USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 516 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 Single : A 59 LYS NZ :NH3+ -162:sc= 0.72 (180deg=0.0492) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.0089 F(o=-1.7,f=-0.0089) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0.456 (180deg=0.406) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -70:sc= 1.2 USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= 1.18 (180deg=0.615) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 75:sc= 0.61 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -87:sc= 0.416 USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= 1.25 (180deg=0.877) USER MOD Single : A 107 LYS NZ :NH3+ 169:sc= 1.06 (180deg=0.586) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -0.681 -14.295 -5.716 1.00 0.00 N ATOM 88 CA GLU A 53 -1.519 -13.123 -5.530 1.00 0.00 C ATOM 89 C GLU A 53 -1.595 -12.754 -4.048 1.00 0.00 C ATOM 90 O GLU A 53 -2.202 -13.473 -3.256 1.00 0.00 O ATOM 91 CB GLU A 53 -2.916 -13.348 -6.112 1.00 0.00 C ATOM 92 CG GLU A 53 -2.858 -13.504 -7.633 1.00 0.00 C ATOM 93 CD GLU A 53 -4.263 -13.621 -8.226 1.00 0.00 C ATOM 94 OE1 GLU A 53 -4.859 -14.706 -8.065 1.00 0.00 O ATOM 95 OE2 GLU A 53 -4.710 -12.620 -8.827 1.00 0.00 O ATOM 0 HA GLU A 53 -1.068 -12.290 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.359 -14.239 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.561 -12.508 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.345 -12.648 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.276 -14.389 -7.889 1.00 0.00 H new ATOM 102 N PHE A 54 -0.971 -11.633 -3.715 1.00 0.00 N ATOM 103 CA PHE A 54 -0.982 -11.148 -2.347 1.00 0.00 C ATOM 104 C PHE A 54 -1.699 -9.799 -2.248 1.00 0.00 C ATOM 105 O PHE A 54 -1.908 -9.130 -3.258 1.00 0.00 O ATOM 106 CB PHE A 54 0.478 -10.968 -1.924 1.00 0.00 C ATOM 107 CG PHE A 54 1.395 -12.119 -2.346 1.00 0.00 C ATOM 108 CD1 PHE A 54 0.967 -13.405 -2.234 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.637 -11.855 -2.833 1.00 0.00 C ATOM 110 CE1 PHE A 54 1.818 -14.471 -2.625 1.00 0.00 C ATOM 111 CE2 PHE A 54 3.486 -12.921 -3.225 1.00 0.00 C ATOM 112 CZ PHE A 54 3.060 -14.208 -3.113 1.00 0.00 C ATOM 0 H PHE A 54 -0.454 -11.047 -4.371 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.507 -11.856 -1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.857 -10.040 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.521 -10.861 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.020 -13.615 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.977 -10.834 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.479 -15.492 -2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.472 -12.711 -3.613 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.707 -15.020 -3.411 1.00 0.00 H new ATOM 122 N ASP A 55 -2.055 -9.443 -1.023 1.00 0.00 N ATOM 123 CA ASP A 55 -2.716 -8.173 -0.776 1.00 0.00 C ATOM 124 C ASP A 55 -1.709 -7.187 -0.180 1.00 0.00 C ATOM 125 O ASP A 55 -0.873 -7.567 0.640 1.00 0.00 O ATOM 126 CB ASP A 55 -3.865 -8.336 0.220 1.00 0.00 C ATOM 127 CG ASP A 55 -4.750 -9.562 -0.007 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.851 -9.979 -1.182 1.00 0.00 O ATOM 129 OD2 ASP A 55 -5.307 -10.056 0.997 1.00 0.00 O ATOM 0 H ASP A 55 -1.898 -10.012 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.110 -7.807 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.449 -8.389 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.490 -7.444 0.180 1.00 0.00 H new ATOM 134 N VAL A 56 -1.822 -5.940 -0.612 1.00 0.00 N ATOM 135 CA VAL A 56 -0.914 -4.903 -0.153 1.00 0.00 C ATOM 136 C VAL A 56 -1.655 -3.971 0.808 1.00 0.00 C ATOM 137 O VAL A 56 -2.542 -3.224 0.394 1.00 0.00 O ATOM 138 CB VAL A 56 -0.310 -4.169 -1.352 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.521 -2.968 -0.895 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.524 -5.119 -2.212 1.00 0.00 C ATOM 0 H VAL A 56 -2.529 -5.624 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.081 -5.340 0.397 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.130 -3.795 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.940 -2.463 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.114 -2.275 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.330 -3.310 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.942 -4.572 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.334 -5.536 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.108 -5.927 -2.579 1.00 0.00 H new ATOM 150 N ILE A 57 -1.265 -4.045 2.072 1.00 0.00 N ATOM 151 CA ILE A 57 -1.880 -3.215 3.095 1.00 0.00 C ATOM 152 C ILE A 57 -0.887 -2.141 3.539 1.00 0.00 C ATOM 153 O ILE A 57 0.321 -2.369 3.538 1.00 0.00 O ATOM 154 CB ILE A 57 -2.405 -4.081 4.242 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.561 -4.969 3.774 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.797 -3.219 5.445 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.803 -6.116 4.757 1.00 0.00 C ATOM 0 H ILE A 57 -0.531 -4.667 2.411 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.751 -2.697 2.693 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.601 -4.742 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.467 -4.371 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.338 -5.373 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.167 -3.859 6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.926 -2.666 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.578 -2.518 5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.629 -6.732 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.903 -6.726 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.050 -5.709 5.738 1.00 0.00 H new ATOM 169 N LEU A 58 -1.433 -0.993 3.911 1.00 0.00 N ATOM 170 CA LEU A 58 -0.619 0.085 4.446 1.00 0.00 C ATOM 171 C LEU A 58 -0.828 0.175 5.958 1.00 0.00 C ATOM 172 O LEU A 58 -1.926 0.481 6.421 1.00 0.00 O ATOM 173 CB LEU A 58 -0.910 1.393 3.707 1.00 0.00 C ATOM 174 CG LEU A 58 -0.087 2.608 4.144 1.00 0.00 C ATOM 175 CD1 LEU A 58 -0.670 3.237 5.411 1.00 0.00 C ATOM 176 CD2 LEU A 58 1.388 2.238 4.314 1.00 0.00 C ATOM 0 H LEU A 58 -2.430 -0.786 3.852 1.00 0.00 H new ATOM 0 HA LEU A 58 0.439 -0.120 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.744 1.230 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.966 1.631 3.832 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.142 3.360 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.067 4.098 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.694 3.559 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.665 2.503 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.950 3.118 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.483 1.461 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.783 1.871 3.367 1.00 0.00 H new ATOM 188 N LYS A 59 0.244 -0.098 6.688 1.00 0.00 N ATOM 189 CA LYS A 59 0.173 -0.126 8.140 1.00 0.00 C ATOM 190 C LYS A 59 0.420 1.281 8.686 1.00 0.00 C ATOM 191 O LYS A 59 -0.444 1.857 9.344 1.00 0.00 O ATOM 192 CB LYS A 59 1.128 -1.182 8.703 1.00 0.00 C ATOM 193 CG LYS A 59 0.399 -2.502 8.955 1.00 0.00 C ATOM 194 CD LYS A 59 1.242 -3.435 9.827 1.00 0.00 C ATOM 195 CE LYS A 59 0.847 -3.317 11.300 1.00 0.00 C ATOM 196 NZ LYS A 59 1.324 -2.034 11.862 1.00 0.00 N ATOM 0 H LYS A 59 1.166 -0.302 6.302 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.823 -0.424 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.949 -1.344 8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.567 -0.821 