134 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.975 10.974 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.822 10.719 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.536 9.958 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.783 12.702 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.110 13.445 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.362 11.698 2.426 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.624 12.785 -1.826 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.533 12.762 -3.284 1.00 0.00 C ATOM 1131 C ASP A 68 -3.153 12.282 -3.724 1.00 0.00 C ATOM 1132 O ASP A 68 -3.022 11.524 -4.687 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.808 14.169 -3.827 1.00 0.00 C ATOM 1134 CG ASP A 68 -5.104 14.198 -5.311 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -4.157 14.123 -6.120 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -6.291 14.338 -5.679 1.00 0.00 O ATOM 0 H ASP A 68 -4.792 13.713 -1.437 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.275 12.069 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.652 14.599 -3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.945 14.803 -3.625 1.00 0.00 H new ATOM 1141 N LYS A 69 -2.127 12.723 -3.002 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.761 12.282 -3.254 1.00 0.00 C ATOM 1143 C LYS A 69 -0.649 10.768 -3.086 1.00 0.00 C ATOM 1144 O LYS A 69 -0.132 10.075 -3.963 1.00 0.00 O ATOM 1145 CB LYS A 69 0.192 12.979 -2.278 1.00 0.00 C ATOM 1146 CG LYS A 69 1.624 12.472 -2.332 1.00 0.00 C ATOM 1147 CD LYS A 69 2.441 13.003 -1.165 1.00 0.00 C ATOM 1148 CE LYS A 69 3.848 12.427 -1.159 1.00 0.00 C ATOM 1149 NZ LYS A 69 4.635 12.888 0.017 1.00 0.00 N ATOM 0 H LYS A 69 -2.218 13.389 -2.234 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.492 12.542 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.190 14.049 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.188 12.852 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.627 11.382 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.085 12.778 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.493 14.090 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.942 12.755 -0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.794 11.338 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.362 12.717 -2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.528 12.358 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.840 13.903 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.088 12.726 0.886 1.00 0.00 H new ATOM 1163 N ILE A 70 -1.197 10.265 -1.986 1.00 0.00 N ATOM 1164 CA ILE A 70 -1.148 8.840 -1.672 1.00 0.00 C ATOM 1165 C ILE A 70 -1.970 8.039 -2.677 1.00 0.00 C ATOM 1166 O ILE A 70 -1.585 6.941 -3.078 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.654 8.564 -0.236 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.775 9.302 0.776 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.665 7.069 0.062 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.249 9.175 2.209 1.00 0.00 C ATOM 0 H ILE A 70 -1.685 10.828 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.107 8.524 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.677 8.930 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.243 8.919 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.738 10.358 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.025 6.903 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.323 6.562 -0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.655 6.671 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.575 9.725 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.255 9.585 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.259 8.124 2.497 1.00 0.00 H new ATOM 1182 N LEU A 71 -3.090 8.617 -3.086 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.986 7.995 -4.048 1.00 0.00 C ATOM 1184 C LEU A 71 -3.251 7.627 -5.330 1.00 0.00 C ATOM 1185 O LEU A 71 -3.415 6.528 -5.859 1.00 0.00 O ATOM 1186 CB LEU A 71 -5.131 8.959 -4.364 1.00 0.00 C ATOM 1187 CG LEU A 71 -6.430 8.702 -3.604 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.431 9.815 -3.874 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.014 7.361 -4.012 1.00 0.00 C ATOM 0 H LEU A 71 -3.403 9.531 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.380 7.077 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.799 9.975 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.339 8.911 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.213 8.683 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.352 9.617 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.012 10.768 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.647 9.859 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.940 7.186 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.220 7.364 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.302 6.569 -3.782 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.441 8.552 -5.821 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.659 8.315 -7.022 1.00 