9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.556 -2.307 9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.178 -2.987 8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.113 -4.465 9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.298 -3.192 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.236 -3.384 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.270 -4.148 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.327 -2.090 12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.288 -1.843 11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.692 -1.266 11.559 1.00 0.00 H new ATOM 210 N ALA A 60 1.606 1.795 8.392 1.00 0.00 N ATOM 211 CA ALA A 60 1.991 3.112 8.870 1.00 0.00 C ATOM 212 C ALA A 60 2.685 3.876 7.743 1.00 0.00 C ATOM 213 O ALA A 60 3.634 3.375 7.141 1.00 0.00 O ATOM 214 CB ALA A 60 2.876 2.968 10.110 1.00 0.00 C ATOM 0 H ALA A 60 2.313 1.323 7.828 1.00 0.00 H new ATOM 0 HA ALA A 60 1.112 3.685 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.164 3.956 10.468 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.325 2.446 10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.770 2.399 9.855 1.00 0.00 H new ATOM 220 N ALA A 61 2.189 5.080 7.492 1.00 0.00 N ATOM 221 CA ALA A 61 2.764 5.927 6.461 1.00 0.00 C ATOM 222 C ALA A 61 4.188 6.316 6.864 1.00 0.00 C ATOM 223 O ALA A 61 5.025 6.596 6.006 1.00 0.00 O ATOM 224 CB ALA A 61 1.867 7.146 6.243 1.00 0.00 C ATOM 0 H ALA A 61 1.395 5.488 7.985 1.00 0.00 H new ATOM 0 HA ALA A 61 2.823 5.392 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.298 7.781 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.876 6.817 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.787 7.710 7.173 1.00 0.00 H new ATOM 230 N GLY A 62 4.420 6.321 8.168 1.00 0.00 N ATOM 231 CA GLY A 62 5.722 6.691 8.695 1.00 0.00 C ATOM 232 C GLY A 62 5.907 8.208 8.688 1.00 0.00 C ATOM 233 O GLY A 62 4.931 8.956 8.646 1.00 0.00 O ATOM 0 H GLY A 62 3.728 6.075 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.827 6.313 9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.505 6.223 8.099 1.00 0.00 H new ATOM 237 N ALA A 63 7.166 8.620 8.729 1.00 0.00 N ATOM 238 CA ALA A 63 7.489 10.036 8.781 1.00 0.00 C ATOM 239 C ALA A 63 7.645 10.572 7.356 1.00 0.00 C ATOM 240 O ALA A 63 8.501 11.416 7.098 1.00 0.00 O ATOM 241 CB ALA A 63 8.750 10.240 9.623 1.00 0.00 C ATOM 0 H ALA A 63 7.974 7.998 8.727 1.00 0.00 H new ATOM 0 HA ALA A 63 6.685 10.597 9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.993 11.302 9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.577 9.869 10.633 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.580 9.694 9.174 1.00 0.00 H new ATOM 247 N ASN A 64 6.804 10.060 6.471 1.00 0.00 N ATOM 248 CA ASN A 64 6.850 10.462 5.076 1.00 0.00 C ATOM 249 C ASN A 64 5.470 10.267 4.447 1.00 0.00 C ATOM 250 O ASN A 64 5.328 9.539 3.466 1.00 0.00 O ATOM 251 CB ASN A 64 7.851 9.615 4.290 1.00 0.00 C ATOM 252 CG ASN A 64 8.577 10.456 3.238 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.823 11.403 2.689 1.00 0.00 O flip ATOM 254 ND2 ASN A 64 9.744 10.259 2.945 1.00 0.00 N flip ATOM 0 H ASN A 64 6.086 9.370 6.693 1.00 0.00 H new ATOM 0 HA ASN A 64 7.155 11.508 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.577 9.176 4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.331 8.789 3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.267 9.514 3.405 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.198 10.839 2.239 1.00 0.00 H new ATOM 261 N LYS A 65 4.485 10.930 5.038 1.00 0.00 N ATOM 262 CA LYS A 65 3.116 10.811 4.568 1.00 0.00 C ATOM 263 C LYS A 65 3.019 11.360 3.143 1.00 0.00 C ATOM 264 O LYS A 65 2.148 10.956 2.376 1.00 0.00 O ATOM 265 CB LYS A 65 2.152 11.479 5.551 1.00 0.00 C ATOM 266 CG LYS A 65 0.877 10.650 5.718 1.00 0.00 C ATOM 267 CD LYS A 65 0.259 10.867 7.101 1.00 0.00 C ATOM 268 CE LYS A 65 -0.502 12.192 7.160 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.152 12.359 8.480 1.00 0.00 N ATOM 0 H LYS A 65 4.609 11.551 5.838 1.00 0.00 H new ATOM 0 HA LYS A 65 2.818 9.763 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.640 11.601 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.897 12.477 5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.157 10.924 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.105 9.593 5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.417 10.045 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.043 10.860 7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.183 13.020 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.254 12.222 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.786 13.183 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.703 11.506 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.425 12.505 9.209 1.00 0.00 H new ATOM 283 N VAL A 66 3.926 12.274 2.834 1.00 0.00 N ATOM 284 CA VAL A 66 3.925 12.921 1.532 1.00 0.00 C ATOM 285 C VAL A 66 4.210 11.877 0.449 1.00 0.00 C ATOM 286 O VAL A 66 3.540 11.848 -0.581 1.00 0.00 O ATOM 287 CB VAL A 66 4.921 14.082 1.522 1.00 0.00 C ATOM 288 CG1 VAL A 66 5.142 14.602 0.101 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.463 15.205 2.453 1.00 0.00 C ATOM 0 H VAL A 66 4.667 12.583 3.463 1.00 0.00 H new ATOM 0 HA VAL A 66 2.946 13.351 1.320 1.00 0.00 H new ATOM 0 HB VAL A 66 5.875 13.708 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.854 15.427 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.535 13.799 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.195 14.951 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.189 16.018 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.492 15.575 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.382 14.823 3.471 1.00 0.00 H new ATOM 299 N ALA A 67 5.207 11.048 0.720 1.00 0.00 N ATOM 300 CA ALA A 67 5.620 10.035 -0.236 1.00 0.00 C ATOM 301 C ALA A 67 4.543 8.952 -0.321 1.00 0.00 C ATOM 302 O ALA A 67 4.211 8.486 -1.410 1.00 0.00 O ATOM 303 CB ALA A 67 6.982 9.472 0.171 1.00 0.00 C ATOM 0 H ALA A 67 5.741 11.057 1.589 1.00 0.00 H new ATOM 0 HA ALA A 67 5.732 10.469 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.291 8.712 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.718 10.276 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.910 9.026 1.163 1.00 0.00 H new ATOM 309 N VAL A 68 4.027 8.582 0.843 1.00 0.00 N ATOM 310 CA VAL A 68 3.004 7.554 0.915 1.00 0.00 C ATOM 311 C VAL A 68 1.804 7.975 0.064 1.00 0.00 C ATOM 312 O VAL A 68 1.423 7.270 -0.870 1.00 0.00 O ATOM 313 CB VAL A 68 2.634 7.284 2.374 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.445 6.326 2.471 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.836 6.746 3.152 1.00 0.00 C ATOM 0 H VAL A 68 4.299 8.977 1.743 1.00 0.00 H new ATOM 0 HA VAL A 68 3.379 6.614 0.509 1.00 0.00 H new ATOM 0 HB VAL A 68 2.338 8.231 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.203 6.151 3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.583 6.764 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.701 5.379 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.547 6.562 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.175 5.814 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.644 7.478 3.126 1.00 0.00 H new ATOM 325 N ILE A 69 1.242 9.122 0.414 1.00 0.00 N ATOM 326 CA ILE A 69 0.057 9.614 -0.266 1.00 0.00 C ATOM 327 C ILE A 69 0.282 9.565 -1.777 1.00 0.00 C ATOM 328 O ILE A 69 -0.640 9.271 -2.538 1.00 0.00 O ATOM 329 CB ILE A 69 -0.322 11.003 0.254 1.00 0.00 C ATOM 330 CG1 ILE A 69 -0.934 10.917 1.654 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.244 11.725 -0.731 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.858 12.268 2.369 1.00 0.00 C ATOM 0 H ILE A 69 1.586 9.726 1.161 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.798 8.973 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 69 0.589 11.596 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.974 10.598 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.409 10.162 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.498 12.709 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.736 11.837 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.155 11.143 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.300 12.180 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.184 12.573 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.405 13.015 1.794 1.00 0.00 H new ATOM 344 N LYS A 70 1.514 9.856 -2.169 1.00 0.00 N ATOM 345 CA LYS A 70 1.877 9.838 -3.577 1.00 0.00 C ATOM 346 C LYS A 70 1.768 8.407 -4.108 1.00 0.00 C ATOM 347 O LYS A 70 1.094 8.161 -5.106 1.00 0.00 O ATOM 348 CB LYS A 70 3.255 10.468 -3.783 1.00 0.00 C ATOM 349 CG LYS A 70 3.171 11.995 -3.746 1.00 0.00 C ATOM 350 CD LYS A 70 4.566 12.621 -3.721 1.00 0.00 C ATOM 351 CE LYS A 70 4.492 14.135 -3.929 1.00 0.00 C ATOM 352 NZ LYS A 70 4.358 14.456 -5.368 1.00 0.00 N ATOM 0 H LYS A 70 2.274 10.106 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 70 1.185 10.448 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.938 10.119 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.667 10.146 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.623 12.354 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.611 12.311 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.048 12.405 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.183 12.173 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.643 14.542 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.388 14.607 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.309 15.488 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.181 14.085 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.490 14.022 -5.741 1.00 0.00 H new ATOM 366 N ALA A 71 2.444 7.501 -3.417 1.00 0.00 N ATOM 367 CA ALA A 71 2.442 6.102 -3.814 1.00 0.00 C ATOM 368 C ALA A 71 0.998 5.611 -3.926 1.00 0.00 C ATOM 369 O ALA A 71 0.654 4.891 -4.861 1.00 0.00 O ATOM 370 CB ALA A 71 3.258 5.286 -2.809 1.00 0.00 C ATOM 0 H ALA A 71 2.997 7.708 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 71 2.909 5.979 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.257 4.237 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.283 5.656 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.816 5.383 -1.817 1.00 0.00 H new ATOM 376 N VAL A 72 0.188 6.022 -2.958 1.00 0.00 N ATOM 377 CA VAL A 72 -1.208 5.624 -2.932 1.00 0.00 C ATOM 378 C VAL A 72 -1.898 6.114 -4.207 1.00 0.00 C ATOM 379 O VAL A 72 -2.251 5.314 -5.072 1.00 0.00 O ATOM 380 CB VAL A 72 -1.874 6.139 -1.655 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.361 5.778 -1.627 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.159 5.611 -0.411 1.00 0.00 C ATOM 0 H VAL A 72 0.474 6.626 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.296 4.538 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.793 7.226 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.810 6.156 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.860 6.226 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.473 4.695 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.653 5.993 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.193 4.522 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.120 5.942 -0.420 1.00 0.00 H new ATOM 392 N ARG A 73 -2.071 7.425 -4.281 1.00 0.00 N ATOM 393 CA ARG A 73 -2.737 8.028 -5.423 1.00 0.00 C ATOM 394 C ARG A 73 -2.174 7.458 -6.727 1.00 0.00 C ATOM 395 O ARG A 73 -2.899 7.319 -7.711 1.00 0.00 O ATOM 396 CB ARG A 73 -2.561 9.548 -5.422 1.00 0.00 C ATOM 397 CG ARG A 73 -3.510 10.210 -4.421 1.00 0.00 C ATOM 398 CD ARG A 73 -3.150 11.682 -4.211 1.00 0.00 C ATOM 399 NE ARG A 73 -3.166 12.395 -5.509 1.00 0.00 N ATOM 400 CZ ARG A 73 -4.281 12.817 -6.120 1.00 0.00 C ATOM 401 NH1 ARG A 73 -5.479 12.565 -5.576 1.00 0.00 N ATOM 402 NH2 ARG A 73 -4.198 13.492 -7.274 1.00 0.00 N ATOM 0 H ARG A 73 -1.762 8.087 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.799 7.796 -5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.530 9.798 -5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.750 9.940 -6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.536 10.131 -4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.465 9.682 -3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.858 12.144 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.164 11.763 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.272 12.576 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.542 12.052 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.328 12.886 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.286 13.685 -7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.047 13.813 -7.739 1.00 0.00 H new ATOM 416 N GLY A 74 -0.887 7.144 -6.692 1.00 0.00 N ATOM 417 CA GLY A 74 -0.208 6.639 -7.873 1.00 0.00 C ATOM 418 C GLY A 74 -0.643 5.206 -8.187 1.00 0.00 C ATOM 419 O GLY A 74 -0.741 4.824 -9.351 1.00 0.00 O ATOM 0 H GLY A 74 -0.297 7.230 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.425 7.283 -8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.870 6.669 -7.717 1.00 0.00 H new ATOM 423 N ALA A 75 -0.892 4.452 -7.126 1.00 0.00 N ATOM 424 CA ALA A 75 -1.245 3.051 -7.270 1.00 0.00 C ATOM 425 C ALA A 75 -2.750 2.932 -7.521 1.00 0.00 C ATOM 426 O ALA A 75 -3.212 1.942 -8.087 1.00 0.00 O ATOM 427 CB ALA A 75 -0.799 2.280 -6.026 1.00 0.00 C ATOM 0 H ALA A 75 -0.856 4.786 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.732 2.613 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.064 1.228 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.281 2.371 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.295 2.690 -5.146 1.00 0.00 H new ATOM 433 N THR A 76 -3.472 3.955 -7.088 1.00 0.00 N ATOM 434 CA THR A 76 -4.919 3.957 -7.217 1.00 0.00 C ATOM 435 C THR A 76 -5.376 5.143 -8.068 1.00 0.00 C ATOM 436 O THR A 76 -5.718 4.978 -9.238 1.00 0.00 O ATOM 437 CB THR A 76 -5.520 3.951 -5.811 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.055 5.166 -5.230 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.920 2.859 -4.922 1.00 0.00 C ATOM 0 H THR A 76 -3.082 4.788 -6.648 1.00 0.00 H new ATOM 0 HA THR A 76 -5.271 3.067 -7.739 1.00 0.00 H new ATOM 0 HB THR A 76 -6.599 3.812 -5.878 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.091 5.103 -5.068 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.381 2.899 -3.935 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.105 1.883 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.846 3.017 -4.827 1.00 0.00 H new ATOM 447 N GLY A 77 -5.367 6.314 -7.448 1.00 0.00 N ATOM 448 CA GLY A 77 -5.814 7.521 -8.121 1.00 0.00 C ATOM 449 C GLY A 77 -7.035 8.121 -7.419 1.00 0.00 C ATOM 450 O GLY A 77 -7.798 8.871 -8.026 1.00 0.00 O ATOM 0 H GLY A 77 -5.057 6.452 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.005 8.252 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.062 7.293 -9.158 1.00 0.00 H new ATOM 454 N LEU A 78 -7.180 7.767 -6.150 1.00 0.00 N ATOM 455 CA LEU A 78 -8.296 8.259 -5.360 1.00 0.00 C ATOM 456 C LEU A 78 -8.120 9.759 -5.116 1.00 0.00 C ATOM 457 O