0.00 C ATOM 1203 C GLU A 72 -0.565 7.284 -6.765 1.00 0.00 C ATOM 1204 O GLU A 72 -0.298 6.424 -7.601 1.00 0.00 O ATOM 1205 CB GLU A 72 -1.024 9.611 -7.509 1.00 0.00 C ATOM 1206 CG GLU A 72 -0.515 9.525 -8.936 1.00 0.00 C ATOM 1207 CD GLU A 72 0.222 10.768 -9.371 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -0.101 11.859 -8.860 1.00 0.00 O ATOM 1209 OE2 GLU A 72 1.133 10.659 -10.220 1.00 0.00 O ATOM 0 H GLU A 72 -2.309 9.474 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.334 7.932 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.756 10.416 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.197 9.873 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.147 8.664 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.357 9.354 -9.607 1.00 0.00 H new ATOM 1216 N ASP A 73 0.073 7.388 -5.607 1.00 0.00 N ATOM 1217 CA ASP A 73 1.195 6.511 -5.271 1.00 0.00 C ATOM 1218 C ASP A 73 0.764 5.057 -5.114 1.00 0.00 C ATOM 1219 O ASP A 73 1.483 4.156 -5.533 1.00 0.00 O ATOM 1220 CB ASP A 73 1.927 6.988 -4.011 1.00 0.00 C ATOM 1221 CG ASP A 73 2.900 8.116 -4.309 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.003 7.833 -4.827 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.568 9.288 -4.048 1.00 0.00 O ATOM 0 H ASP A 73 -0.164 8.068 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 73 1.887 6.563 -6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.198 7.324 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.467 6.152 -3.567 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.403 4.816 -4.533 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.879 3.445 -4.377 1.00 0.00 C ATOM 1230 C GLU A 74 -1.272 2.857 -5.733 1.00 0.00 C ATOM 1231 O GLU A 74 -0.988 1.694 -6.014 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.050 3.366 -3.400 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.736 3.903 -2.011 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.572 3.204 -1.323 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.017 2.215 -1.867 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.197 3.647 -0.214 1.00 0.00 O ATOM 0 H GLU A 74 -1.028 5.534 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.061 2.855 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.891 3.923 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.368 2.327 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.513 4.967 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.624 3.807 -1.387 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.919 3.668 -6.572 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.204 3.298 -7.937 1.00 0.00 C ATOM 1245 C GLU A 75 -0.897 2.972 -8.664 1.00 0.00 C ATOM 1246 O GLU A 75 -0.805 1.988 -9.404 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.953 4.475 -8.573 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.155 4.397 -10.068 1.00 0.00 C ATOM 1249 CD GLU A 75 -1.941 4.880 -10.840 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -1.627 6.078 -10.740 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -1.228 4.029 -11.396 1.00 0.00 O ATOM 0 H GLU A 75 -2.255 4.596 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.824 2.404 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.930 4.558 -8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.409 5.392 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.375 3.367 -10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.022 4.996 -10.347 1.00 0.00 H new ATOM 1258 N LYS A 76 0.114 3.793 -8.401 1.00 0.00 N ATOM 1259 CA LYS A 76 1.450 3.618 -8.956 1.00 0.00 C ATOM 1260 C LYS A 76 2.015 2.253 -8.574 1.00 0.00 C ATOM 1261 O LYS A 76 2.599 1.553 -9.404 1.00 0.00 O ATOM 1262 CB LYS A 76 2.355 4.730 -8.417 1.00 0.00 C ATOM 1263 CG LYS A 76 3.786 4.695 -8.920 1.00 0.00 C ATOM 1264 CD LYS A 76 4.674 5.627 -8.108 1.00 0.00 C ATOM 1265 CE LYS A 76 4.188 7.069 -8.168 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.986 7.961 -7.286 1.00 0.00 N ATOM 0 H LYS A 76 0.028 4.606 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 76 1.401 3.672 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.917 5.693 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.367 4.672 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.171 3.677 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.813 4.985 -9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.697 5.294 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.696 5.572 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.245 7.429 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.139 7.111 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.739 8.952 -7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.779 7.741 -6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.999 7.814 -7.469 1.00 0.00 H new ATOM 1280 N HIS A 77 1.817 1.880 -7.320 1.00 0.00 N ATOM 1281 CA HIS A 77 2.271 0.593 -6.814 1.00 0.00 C ATOM 1282 C HIS A 77 1.573 -0.549 -7.550 1.00 0.00 C ATOM 1283 O HIS A 77 2.215 -1.517 -7.964 1.00 0.00 O ATOM 1284 CB HIS A 77 2.005 0.489 -5.311 1.00 0.00 C ATOM 1285 CG HIS A 77 2.798 1.457 -4.484 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.468 1.731 -3.169 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.906 2.161 -4.819 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.391 2.590 -2.748 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.271 2.874 -3.712 1.00 0.00 N ATOM 0 H HIS A 77 1.340 2.457 -6.627 1.00 0.00 H new ATOM 0 HA HIS A 77 3.344 0.515 -6.988 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.943 0.655 -5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.231 -0.525 -4.981 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.684 1.354 -2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.405 2.159 -5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.425 3.006 -1.752 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.068 3.506 -3.636 1.00 0.00 H new ATOM 1297 N ILE A 78 0.261 -0.421 -7.720 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.523 -1.415 -8.447 1.00 0.00 C ATOM 1299 C ILE A 78 0.018 -1.591 -9.864 1.00 0.00 C ATOM 1300 O ILE A 78 0.102 -2.709 -10.376 1.00 0.00 O ATOM 1301 CB ILE A 78 -2.014 -1.017 -8.525 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.584 -0.814 -7.121 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.815 -2.076 -9.276 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.994 -0.269 -7.115 1.00 0.00 C ATOM 0 H ILE A 78 -0.284 0.364 -7.363 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.439 -2.354 -7.899 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.091 -0.077 -9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.569 -1.766 -6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.937 -0.131 -6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.862 -1.777 -9.320 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.424 -2.178 -10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.732 -3.031 -8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.334 -0.150 -6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.012 0.698 -7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.654 -0.961 -7.638 1.00 0.00 H new ATOM 1316 N GLU A 79 0.399 -0.478 -10.480 1.00 0.00 N ATOM 1317 CA GLU A 79 0.943 -0.481 -11.830 1.00 0.00 C ATOM 1318 C GLU A 79 2.214 -1.335 -11.890 1.00 0.00 C ATOM 1319 O GLU A 79 2.403 -2.116 -12.826 1.00 0.00 O ATOM 1320 CB GLU A 79 1.226 0.963 -12.261 1.00 0.00 C ATOM 1321 CG GLU A 79 1.047 1.232 -13.748 1.00 0.00 C ATOM 1322 CD GLU A 79 2.195 0.719 -14.592 1.00 0.00 C ATOM 1323 OE1 GLU A 79 3.276 1.344 -14.573 1.00 0.00 O ATOM 1324 OE2 GLU A 79 2.018 -0.295 -15.297 1.00 0.00 O ATOM 0 H GLU A 79 0.339 0.449 -10.058 1.00 0.00 H new ATOM 0 HA GLU A 79 0.219 -0.918 -12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.567 1.629 -11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.248 1.217 -11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.121 0.767 -14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.940 2.305 -13.906 1.00 0.00 H new ATOM 1331 N TRP A 80 3.061 -1.207 -10.870 1.00 0.00 N ATOM 1332 CA TRP A 80 4.303 -1.976 -10.799 1.00 0.00 C ATOM 1333 C TRP A 80 4.012 -3.470 -10.678 1.00 0.00 C ATOM 1334 O TRP A 80 4.608 -4.294 -11.372 1.00 0.00 O ATOM 1335 CB TRP A 80 5.148 -1.550 -9.591 1.00 0.00 C ATOM 1336 CG TRP A 80 5.572 -0.111 -9.589 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.564 0.763 -10.638 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.087 0.610 -8.467 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.044 1.986 -10.232 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.369 1.917 -8.902 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.334 0.275 -7.132 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.887 2.887 -8.049 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.848 1.237 -6.285 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.120 2.533 -6.747 1.00 0.00 C ATOM 0 H TRP A 80 2.910 -0.578 -10.081 1.00 0.00 H new ATOM 0 HA TRP A 80 4.853 -1.779 -11.719 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.580 -1.747 -8.682 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.040 -2.176 -9.552 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.230 0.529 -11.638 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.142 2.811 -10.824 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.126 -0.721 -6.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.098 3.886 -8.