LEU A 78 -6.998 10.264 -5.114 1.00 0.00 O ATOM 458 CB LEU A 78 -8.444 7.442 -4.076 1.00 0.00 C ATOM 459 CG LEU A 78 -8.913 5.996 -4.252 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.725 5.198 -2.960 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.358 5.945 -4.752 1.00 0.00 C ATOM 0 H LEU A 78 -6.544 7.146 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.233 8.131 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.483 7.431 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.149 7.955 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.292 5.526 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.066 4.174 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.670 5.192 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.305 5.659 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.666 4.906 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.010 6.438 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.429 6.454 -5.713 1.00 0.00 H new ATOM 473 N GLY A 79 -9.245 10.431 -4.918 1.00 0.00 N ATOM 474 CA GLY A 79 -9.228 11.860 -4.657 1.00 0.00 C ATOM 475 C GLY A 79 -8.302 12.191 -3.483 1.00 0.00 C ATOM 476 O GLY A 79 -8.198 11.418 -2.533 1.00 0.00 O ATOM 0 H GLY A 79 -10.175 10.012 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.896 12.392 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.238 12.205 -4.437 1.00 0.00 H new ATOM 480 N LEU A 80 -7.654 13.342 -3.589 1.00 0.00 N ATOM 481 CA LEU A 80 -6.743 13.787 -2.549 1.00 0.00 C ATOM 482 C LEU A 80 -7.344 13.464 -1.179 1.00 0.00 C ATOM 483 O LEU A 80 -6.667 12.905 -0.317 1.00 0.00 O ATOM 484 CB LEU A 80 -6.397 15.265 -2.735 1.00 0.00 C ATOM 485 CG LEU A 80 -5.056 15.717 -2.156 1.00 0.00 C ATOM 486 CD1 LEU A 80 -3.919 15.479 -3.152 1.00 0.00 C ATOM 487 CD2 LEU A 80 -5.119 17.176 -1.698 1.00 0.00 C ATOM 0 H LEU A 80 -7.742 13.980 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.796 13.251 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.403 15.488 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.187 15.863 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.845 15.111 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.977 15.809 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.857 14.416 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.112 16.042 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.152 17.471 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.365 17.814 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.885 17.283 -0.930 1.00 0.00 H new ATOM 499 N LYS A 81 -8.608 13.830 -1.022 1.00 0.00 N ATOM 500 CA LYS A 81 -9.299 13.608 0.236 1.00 0.00 C ATOM 501 C LYS A 81 -9.313 12.111 0.550 1.00 0.00 C ATOM 502 O LYS A 81 -8.689 11.670 1.512 1.00 0.00 O ATOM 503 CB LYS A 81 -10.692 14.241 0.200 1.00 0.00 C ATOM 504 CG LYS A 81 -11.342 14.218 1.586 1.00 0.00 C ATOM 505 CD LYS A 81 -10.850 15.386 2.443 1.00 0.00 C ATOM 506 CE LYS A 81 -11.664 15.500 3.734 1.00 0.00 C ATOM 507 NZ LYS A 81 -11.173 14.534 4.742 1.00 0.00 N ATOM 0 H LYS A 81 -9.171 14.278 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.770 14.100 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.619 15.269 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.321 13.704 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.426 14.269 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.113 13.276 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.796 15.246 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.927 16.315 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.592 16.514 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.717 15.313 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.959 14.246 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.785 13.697 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.429 14.979 5.316 1.00 0.00 H new ATOM 521 N GLU A 82 -10.033 11.371 -0.281 1.00 0.00 N ATOM 522 CA GLU A 82 -10.172 9.939 -0.079 1.00 0.00 C ATOM 523 C GLU A 82 -8.835 9.329 0.343 1.00 0.00 C ATOM 524 O GLU A 82 -8.774 8.564 1.305 1.00 0.00 O ATOM 525 CB GLU A 82 -10.713 9.258 -1.339 1.00 0.00 C ATOM 526 CG GLU A 82 -12.216 9.499 -1.492 1.00 0.00 C ATOM 527 CD GLU A 82 -13.020 8.460 -0.707 1.00 0.00 C ATOM 528 OE1 GLU A 82 -13.077 8.605 0.533 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.558 7.544 -1.364 1.00 0.00 O ATOM 0 H GLU A 82 -10.526 11.737 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.892 9.773 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.189 9.639 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.516 8.187 -1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.465 10.500 -1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.490 9.455 -2.546 1.00 0.00 H new ATOM 536 N ALA A 83 -7.796 9.692 -0.394 1.00 0.00 N ATOM 537 CA ALA A 83 -6.472 9.149 -0.141 1.00 0.00 C ATOM 538 C ALA A 83 -6.030 9.534 1.271 1.00 0.00 C ATOM 539 O ALA A 83 -5.545 8.692 2.025 1.00 0.00 O ATOM 540 CB ALA A 83 -5.502 9.648 -1.213 1.00 0.00 C ATOM 0 H ALA A 83 -7.844 10.356 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.486 8.061 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.509 9.241 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.846 9.323 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.459 10.737 -1.186 1.00 0.00 H new ATOM 546 N LYS A 84 -6.212 10.807 1.588 1.00 0.00 N ATOM 547 CA LYS A 84 -5.826 11.318 2.892 1.00 0.00 C ATOM 548 C LYS A 84 -6.523 10.501 3.982 1.00 0.00 C ATOM 549 O LYS A 84 -5.868 9.954 4.869 1.00 0.00 O ATOM 550 CB LYS A 84 -6.096 12.821 2.981 1.00 0.00 C ATOM 551 CG LYS A 84 -5.458 13.419 4.237 1.00 0.00 C ATOM 552 CD LYS A 84 -4.047 13.935 3.942 1.00 0.00 C ATOM 553 CE LYS A 84 -4.091 15.345 3.352 1.00 0.00 C ATOM 554 NZ LYS A 84 -2.721 15.846 3.105 1.00 0.00 N ATOM 0 H LYS A 84 -6.622 11.501 0.963 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.753 11.202 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.700 13.318 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.171 13.001 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.077 14.235 4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.417 12.665 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.458 13.939 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.548 13.261 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.656 15.338 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.612 16.015 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.769 16.805 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.194 15.871 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.236 15.215 2.436 1.00 0.00 H new ATOM 568 N ASP A 85 -7.843 10.443 3.880 1.00 0.00 N ATOM 569 CA ASP A 85 -8.641 9.743 4.872 1.00 0.00 C ATOM 570 C ASP A 85 -8.142 8.302 4.997 1.00 0.00 C ATOM 571 O ASP A 85 -7.913 7.813 6.102 1.00 0.00 O ATOM 572 CB ASP A 85 -10.114 9.700 4.464 1.00 0.00 C ATOM 573 CG ASP A 85 -10.798 11.064 4.367 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.065 12.052 4.138 1.00 0.00 O ATOM 575 OD2 ASP A 85 -12.038 11.090 4.520 1.00 0.00 O ATOM 0 H ASP A 85 -8.380 10.870 3.125 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.545 10.275 5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.193 9.201 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.657 9.088 5.184 1.00 0.00 H new ATOM 580 N LEU A 86 -7.986 7.663 3.846 1.00 0.00 N ATOM 581 CA LEU A 86 -7.548 6.278 3.814 1.00 0.00 C ATOM 582 C LEU A 86 -6.319 6.115 4.711 1.00 0.00 C ATOM 583 O LEU A 86 -6.342 5.337 5.665 1.00 0.00 O ATOM 