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.043 0.988 -5.252 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.521 3.266 -6.063 1.00 0.00 H new ATOM 1355 N HIS A 81 3.079 -3.808 -9.796 1.00 0.00 N ATOM 1356 CA HIS A 81 2.738 -5.204 -9.538 1.00 0.00 C ATOM 1357 C HIS A 81 2.021 -5.833 -10.730 1.00 0.00 C ATOM 1358 O HIS A 81 2.118 -7.042 -10.952 1.00 0.00 O ATOM 1359 CB HIS A 81 1.917 -5.331 -8.254 1.00 0.00 C ATOM 1360 CG HIS A 81 2.736 -5.098 -7.018 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.458 -6.082 -6.381 1.00 0.00 N ATOM 1362 CD2 HIS A 81 2.978 -3.954 -6.331 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.110 -5.518 -5.357 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.850 -4.228 -5.282 1.00 0.00 N ATOM 0 H HIS A 81 2.544 -3.135 -9.247 1.00 0.00 H new ATOM 0 HA HIS A 81 3.666 -5.758 -9.396 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.095 -4.615 -8.281 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.473 -6.325 -8.208 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.490 -7.067 -6.643 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.560 -2.985 -6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.763 -6.050 -4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.213 -3.566 -4.596 1.00 0.00 H new ATOM 1372 N LYS A 82 1.295 -5.019 -11.491 1.00 0.00 N ATOM 1373 CA LYS A 82 0.695 -5.474 -12.741 1.00 0.00 C ATOM 1374 C LYS A 82 1.773 -5.972 -13.703 1.00 0.00 C ATOM 1375 O LYS A 82 1.579 -6.963 -14.404 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.103 -4.346 -13.398 1.00 0.00 C ATOM 1377 CG LYS A 82 -1.546 -4.236 -12.931 1.00 0.00 C ATOM 1378 CD LYS A 82 -2.400 -5.365 -13.494 1.00 0.00 C ATOM 1379 CE LYS A 82 -3.887 -5.094 -13.299 1.00 0.00 C ATOM 1380 NZ LYS A 82 -4.738 -6.082 -14.016 1.00 0.00 N ATOM 0 H LYS A 82 1.108 -4.042 -11.264 1.00 0.00 H new ATOM 0 HA LYS A 82 0.018 -6.297 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.402 -3.400 -13.202 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.095 -4.494 -14.478 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.580 -4.260 -11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.958 -3.276 -13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.188 -5.487 -14.556 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.133 -6.302 -13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.122 -5.119 -12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.121 -4.090 -13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.741 -5.858 -13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.534 -6.041 -15.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.535 -7.038 -13.660 1.00 0.00 H new ATOM 1394 N ALA A 83 2.914 -5.287 -13.717 1.00 0.00 N ATOM 1395 CA ALA A 83 4.041 -5.688 -14.555 1.00 0.00 C ATOM 1396 C ALA A 83 4.649 -6.989 -14.042 1.00 0.00 C ATOM 1397 O ALA A 83 5.010 -7.869 -14.824 1.00 0.00 O ATOM 1398 CB ALA A 83 5.093 -4.588 -14.601 1.00 0.00 C ATOM 0 H ALA A 83 3.083 -4.451 -13.157 1.00 0.00 H new ATOM 0 HA ALA A 83 3.675 -5.854 -15.568 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.924 -4.906 -15.230 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.652 -3.680 -15.013 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.456 -4.390 -13.593 1.00 0.00 H new ATOM 1404 N ALA A 84 4.743 -7.102 -12.720 1.00 0.00 N ATOM 1405 CA ALA A 84 5.245 -8.313 -12.077 1.00 0.00 C ATOM 1406 C ALA A 84 4.347 -9.505 -12.392 1.00 0.00 C ATOM 1407 O ALA A 84 4.801 -10.644 -12.433 1.00 0.00 O ATOM 1408 CB ALA A 84 5.350 -8.108 -10.573 1.00 0.00 C ATOM 0 H ALA A 84 4.476 -6.364 -12.069 1.00 0.00 H new ATOM 0 HA ALA A 84 6.240 -8.523 -12.470 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.726 -9.019 -10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.034 -7.285 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.366 -7.873 -10.168 1.00 0.00 H new ATOM 1485 N ALA A 90 12.915 -13.680 -9.040 1.00 0.00 N ATOM 1486 CA ALA A 90 12.783 -13.840 -7.591 1.00 0.00 C ATOM 1487 C ALA A 90 13.414 -12.676 -6.831 1.00 0.00 C ATOM 1488 O ALA A 90 12.780 -12.068 -5.964 1.00 0.00 O ATOM 1489 CB ALA A 90 13.404 -15.158 -7.146 1.00 0.00 C ATOM 0 HA ALA A 90 11.718 -13.848 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.299 -15.264 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.897 -15.985 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.461 -15.169 -7.410 1.00 0.00 H new ATOM 1495 N GLU A 91 14.657 -12.359 -7.169 1.00 0.00 N ATOM 1496 CA GLU A 91 15.386 -11.283 -6.517 1.00 0.00 C ATOM 1497 C GLU A 91 14.686 -9.944 -6.722 1.00 0.00 C ATOM 1498 O GLU A 91 14.518 -9.164 -5.781 1.00 0.00 O ATOM 1499 CB GLU A 91 16.800 -11.215 -7.074 1.00 0.00 C ATOM 1500 CG GLU A 91 17.671 -12.389 -6.668 1.00 0.00 C ATOM 1501 CD GLU A 91 19.035 -12.342 -7.315 1.00 0.00 C ATOM 1502 OE1 GLU A 91 19.932 -11.665 -6.774 1.00 0.00 O ATOM 1503 OE2 GLU A 91 19.217 -12.977 -8.374 1.00 0.00 O ATOM 0 H GLU A 91 15.184 -12.838 -7.899 1.00 0.00 H new ATOM 0 HA GLU A 91 15.421 -11.489 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.751 -11.169 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.270 -10.291 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.786 -12.396 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.173 -13.319 -6.942 1.00 0.00 H new ATOM 1510 N GLN A 92 14.279 -9.693 -7.957 1.00 0.00 N ATOM 1511 CA GLN A 92 13.581 -8.459 -8.307 1.00 0.00 C ATOM 1512 C GLN A 92 12.267 -8.338 -7.545 1.00 0.00 C ATOM 1513 O GLN A 92 11.906 -7.255 -7.087 1.00 0.00 O ATOM 1514 CB GLN A 92 13.312 -8.412 -9.809 1.00 0.00 C ATOM 1515 CG GLN A 92 14.572 -8.445 -10.653 1.00 0.00 C ATOM 1516 CD GLN A 92 14.272 -8.470 -12.134 1.00 0.00 C ATOM 1517 OE1 GLN A 92 13.245 -9.000 -12.562 1.00 0.00 O ATOM 1518 NE2 