584 CB LEU A 86 -7.318 5.822 2.371 1.00 0.00 C ATOM 585 CG LEU A 86 -6.960 4.346 2.182 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.661 3.766 0.952 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.443 4.154 2.122 1.00 0.00 C ATOM 0 H LEU A 86 -8.155 8.079 2.930 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.324 5.625 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.220 6.033 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.519 6.427 1.943 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.320 3.792 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.390 2.716 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.741 3.851 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.352 4.317 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.215 3.097 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.037 4.722 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.995 4.506 3.051 1.00 0.00 H new ATOM 599 N VAL A 87 -5.277 6.862 4.375 1.00 0.00 N ATOM 600 CA VAL A 87 -4.020 6.762 5.099 1.00 0.00 C ATOM 601 C VAL A 87 -4.261 7.084 6.576 1.00 0.00 C ATOM 602 O VAL A 87 -3.690 6.443 7.457 1.00 0.00 O ATOM 603 CB VAL A 87 -2.972 7.667 4.453 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.752 7.829 5.363 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.563 7.138 3.077 1.00 0.00 C ATOM 0 H VAL A 87 -5.277 7.539 3.612 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.628 5.746 5.048 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.420 8.651 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.021 8.478 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.061 8.272 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.304 6.853 5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.816 7.801 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.143 6.138 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.438 7.098 2.428 1.00 0.00 H new ATOM 615 N GLU A 88 -5.108 8.078 6.801 1.00 0.00 N ATOM 616 CA GLU A 88 -5.384 8.533 8.153 1.00 0.00 C ATOM 617 C GLU A 88 -6.207 7.487 8.908 1.00 0.00 C ATOM 618 O GLU A 88 -6.322 7.547 10.131 1.00 0.00 O ATOM 619 CB GLU A 88 -6.097 9.887 8.141 1.00 0.00 C ATOM 620 CG GLU A 88 -5.167 10.994 7.638 1.00 0.00 C ATOM 621 CD GLU A 88 -4.313 11.552 8.779 1.00 0.00 C ATOM 622 OE1 GLU A 88 -3.494 10.771 9.309 1.00 0.00 O ATOM 623 OE2 GLU A 88 -4.500 12.746 9.095 1.00 0.00 O ATOM 0 H GLU A 88 -5.612 8.581 6.070 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.435 8.664 8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.979 9.831 7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.444 10.128 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.520 10.602 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.757 11.796 7.194 1.00 0.00 H new ATOM 630 N SER A 89 -6.759 6.555 8.148 1.00 0.00 N ATOM 631 CA SER A 89 -7.600 5.520 8.725 1.00 0.00 C ATOM 632 C SER A 89 -6.858 4.181 8.726 1.00 0.00 C ATOM 633 O SER A 89 -7.480 3.124 8.802 1.00 0.00 O ATOM 634 CB SER A 89 -8.921 5.394 7.961 1.00 0.00 C ATOM 635 OG SER A 89 -9.680 6.598 8.006 1.00 0.00 O ATOM 0 H SER A 89 -6.641 6.494 7.137 1.00 0.00 H new ATOM 0 HA SER A 89 -7.830 5.801 9.753 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.716 5.133 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.508 4.579 8.384 1.00 0.00 H new ATOM 0 HG SER A 89 -9.280 7.260 7.404 1.00 0.00 H new ATOM 641 N ALA A 90 -5.540 4.272 8.640 1.00 0.00 N ATOM 642 CA ALA A 90 -4.704 3.083 8.656 1.00 0.00 C ATOM 643 C ALA A 90 -4.963 2.302 9.946 1.00 0.00 C ATOM 644 O ALA A 90 -5.336 2.882 10.963 1.00 0.00 O ATOM 645 CB ALA A 90 -3.236 3.488 8.503 1.00 0.00 C ATOM 0 H ALA A 90 -5.029 5.151 8.559 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.949 2.429 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.609 2.596 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.100 4.014 7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.951 4.143 9.327 1.00 0.00 H new ATOM 651 N PRO A 91 -4.748 0.962 9.858 1.00 0.00 N ATOM 652 CA PRO A 91 -4.299 0.355 8.615 1.00 0.00 C ATOM 653 C PRO A 91 -5.443 0.273 7.602 1.00 0.00 C ATOM 654 O PRO A 91 -6.614 0.326 7.975 1.00 0.00 O ATOM 655 CB PRO A 91 -3.762 -1.009 9.016 1.00 0.00 C ATOM 656 CG PRO A 91 -4.349 -1.305 10.386 1.00 0.00 C ATOM 657 CD PRO A 91 -4.925 -0.009 10.935 1.00 0.00 C ATOM 0 HA PRO A 91 -3.528 0.940 8.114 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.054 -1.771 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.673 -1.004 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.125 -2.067 10.313 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.581 -1.695 11.054 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.977 -0.123 11.196 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.404 0.304 11.840 1.00 0.00 H new ATOM 665 N ALA A 92 -5.063 0.145 6.339 1.00 0.00 N ATOM 666 CA ALA A 92 -6.042 0.077 5.266 1.00 0.00 C ATOM 667 C ALA A 92 -5.436 -0.669 4.076 1.00 0.00 C ATOM 668 O ALA A 92 -4.240 -0.553 3.809 1.00 0.00 O ATOM 669 CB ALA A 92 -6.496 1.491 4.899 1.00 0.00 C ATOM 0 H ALA A 92 -4.091 0.087 6.034 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.925 -0.476 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.230 1.440 4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.945 1.967 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.637 2.075 4.570 1.00 0.00 H new ATOM 675 N ALA A 93 -6.288 -1.416 3.391 1.00 0.00 N ATOM 676 CA ALA A 93 -5.865 -2.136 2.202 1.00 0.00 C ATOM 677 C ALA A 93 -5.738 -1.155 1.036 1.00 0.00 C ATOM 678 O ALA A 93 -6.577 -0.272 0.869 1.00 0.00 O ATOM 679 CB ALA A 93 -6.854 -3.266 1.910 1.00 0.00 C ATOM 0 H ALA A 93 -7.270 -1.539 3.637 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.887 -2.592 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.536 -3.806 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.884 -3.951 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.847 -2.847 1.746 1.00 0.00 H new ATOM 685 N LEU A 94 -4.683 -1.344 0.258 1.00 0.00 N ATOM 686 CA LEU A 94 -4.445 -0.497 -0.899 1.00 0.00 C ATOM 687 C LEU A 94 -4.672 -1.310 -2.176 1.00 0.00 C ATOM 688 O LEU A 94 -5.092 -0.765 -3.195 1.00 0.00 O ATOM 689 CB LEU A 94 -3.059 0.145 -0.818 1.00 0.00 C ATOM 690 CG LEU A 94 -2.976 1.469 -0.057 1.00 0.00 C ATOM 691 CD1 LEU A 94 -3.343 1.279 1.416 1.00 0.00 C ATOM 692 CD2 LEU A 94 -1.598 2.114 -0.226 1.00 0.00 C ATOM 0 H LEU A 94 -3.983 -2.071 0.406 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.154 0.331 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.379 -0.565 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.697 0.309 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.707 2.155 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.276 2.236 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.361 0.896 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.654 0.569 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.566 3.054 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.832 1.441 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.414 2.307 -1.283 1.00 0.00 H new ATOM 704 N LYS A 95 -4.385 -2.599 -2.078 1.00 0.00 N ATOM 705 CA LYS A 95 -4.556 -3.492 -3.211 1.00 0.00 C ATOM 706 C LYS A 95 -4.967 -4.876 -2.706 1.00 0.00 C ATOM 707 O LYS A 95 -4.574 -5.284 -1.614 1.00 0.00 O ATOM 708 CB LYS A 95 -3.298 -3.502 -4.080 1.00 0.00 C ATOM 709 CG LYS A 95 -2.491 -2.217 -3.893 1.00 0.00 C ATOM 710 CD LYS A 95 -1.185 -2.268 -4.688 1.00 0.00 C ATOM 711 CE LYS A 95 -1.434 -1.989 -6.172 1.00 0.00 