GLN A 92 15.163 -7.906 -12.929 1.00 0.00 N ATOM 0 H GLN A 92 14.420 -10.331 -8.741 1.00 0.00 H new ATOM 0 HA GLN A 92 14.220 -7.621 -8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.679 -9.256 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.753 -7.506 -10.041 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.183 -7.572 -10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.160 -9.324 -10.389 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.000 -7.478 -12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.014 -7.898 -13.938 1.00 0.00 H new ATOM 1527 N PHE A 93 11.564 -9.454 -7.405 1.00 0.00 N ATOM 1528 CA PHE A 93 10.291 -9.476 -6.699 1.00 0.00 C ATOM 1529 C PHE A 93 10.485 -9.085 -5.237 1.00 0.00 C ATOM 1530 O PHE A 93 9.764 -8.237 -4.713 1.00 0.00 O ATOM 1531 CB PHE A 93 9.651 -10.863 -6.802 1.00 0.00 C ATOM 1532 CG PHE A 93 8.284 -10.954 -6.179 1.00 0.00 C ATOM 1533 CD1 PHE A 93 7.202 -10.306 -6.755 1.00 0.00 C ATOM 1534 CD2 PHE A 93 8.079 -11.690 -5.022 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.944 -10.387 -6.189 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.821 -11.775 -4.452 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.754 -11.122 -5.036 1.00 0.00 C ATOM 0 H PHE A 93 11.856 -10.359 -7.773 1.00 0.00 H new ATOM 0 HA PHE A 93 9.624 -8.750 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.579 -11.142 -7.853 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.306 -11.591 -6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.344 -9.730 -7.658 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.910 -12.203 -4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.111 -9.876 -6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.674 -12.352 -3.551 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.772 -11.186 -4.591 1.00 0.00 H new ATOM 1547 N ALA A 94 11.480 -9.693 -4.595 1.00 0.00 N ATOM 1548 CA ALA A 94 11.799 -9.386 -3.205 1.00 0.00 C ATOM 1549 C ALA A 94 12.199 -7.920 -3.049 1.00 0.00 C ATOM 1550 O ALA A 94 11.841 -7.265 -2.067 1.00 0.00 O ATOM 1551 CB ALA A 94 12.912 -10.298 -2.699 1.00 0.00 C ATOM 0 H ALA A 94 12.079 -10.402 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 94 10.906 -9.561 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.137 -10.055 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.590 -11.337 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.805 -10.154 -3.307 1.00 0.00 H new ATOM 1557 N SER A 95 12.929 -7.406 -4.034 1.00 0.00 N ATOM 1558 CA SER A 95 13.374 -6.027 -4.023 1.00 0.00 C ATOM 1559 C SER A 95 12.187 -5.074 -4.176 1.00 0.00 C ATOM 1560 O SER A 95 12.120 -4.040 -3.512 1.00 0.00 O ATOM 1561 CB SER A 95 14.382 -5.817 -5.148 1.00 0.00 C ATOM 1562 OG SER A 95 15.473 -6.716 -5.026 1.00 0.00 O ATOM 0 H SER A 95 13.224 -7.934 -4.855 1.00 0.00 H new ATOM 0 HA SER A 95 13.851 -5.811 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.893 -5.961 -6.111 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.748 -4.790 -5.127 1.00 0.00 H new ATOM 0 HG SER A 95 15.235 -7.576 -5.432 1.00 0.00 H new ATOM 1568 N LEU A 96 11.248 -5.446 -5.042 1.00 0.00 N ATOM 1569 CA LEU A 96 10.033 -4.668 -5.255 1.00 0.00 C ATOM 1570 C LEU A 96 9.247 -4.558 -3.957 1.00 0.00 C ATOM 1571 O LEU A 96 8.824 -3.474 -3.563 1.00 0.00 O ATOM 1572 CB LEU A 96 9.170 -5.333 -6.335 1.00 0.00 C ATOM 1573 CG LEU A 96 7.808 -4.681 -6.596 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.976 -3.231 -7.023 1.00 0.00 C ATOM 1575 CD2 LEU A 96 7.046 -5.459 -7.657 1.00 0.00 C ATOM 0 H LEU A 96 11.308 -6.290 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 96 10.308 -3.666 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.732 -5.341 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.006 -6.373 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 96 7.236 -4.700 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.996 -2.789 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.485 -2.676 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.567 -3.187 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.080 -4.985 -7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.620 -5.468 -8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.891 -6.483 -7.316 1.00 0.00 H new ATOM 1587 N VAL A 97 9.083 -5.691 -3.296 1.00 0.00 N ATOM 1588 CA VAL A 97 8.355 -5.752 -2.038 1.00 0.00 C ATOM 1589 C VAL A 97 8.988 -4.843 -0.984 1.00 0.00 C ATOM 1590 O VAL A 97 8.293 -4.074 -0.319 1.00 0.00 O ATOM 1591 CB VAL A 97 8.296 -7.197 -1.502 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.598 -7.249 -0.155 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.591 -8.104 -2.497 1.00 0.00 C ATOM 0 H VAL A 97 9.448 -6.590 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 97 7.341 -5.404 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 97 9.319 -7.550 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.570 -8.279 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.142 -6.633 0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.580 -6.873 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.558 -9.120 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.575 -7.745 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.134 -8.099 -3.442 1.00 0.00 H new ATOM 1603 N GLN A 98 10.305 -4.926 -0.844 1.00 0.00 N ATOM 1604 CA GLN A 98 11.012 -4.129 0.154 1.00 0.00 C ATOM 1605 C GLN A 98 10.935 -2.637 -0.174 1.00 0.00 C ATOM 1606 O GLN A 98 10.821 -1.802 0.722 1.00 0.00 O ATOM 1607 CB GLN A 98 12.471 -4.573 0.261 1.00 0.00 C ATOM 1608 CG GLN A 98 13.175 -4.035 1.500 1.00 0.00 C ATOM 1609 CD GLN A 98 14.616 -4.495 1.614 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.283 -4.671 0.483 1.00 0.00 O flip ATOM 1611 NE2 GLN A 98 15.127 -4.681 2.716 1.00 0.00 N flip ATOM 0 H GLN A 98 10.903 -5.533 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 98 10.525 -4.290 1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.512 -5.662 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.010 -4.243 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.148 -2.945 1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.628 -4.352 2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.579 -4.534 3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.099 -4.982 2.783 1.00 0.00 H new ATOM 1620 N GLN A 99 10.993 -2.306 -1.460 1.00 0.00 N ATOM 1621 CA GLN A 99 10.928 -0.914 -1.891 1.00 0.00 C ATOM 1622 C GLN A 99 9.523 -0.364 -1.654 1.00 0.00 C ATOM 1623 O GLN A 99 9.356 0.754 -1.162 1.00 0.00 O ATOM 1624 CB GLN A 99 11.324 -0.808 -3.370 1.00 0.00 C ATOM 1625 CG GLN A 99 11.702 0.598 -3.826 1.00 0.00 C ATOM 1626 CD GLN A 99 10.505 1.497 -4.076 1.00 0.00 C ATOM 1627 OE1 GLN A 99 9.437 1.037 -4.473 1.00 0.00 O ATOM 1628 NE2 GLN A 99 10.682 2.789 -3.856 1.00 0.00 N ATOM 0 H GLN A 99 11.085 -2.980 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 99 11.630 -0.317 -1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.166 -1.475 -3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.495 -1.164 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.339 1.057 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.291 0.528 -4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.585 3.131 -3.526 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.916 3.443 -4.016 1.00 0.00 H new ATOM 1637 N HIS A 100 8.522 -1.173 -1.988 1.00 0.00 N ATOM 1638 CA HIS A 100 7.123 -0.830 -1.754 1.00 0.00 C ATOM 1639 C HIS A 100 6.894 -0.591 -0.259 1.00 0.00 C ATOM 1640 O HIS A 100 6.175 0.328 0.136 1.00 0.00 O ATOM 1641 CB HIS A 100 6.236 -1.979 -2.254 1.00 0.00 C ATOM 1642 CG HIS A 100 4.765 -1.676 -2.321 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.891 -2.341 -3.150 1.00 0.00 N ATOM 1644 CD2 HIS A 100 4.012 -0.785 -1.627 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.667 -1.851 -2.942 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.680 -0.900 -2.024 1.00 0.00 N ATOM 0 H HIS A 100 8.657 -2.083 -2.428 1.00 0.00 H new ATOM 0 HA HIS A 100 6.868 0.082 -2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.575 -2.271 -3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.383 -2.839 -1.601 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.386 -0.096 -0.884 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.780 -2.188 -3.458 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.884 -0.364 -1.679 1.00 0.00 H new ATOM 1654 N LEU A 101 7.537 -1.421 0.560 1.00 0.00 N ATOM 1655 CA LEU A 101 7.435 -1.322 2.012 1.00 0.00 C ATOM 1656 C LEU A 101 7.855 0.064 2.492 1.00 0.00 C ATOM 1657 O LEU A 101 7.163 0.690 3.295 1.00 0.00 O ATOM 1658 CB LEU A 101 8.314 -2.389 2.673 1.00 0.00 C ATOM 1659 CG LEU A 101 8.275 -2.421 4.200 1.00 0.00 C ATOM 1660 CD1 LEU A 101 6.891 -2.809 4.692 1.00 0.00 C ATOM 1661 CD2 LEU A 101 9.323 -3.384 4.735 1.00 0.00 C ATOM 0 H LEU A 101 8.140 -2.177 0.236 1.00 0.00 H new ATOM 0 HA LEU A 101 6.395 -1.485 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.011 -3.367 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.345 -2.232 2.357 1.00 0.00 H new ATOM 0 HG LEU A 101 8.501 -1.422 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.884 -2.826 5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.161 -2.082 4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.634 -3.798 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.284 -3.396 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.125 -4.386 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.313 -3.061 4.411 1.00 0.00 H new ATOM 1673 N GLN A 102 8.983 0.538 1.981 1.00 0.00 N ATOM 1674 CA GLN A 102 9.510 1.832 2.328 1.00 0.00 C ATOM 1675 C GLN A 102 8.519 2.943 2.001 1.00 0.00 C ATOM 1676 O GLN A 102 8.362 3.888 2.770 1.00 0.00 O ATOM 1677 CB GLN A 102 10.815 2.034 1.568 1.00 0.00 C ATOM 1678 CG GLN A 102 11.993 1.286 2.173 1.00 0.00 C ATOM 1679 CD GLN A 102 12.509 1.929 3.452 1.00 0.00 C ATOM 1680 OE1 GLN A 102 11.768 2.593 4.175 1.00 0.00 O ATOM 1681 NE2 GLN A 102 13.785 1.730 3.742 1.00 0.00 N ATOM 0 H GLN A 102 9.555 0.025 1.310 1.00 0.00 H new ATOM 0 HA GLN A 102 9.690 1.874 3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.679 1.708 