C ATOM 712 NZ LYS A 95 -0.214 -2.266 -6.963 1.00 0.00 N ATOM 0 H LYS A 95 -4.035 -3.047 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.358 -3.138 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.681 -4.363 -3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.577 -3.611 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.084 -1.361 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.271 -2.072 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.484 -1.535 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.722 -3.248 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.256 -2.608 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.734 -0.950 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.400 -2.072 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.561 -1.657 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.055 -3.264 -6.848 1.00 0.00 H new ATOM 726 N GLU A 96 -5.753 -5.561 -3.523 1.00 0.00 N ATOM 727 CA GLU A 96 -6.227 -6.888 -3.169 1.00 0.00 C ATOM 728 C GLU A 96 -5.816 -7.902 -4.238 1.00 0.00 C ATOM 729 O GLU A 96 -6.057 -7.691 -5.425 1.00 0.00 O ATOM 730 CB GLU A 96 -7.744 -6.891 -2.965 1.00 0.00 C ATOM 731 CG GLU A 96 -8.144 -5.967 -1.813 1.00 0.00 C ATOM 732 CD GLU A 96 -9.650 -6.040 -1.549 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.077 -7.068 -0.981 1.00 0.00 O ATOM 734 OE2 GLU A 96 -10.338 -5.065 -1.921 1.00 0.00 O ATOM 0 H GLU A 96 -6.074 -5.222 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.765 -7.178 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.238 -6.570 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.085 -7.905 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.599 -6.247 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.862 -4.941 -2.050 1.00 0.00 H new ATOM 741 N GLY A 97 -5.201 -8.983 -3.778 1.00 0.00 N ATOM 742 CA GLY A 97 -4.770 -10.039 -4.678 1.00 0.00 C ATOM 743 C GLY A 97 -4.163 -9.456 -5.956 1.00 0.00 C ATOM 744 O GLY A 97 -4.810 -9.434 -7.002 1.00 0.00 O ATOM 0 H GLY A 97 -4.991 -9.150 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.036 -10.671 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.618 -10.675 -4.931 1.00 0.00 H new ATOM 748 N VAL A 98 -2.926 -8.998 -5.829 1.00 0.00 N ATOM 749 CA VAL A 98 -2.216 -8.435 -6.965 1.00 0.00 C ATOM 750 C VAL A 98 -0.956 -9.259 -7.234 1.00 0.00 C ATOM 751 O VAL A 98 -0.528 -10.040 -6.386 1.00 0.00 O ATOM 752 CB VAL A 98 -1.920 -6.954 -6.716 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.208 -6.129 -6.718 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.149 -6.762 -5.408 1.00 0.00 C ATOM 0 H VAL A 98 -2.397 -9.005 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.833 -8.483 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.292 -6.596 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.969 -5.081 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.702 -6.228 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.872 -6.489 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.951 -5.701 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.741 -7.145 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.204 -7.303 -5.460 1.00 0.00 H new ATOM 764 N SER A 99 -0.396 -9.057 -8.417 1.00 0.00 N ATOM 765 CA SER A 99 0.793 -9.789 -8.818 1.00 0.00 C ATOM 766 C SER A 99 1.919 -9.552 -7.809 1.00 0.00 C ATOM 767 O SER A 99 2.075 -8.443 -7.298 1.00 0.00 O ATOM 768 CB SER A 99 1.244 -9.382 -10.223 1.00 0.00 C ATOM 769 OG SER A 99 1.626 -8.011 -10.284 1.00 0.00 O ATOM 0 H SER A 99 -0.744 -8.396 -9.112 1.00 0.00 H new ATOM 0 HA SER A 99 0.550 -10.851 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.083 -10.006 -10.530 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.435 -9.565 -10.931 1.00 0.00 H new ATOM 0 HG SER A 99 0.837 -7.460 -10.470 1.00 0.00 H new ATOM 775 N LYS A 100 2.673 -10.610 -7.553 1.00 0.00 N ATOM 776 CA LYS A 100 3.773 -10.533 -6.606 1.00 0.00 C ATOM 777 C LYS A 100 4.702 -9.384 -7.002 1.00 0.00 C ATOM 778 O LYS A 100 5.134 -8.609 -6.150 1.00 0.00 O ATOM 779 CB LYS A 100 4.479 -11.886 -6.494 1.00 0.00 C ATOM 780 CG LYS A 100 5.796 -11.754 -5.728 1.00 0.00 C ATOM 781 CD LYS A 100 6.467 -13.118 -5.554 1.00 0.00 C ATOM 782 CE LYS A 100 7.950 -13.052 -5.925 1.00 0.00 C ATOM 783 NZ LYS A 100 8.705 -12.281 -4.912 1.00 0.00 N ATOM 0 H LYS A 100 2.545 -11.525 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 100 3.400 -10.311 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.829 -12.599 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.672 -12.283 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.466 -11.080 -6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.610 -11.309 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.361 -13.450 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.965 -13.856 -6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.357 -14.060 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.065 -12.587 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.433 -11.708 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.054 -11.656 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.159 -12.936 -4.244 1.00 0.00 H new ATOM 797 N ASP A 101 4.985 -9.311 -8.294 1.00 0.00 N ATOM 798 CA ASP A 101 5.903 -8.309 -8.805 1.00 0.00 C ATOM 799 C ASP A 101 5.427 -6.920 -8.374 1.00 0.00 C ATOM 800 O ASP A 101 6.236 -6.065 -8.019 1.00 0.00 O ATOM 801 CB ASP A 101 5.958 -8.339 -10.334 1.00 0.00 C ATOM 802 CG ASP A 101 6.525 -9.625 -10.935 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.887 -10.515 -10.136 1.00 0.00 O ATOM 804 OD2 ASP A 101 6.586 -9.690 -12.182 1.00 0.00 O ATOM 0 H ASP A 101 4.594 -9.931 -9.003 1.00 0.00 H new ATOM 0 HA ASP A 101 6.894 -8.525 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.951 -8.188 -10.722 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.561 -7.499 -10.677 1.00 0.00 H new ATOM 809 N ASP A 102 4.115 -6.738 -8.424 1.00 0.00 N ATOM 810 CA ASP A 102 3.525 -5.455 -8.087 1.00 0.00 C ATOM 811 C ASP A 102 3.600 -5.244 -6.573 1.00 0.00 C ATOM 812 O ASP A 102 3.738 -4.115 -6.106 1.00 0.00 O ATOM 813 CB ASP A 102 2.052 -5.400 -8.499 1.00 0.00 C ATOM 814 CG ASP A 102 1.806 -5.106 -9.980 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.689 -4.462 -10.586 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.740 -5.533 -10.474 1.00 0.00 O ATOM 0 H ASP A 102 3.445 -7.458 -8.693 1.00 0.00 H new ATOM 0 HA ASP A 102 4.078 -4.681 -8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.585 -6.353 -8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.552 -4.635 -7.904 1.00 0.00 H new ATOM 821 N ALA A 103 3.506 -6.350 -5.849 1.00 0.00 N ATOM 822 CA ALA A 103 3.534 -6.298 -4.397 1.00 0.00 C ATOM 823 C ALA A 103 4.901 -5.790 -3.937 1.00 0.00 C ATOM 824 O ALA A 103 4.983 -4.881 -3.111 1.00 0.00 O ATOM 825 CB ALA A 103 3.205 -7.681 -3.831 1.00 0.00 C ATOM 0 H ALA A 103 3.410 -7.287 -6.241 1.00 0.00 H new ATOM 0 HA ALA A 103 2.781 -5.605 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.226 -7.643 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.212 -7.984 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.942 -8.403 -4.183 1.00 0.00 H new ATOM 831 N GLU A 104 5.940 -6.397 -4.489 1.00 0.00 N ATOM 832 CA GLU A 104 7.300 -6.044 -4.116 1.00 0.00 C ATOM 833 C GLU A 104 7.651 -4.653 -4.645 1.00 0.00 C ATOM 834 O GLU A 104 8.478 -3.953 -4.062 1.00 0.00 O ATOM 835 CB GLU A 104 8.296 -7.089 -4.621 1.00 0.00 C ATOM 836 CG GLU A 104 8.665 -8.076 -3.509 1.00 0.00 C ATOM 837 CD GLU A 104 7.484 -8.987 -3.172 1.00 0.00 C