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.048 3.098 1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.695 0.259 2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.801 1.241 1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.369 1.173 3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.184 2.133 4.590 1.00 0.00 H new ATOM 1690 N ASP A 103 7.835 2.810 0.869 1.00 0.00 N ATOM 1691 CA ASP A 103 6.864 3.813 0.442 1.00 0.00 C ATOM 1692 C ASP A 103 5.723 3.903 1.441 1.00 0.00 C ATOM 1693 O ASP A 103 5.365 4.984 1.905 1.00 0.00 O ATOM 1694 CB ASP A 103 6.289 3.469 -0.933 1.00 0.00 C ATOM 1695 CG ASP A 103 5.982 4.701 -1.761 1.00 0.00 C ATOM 1696 OD1 ASP A 103 5.473 5.695 -1.207 1.00 0.00 O ATOM 1697 OD2 ASP A 103 6.252 4.671 -2.982 1.00 0.00 O ATOM 0 H ASP A 103 7.934 2.020 0.232 1.00 0.00 H new ATOM 0 HA ASP A 103 7.382 4.770 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.998 2.841 -1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.378 2.885 -0.806 1.00 0.00 H new ATOM 1702 N GLU A 104 5.171 2.748 1.788 1.00 0.00 N ATOM 1703 CA GLU A 104 4.027 2.685 2.687 1.00 0.00 C ATOM 1704 C GLU A 104 4.386 3.208 4.071 1.00 0.00 C ATOM 1705 O GLU A 104 3.559 3.830 4.738 1.00 0.00 O ATOM 1706 CB GLU A 104 3.493 1.256 2.785 1.00 0.00 C ATOM 1707 CG GLU A 104 3.097 0.650 1.445 1.00 0.00 C ATOM 1708 CD GLU A 104 2.080 1.479 0.679 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.593 2.503 1.212 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.757 1.119 -0.474 1.00 0.00 O ATOM 0 H GLU A 104 5.498 1.840 1.459 1.00 0.00 H new ATOM 0 HA GLU A 104 3.246 3.322 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.253 0.626 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.627 1.247 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.990 0.529 0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.688 -0.347 1.613 1.00 0.00 H new ATOM 1717 N GLN A 105 5.621 2.967 4.498 1.00 0.00 N ATOM 1718 CA GLN A 105 6.085 3.444 5.783 1.00 0.00 C ATOM 1719 C GLN A 105 6.093 4.969 5.824 1.00 0.00 C ATOM 1720 O GLN A 105 5.775 5.567 6.851 1.00 0.00 O ATOM 1721 CB GLN A 105 7.474 2.886 6.077 1.00 0.00 C ATOM 1722 CG GLN A 105 7.488 1.382 6.287 1.00 0.00 C ATOM 1723 CD GLN A 105 8.860 0.850 6.647 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.882 1.409 6.252 1.00 0.00 O ATOM 1725 NE2 GLN A 105 8.894 -0.234 7.405 1.00 0.00 N ATOM 0 H GLN A 105 6.316 2.442 3.967 1.00 0.00 H new ATOM 0 HA GLN A 105 5.399 3.093 6.554 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.140 3.136 5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.872 3.373 6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.785 1.124 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.140 0.890 5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.024 -0.669 7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.790 -0.635 7.682 1.00 0.00 H new ATOM 1734 N ARG A 106 6.436 5.592 4.697 1.00 0.00 N ATOM 1735 CA ARG A 106 6.399 7.047 4.574 1.00 0.00 C ATOM 1736 C ARG A 106 4.970 7.543 4.718 1.00 0.00 C ATOM 1737 O ARG A 106 4.714 8.533 5.393 1.00 0.00 O ATOM 1738 CB ARG A 106 6.926 7.489 3.210 1.00 0.00 C ATOM 1739 CG ARG A 106 8.286 6.922 2.850 1.00 0.00 C ATOM 1740 CD ARG A 106 8.611 7.184 1.388 1.00 0.00 C ATOM 1741 NE ARG A 106 9.824 6.494 0.962 1.00 0.00 N ATOM 1742 CZ ARG A 106 9.996 5.980 -0.258 1.00 0.00 C ATOM 1743 NH1 ARG A 106 9.018 6.054 -1.157 1.00 0.00 N ATOM 1744 NH2 ARG A 106 11.135 5.369 -0.561 1.00 0.00 N ATOM 0 H ARG A 106 6.744 5.108 3.853 1.00 0.00 H new ATOM 0 HA ARG A 106 7.027 7.466 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.209 7.194 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.983 8.577 3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.051 7.371 3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.301 5.849 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.775 6.862 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.730 8.256 1.230 1.00 0.00 H new ATOM 0 HE ARG A 106 10.584 6.399 1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.135 6.504 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.151 5.661 -2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.875 5.294 0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.270 4.975 -1.492 1.00 0.00 H new ATOM 1758 N HIS A 107 4.047 6.843 4.068 1.00 0.00 N ATOM 1759 CA HIS A 107 2.638 7.213 4.106 1.00 0.00 C ATOM 1760 C HIS A 107 2.140 7.218 5.543 1.00 0.00 C ATOM 1761 O HIS A 107 1.535 8.187 5.992 1.00 0.00 O ATOM 1762 CB HIS A 107 1.792 6.254 3.259 1.00 0.00 C ATOM 1763 CG HIS A 107 2.177 6.217 1.809 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.636 5.297 0.942 1.00 0.00 N ATOM 1765 CD2 HIS A 107 3.056 6.996 1.138 1.00 0.00 C ATOM 1766 CE1 HIS A 107 2.208 5.542 -0.234 1.00 0.00 C ATOM 1767 NE2 HIS A 107 3.077 6.557 -0.163 1.00 0.00 N ATOM 0 H HIS A 107 4.250 6.015 3.508 1.00 0.00 H new ATOM 0 HA HIS A 107 2.538 8.214 3.687 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.877 5.249 3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.744 6.544 3.339 1.00 0.00 H