ATOM 838 OE1 GLU A 104 6.584 -8.505 -2.450 1.00 0.00 O ATOM 839 OE2 GLU A 104 7.510 -10.146 -3.640 1.00 0.00 O ATOM 0 H GLU A 104 5.868 -7.132 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 104 7.364 -6.025 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.866 -7.629 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.196 -6.593 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.517 -8.680 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.972 -7.528 -2.618 1.00 0.00 H new ATOM 846 N ALA A 105 7.003 -4.291 -5.744 1.00 0.00 N ATOM 847 CA ALA A 105 7.250 -3.001 -6.367 1.00 0.00 C ATOM 848 C ALA A 105 6.734 -1.890 -5.450 1.00 0.00 C ATOM 849 O ALA A 105 7.458 -0.942 -5.149 1.00 0.00 O ATOM 850 CB ALA A 105 6.592 -2.968 -7.749 1.00 0.00 C ATOM 0 H ALA A 105 6.308 -4.868 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 105 8.319 -2.842 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.777 -2.001 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.012 -3.758 -8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.518 -3.121 -7.644 1.00 0.00 H new ATOM 856 N LEU A 106 5.487 -2.044 -5.028 1.00 0.00 N ATOM 857 CA LEU A 106 4.855 -1.049 -4.179 1.00 0.00 C ATOM 858 C LEU A 106 5.546 -1.037 -2.815 1.00 0.00 C ATOM 859 O LEU A 106 5.836 0.026 -2.270 1.00 0.00 O ATOM 860 CB LEU A 106 3.346 -1.290 -4.103 1.00 0.00 C ATOM 861 CG LEU A 106 2.564 -0.354 -3.179 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.888 -0.634 -1.712 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.806 1.111 -3.551 1.00 0.00 C ATOM 0 H LEU A 106 4.897 -2.844 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 106 4.974 -0.053 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.933 -1.205 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.178 -2.316 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 106 1.500 -0.550 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.319 0.045 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.623 -1.663 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.954 -0.484 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.239 1.755 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.868 1.338 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.483 1.284 -4.578 1.00 0.00 H new ATOM 875 N LYS A 107 5.789 -2.235 -2.300 1.00 0.00 N ATOM 876 CA LYS A 107 6.429 -2.375 -1.003 1.00 0.00 C ATOM 877 C LYS A 107 7.762 -1.623 -1.012 1.00 0.00 C ATOM 878 O LYS A 107 8.037 -0.830 -0.113 1.00 0.00 O ATOM 879 CB LYS A 107 6.559 -3.853 -0.628 1.00 0.00 C ATOM 880 CG LYS A 107 7.252 -4.016 0.727 1.00 0.00 C ATOM 881 CD LYS A 107 7.317 -5.488 1.136 1.00 0.00 C ATOM 882 CE LYS A 107 8.530 -6.179 0.509 1.00 0.00 C ATOM 883 NZ LYS A 107 9.781 -5.701 1.139 1.00 0.00 N ATOM 0 H LYS A 107 5.554 -3.116 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 107 5.814 -1.924 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.571 -4.311 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.126 -4.378 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.260 -3.604 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.714 -3.448 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.371 -5.565 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.404 -5.996 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.444 -7.259 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.556 -5.980 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.573 -6.305 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.964 -4.720 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.686 -5.741 2.174 1.00 0.00 H new ATOM 897 N LYS A 108 8.554 -1.900 -2.037 1.00 0.00 N ATOM 898 CA LYS A 108 9.867 -1.290 -2.155 1.00 0.00 C ATOM 899 C LYS A 108 9.728 0.231 -2.057 1.00 0.00 C ATOM 900 O LYS A 108 10.548 0.893 -1.423 1.00 0.00 O ATOM 901 CB LYS A 108 10.565 -1.762 -3.432 1.00 0.00 C ATOM 902 CG LYS A 108 11.172 -3.154 -3.242 1.00 0.00 C ATOM 903 CD LYS A 108 12.594 -3.062 -2.686 1.00 0.00 C ATOM 904 CE LYS A 108 13.577 -2.612 -3.769 1.00 0.00 C ATOM 905 NZ LYS A 108 14.962 -2.976 -3.395 1.00 0.00 N ATOM 0 H LYS A 108 8.311 -2.539 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 108 10.509 -1.606 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.851 -1.782 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.347 -1.054 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.549 -3.736 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.184 -3.682 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.618 -2.359 -1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.899 -4.032 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.317 -3.076 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.503 -1.534 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.616 -2.664 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.212 -2.513 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.032 -4.008 -3.283 1.00 0.00 H new ATOM 919 N ALA A 109 8.683 0.741 -2.694 1.00 0.00 N ATOM 920 CA ALA A 109 8.470 2.175 -2.754 1.00 0.00 C ATOM 921 C ALA A 109 8.186 2.704 -1.346 1.00 0.00 C ATOM 922 O ALA A 109 8.692 3.757 -0.959 1.00 0.00 O ATOM 923 CB ALA A 109 7.336 2.484 -3.732 1.00 0.00 C ATOM 0 H ALA A 109 7.975 0.185 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 109 9.363 2.679 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.177 3.561 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.600 2.115 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.422 1.996 -3.395 1.00 0.00 H new ATOM 929 N LEU A 110 7.378 1.948 -0.617 1.00 0.00 N ATOM 930 CA LEU A 110 7.029 2.322 0.743 1.00 0.00 C ATOM 931 C LEU A 110 8.290 2.314 1.609 1.00 0.00 C ATOM 932 O LEU A 110 8.518 3.240 2.387 1.00 0.00 O ATOM 933 CB LEU A 110 5.912 1.422 1.276 1.00 0.00 C ATOM 934 CG LEU A 110 4.485 1.839 0.915 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.891 2.750 1.992 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.436 2.484 -0.471 1.00 0.00 C ATOM 0 H LEU A 110 6.955 1.079 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 110 6.630 3.336 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.079 0.411 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.993 1.380 2.362 1.00 0.00 H new ATOM 0 HG LEU A 110 3.867 0.942 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.876 3.032 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.870 2.221 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.503 3.647 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.410 2.771 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.072 3.369 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.791 1.772 -1.216 1.00 0.00 H new ATOM 948 N GLU A 111 9.075 1.260 1.446 1.00 0.00 N ATOM 949 CA GLU A 111 10.284 1.097 2.236 1.00 0.00 C ATOM 950 C GLU A 111 11.282 2.210 1.913 1.00 0.00 C ATOM 951 O GLU A 111 11.958 2.722 2.807 1.00 0.00 O ATOM 952 CB GLU A 111 10.907 -0.282 2.008 1.00 0.00 C ATOM 953 CG GLU A 111 10.030 -1.384 2.603 1.00 0.00 C ATOM 954 CD GLU A 111 10.622 -2.767 2.323 1.00 0.00 C ATOM 955 OE1 GLU A 111 10.718 -3.110 1.124 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.964 -3.450 3.312 1.00 0.00 O ATOM 0 H GLU A 111 8.898 0.510 0.778 1.00 0.00 H new ATOM 0 HA GLU A 111 10.018 1.168 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.038 -0.454 0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.898 -0.317 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.934 -1.236 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.026 -1.322 2.182 1.00 0.00 H new ATOM 