new ATOM 0 HD1 HIS A 107 0.943 4.579 1.155 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.633 7.811 1.549 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.996 4.988 -1.137 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.643 6.931 -0.925 1.00 0.00 H new ATOM 1775 N VAL A 108 2.426 6.140 6.268 1.00 0.00 N ATOM 1776 CA VAL A 108 2.058 6.042 7.675 1.00 0.00 C ATOM 1777 C VAL A 108 2.734 7.153 8.481 1.00 0.00 C ATOM 1778 O VAL A 108 2.100 7.809 9.308 1.00 0.00 O ATOM 1779 CB VAL A 108 2.441 4.665 8.262 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.012 4.550 9.716 1.00 0.00 C ATOM 1781 CG2 VAL A 108 1.822 3.546 7.438 1.00 0.00 C ATOM 0 H VAL A 108 2.912 5.321 5.902 1.00 0.00 H new ATOM 0 HA VAL A 108 0.976 6.154 7.742 1.00 0.00 H new ATOM 0 HB VAL A 108 3.526 4.572 8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.295 3.571 10.102 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.502 5.327 10.303 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.931 4.670 9.787 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.101 2.583 7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.737 3.646 7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.184 3.607 6.412 1.00 0.00 H new ATOM 1791 N GLU A 109 4.013 7.378 8.199 1.00 0.00 N ATOM 1792 CA GLU A 109 4.784 8.439 8.837 1.00 0.00 C ATOM 1793 C GLU A 109 4.131 9.805 8.619 1.00 0.00 C ATOM 1794 O GLU A 109 4.046 10.622 9.541 1.00 0.00 O ATOM 1795 CB GLU A 109 6.209 8.434 8.275 1.00 0.00 C ATOM 1796 CG GLU A 109 7.136 7.436 8.954 1.00 0.00 C ATOM 1797 CD GLU A 109 7.378 7.751 10.415 1.00 0.00 C ATOM 1798 OE1 GLU A 109 8.244 8.599 10.707 1.00 0.00 O ATOM 1799 OE2 GLU A 109 6.713 7.143 11.278 1.00 0.00 O ATOM 0 H GLU A 109 4.544 6.830 7.522 1.00 0.00 H new ATOM 0 HA GLU A 109 4.813 8.255 9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.168 8.210 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.632 9.434 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.709 6.437 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.091 7.420 8.429 1.00 0.00 H new ATOM 1806 N GLU A 110 3.674 10.045 7.398 1.00 0.00 N ATOM 1807 CA GLU A 110 3.019 11.288 7.042 1.00 0.00 C ATOM 1808 C GLU A 110 1.622 11.395 7.663 1.00 0.00 C ATOM 1809 O GLU A 110 1.236 12.457 8.151 1.00 0.00 O ATOM 1810 CB GLU A 110 2.949 11.397 5.516 1.00 0.00 C ATOM 1811 CG GLU A 110 4.300 11.688 4.867 1.00 0.00 C ATOM 1812 CD GLU A 110 4.235 11.811 3.353 1.00 0.00 C ATOM 1813 OE1 GLU A 110 4.361 10.783 2.660 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.087 12.944 2.846 1.00 0.00 O ATOM 0 H GLU A 110 3.749 9.380 6.628 1.00 0.00 H new ATOM 0 HA GLU A 110 3.603 12.117 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.552 10.466 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.247 12.187 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.701 12.613 5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.998 10.893 5.129 1.00 0.00 H new ATOM 1821 N ILE A 111 0.876 10.295 7.648 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.508 10.282 8.125 1.00 0.00 C ATOM 1823 C ILE A 111 -0.617 10.374 9.654 1.00 0.00 C ATOM 1824 O ILE A 111 -1.503 11.054 10.176 1.00 0.00 O ATOM 1825 CB ILE A 111 -1.247 9.012 7.639 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.371 9.016 6.115 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.623 8.906 8.280 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.993 7.752 5.554 1.00 0.00 C ATOM 0 H ILE A 111 1.208 9.392 7.308 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.977 11.171 7.704 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.662 8.143 7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.971 9.873 5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.381 9.149 5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.122 8.005 7.923 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.517 8.856 9.364 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.217 9.780 8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.049 7.825 4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.381 6.893 5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.996 7.628 5.962 1.00 0.00 H new ATOM 1840 N GLU A 112 0.277 9.692 10.371 1.00 0.00 N ATOM 1841 CA GLU A 112 0.185 9.589 11.819 1.00 0.00 C ATOM 1842 C GLU A 112 0.245 10.944 12.518 1.00 0.00 C ATOM 1843 O GLU A 112 -0.283 11.095 13.621 1.00 0.00 O ATOM 1844 CB GLU A 112 1.284 8.682 12.352 1.00 0.00 C ATOM 1845 CG GLU A 112 1.017 7.202 12.136 1.00 0.00 C ATOM 1846 CD GLU A 112 1.977 6.326 12.912 1.00 0.00 C ATOM 1847 OE1 GLU A 112 3.178 6.307 12.575 1.00 0.00 O ATOM 1848 OE2 GLU A 112 1.539 5.671 13.881 1.00 0.00 O ATOM 0 H GLU A 112 1.075 9.202 9.966 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.792 9.159 12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.225 8.946 11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 112 1.409 8.867 13.419 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.005 6.972 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.096 6.972 11.074 1.00 0.00 H new