963 N GLU A 112 11.346 2.553 0.635 1.00 0.00 N ATOM 964 CA GLU A 112 12.231 3.615 0.189 1.00 0.00 C ATOM 965 C GLU A 112 11.928 4.912 0.941 1.00 0.00 C ATOM 966 O GLU A 112 12.837 5.677 1.258 1.00 0.00 O ATOM 967 CB GLU A 112 12.121 3.821 -1.323 1.00 0.00 C ATOM 968 CG GLU A 112 12.888 2.735 -2.082 1.00 0.00 C ATOM 969 CD GLU A 112 14.342 3.152 -2.314 1.00 0.00 C ATOM 970 OE1 GLU A 112 14.547 4.046 -3.163 1.00 0.00 O ATOM 971 OE2 GLU A 112 15.215 2.568 -1.638 1.00 0.00 O ATOM 0 H GLU A 112 10.799 2.114 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 112 13.257 3.321 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.072 3.806 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.514 4.802 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.859 1.803 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.403 2.544 -3.039 1.00 0.00 H new ATOM 978 N ALA A 113 10.647 5.120 1.206 1.00 0.00 N ATOM 979 CA ALA A 113 10.210 6.322 1.895 1.00 0.00 C ATOM 980 C ALA A 113 10.421 6.148 3.400 1.00 0.00 C ATOM 981 O ALA A 113 10.642 7.123 4.116 1.00 0.00 O ATOM 982 CB ALA A 113 8.751 6.612 1.541 1.00 0.00 C ATOM 0 H ALA A 113 9.897 4.476 0.956 1.00 0.00 H new ATOM 0 HA ALA A 113 10.800 7.182 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.423 7.514 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.660 6.757 0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.128 5.772 1.848 1.00 0.00 H new ATOM 988 N GLY A 114 10.345 4.898 3.835 1.00 0.00 N ATOM 989 CA GLY A 114 10.537 4.582 5.240 1.00 0.00 C ATOM 990 C GLY A 114 9.203 4.258 5.916 1.00 0.00 C ATOM 991 O GLY A 114 9.079 4.364 7.135 1.00 0.00 O ATOM 0 H GLY A 114 10.153 4.093 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.213 3.733 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.009 5.425 5.745 1.00 0.00 H new ATOM 995 N ALA A 115 8.239 3.872 5.094 1.00 0.00 N ATOM 996 CA ALA A 115 6.915 3.543 5.595 1.00 0.00 C ATOM 997 C ALA A 115 6.854 2.050 5.921 1.00 0.00 C ATOM 998 O ALA A 115 7.738 1.290 5.532 1.00 0.00 O ATOM 999 CB ALA A 115 5.861 3.961 4.567 1.00 0.00 C ATOM 0 H ALA A 115 8.348 3.780 4.084 1.00 0.00 H new ATOM 0 HA ALA A 115 6.706 4.089 6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.868 3.714 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.927 5.035 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.036 3.432 3.630 1.00 0.00 H new ATOM 1005 N GLU A 116 5.800 1.675 6.631 1.00 0.00 N ATOM 1006 CA GLU A 116 5.614 0.286 7.018 1.00 0.00 C ATOM 1007 C GLU A 116 4.488 -0.346 6.196 1.00 0.00 C ATOM 1008 O GLU A 116 3.359 0.139 6.208 1.00 0.00 O ATOM 1009 CB GLU A 116 5.333 0.166 8.516 1.00 0.00 C ATOM 1010 CG GLU A 116 5.195 -1.300 8.933 1.00 0.00 C ATOM 1011 CD GLU A 116 5.155 -1.435 10.457 1.00 0.00 C ATOM 1012 OE1 GLU A 116 6.253 -1.470 11.053 1.00 0.00 O ATOM 1013 OE2 GLU A 116 4.027 -1.502 10.990 1.00 0.00 O ATOM 0 H GLU A 116 5.066 2.308 6.948 1.00 0.00 H new ATOM 0 HA GLU A 116 6.537 -0.255 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.140 0.634 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.418 0.705 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.286 -1.720 8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.031 -1.875 8.535 1.00 0.00 H new ATOM 1020 N VAL A 117 4.837 -1.420 5.502 1.00 0.00 N ATOM 1021 CA VAL A 117 3.870 -2.123 4.677 1.00 0.00 C ATOM 1022 C VAL A 117 3.556 -3.480 5.308 1.00 0.00 C ATOM 1023 O VAL A 117 4.319 -3.974 6.138 1.00 0.00 O ATOM 1024 CB VAL A 117 4.393 -2.238 3.242 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.875 -3.511 2.570 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.027 -0.998 2.425 1.00 0.00 C ATOM 0 H VAL A 117 5.775 -1.820 5.494 1.00 0.00 H new ATOM 0 HA VAL A 117 2.935 -1.565 4.626 1.00 0.00 H new ATOM 0 HB VAL A 117 5.480 -2.302 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.261 -3.568 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 117 4.209 -4.382 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.785 -3.491 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.410 -1.105 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.943 -0.890 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.467 -0.115 2.888 1.00 0.00 H new ATOM 1036 N GLU A 118 2.433 -4.046 4.891 1.00 0.00 N ATOM 1037 CA GLU A 118 2.034 -5.359 5.370 1.00 0.00 C ATOM 1038 C GLU A 118 1.461 -6.191 4.221 1.00 0.00 C ATOM 1039 O GLU A 118 0.580 -5.730 3.497 1.00 0.00 O ATOM 1040 CB GLU A 118 1.028 -5.241 6.518 1.00 0.00 C ATOM 1041 CG GLU A 118 0.474 -6.614 6.904 1.00 0.00 C ATOM 1042 CD GLU A 118 1.562 -7.489 7.529 1.00 0.00 C ATOM 1043 OE1 GLU A 118 2.363 -8.044 6.747 1.00 0.00 O ATOM 1044 OE2 GLU A 118 1.568 -7.582 8.775 1.00 0.00 O ATOM 0 H GLU A 118 1.787 -3.620 4.227 1.00 0.00 H new ATOM 0 HA GLU A 118 2.917 -5.868 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.509 -4.783 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.210 -4.584 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.349 -6.493 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.068 -7.108 6.021 1.00 0.00 H new ATOM 1051 N VAL A 119 1.982 -7.402 4.092 1.00 0.00 N ATOM 1052 CA VAL A 119 1.508 -8.315 3.067 1.00 0.00 C ATOM 1053 C VAL A 119 0.633 -9.392 3.714 1.00 0.00 C ATOM 1054 O VAL A 119 1.072 -10.085 4.631 1.00 0.00 O ATOM 1055 CB VAL A 119 2.693 -8.894 2.293 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.216 -9.765 1.129 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.622 -7.783 1.801 1.00 0.00 C ATOM 0 H VAL A 119 2.728 -7.772 4.681 1.00 0.00 H new ATOM 0 HA VAL A 119 0.890 -7.786 2.341 1.00 0.00 H new ATOM 0 HB VAL A 119 3.260 -9.528 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.079 -10.164 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.614 -10.589 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 119 1.614 -9.164 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.456 -8.222 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.070 -7.112 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.003 -7.223 2.655 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.587 -9.499 3.212 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.527 -10.478 3.729 1.00 0.00 C ATOM 1069 C LYS A 120 -2.202 -11.199 2.560 1.00 0.00 C ATOM 1070 O LYS A 120 -2.026 -10.815 1.405 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.512 -9.818 4.695 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.015 -9.920 6.139 1.00 0.00 C ATOM 1073 CD LYS A 120 -2.907 -9.111 7.084 1.00 0.00 C ATOM 1074 CE LYS A 120 -2.409 -9.213 8.528 1.00 0.00 C ATOM 1075 NZ LYS A 120 -3.330 -8.504 9.443 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.943 -12.202 2.892 1.00 0.00 O ATOM 0 H LYS A 120 -0.947 -8.923 2.451 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.004 -11.236 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.645 -8.770 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.488 -10.296 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.002 -10.965 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -0.989 -9.556 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -2.920 -8.066 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -3.933 -9.475 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -2.332 -10.260 8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -1.409 -8.786 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -2.979 -8.582 10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -3.383 -7.501 9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.277 -8.930 9.381 1.00 0.00 H new