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+ -175:sc= 0.675 (180deg=0.668) USER MOD Single : A 64 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -73:sc= 1.06 USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 0.861 (180deg=0.565) USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00546) USER MOD Single : A 89 SER OG : rot 90:sc= 1.2 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 147:sc= -0.827 USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= 1.21 (180deg=-0.214) USER MOD Single : A 107 LYS NZ :NH3+ -172:sc= -0.0364 (180deg=-0.128) USER MOD Single : A 108 LYS NZ :NH3+ -113:sc= 1.04 (180deg=-0.771) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.312 -13.909 -5.763 1.00 0.00 N ATOM 88 CA GLU A 53 -2.317 -12.950 -5.341 1.00 0.00 C ATOM 89 C GLU A 53 -2.045 -12.493 -3.905 1.00 0.00 C ATOM 90 O GLU A 53 -2.404 -13.182 -2.952 1.00 0.00 O ATOM 91 CB GLU A 53 -3.725 -13.537 -5.471 1.00 0.00 C ATOM 92 CG GLU A 53 -4.134 -13.658 -6.938 1.00 0.00 C ATOM 93 CD GLU A 53 -5.583 -14.135 -7.067 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.478 -13.313 -6.777 1.00 0.00 O ATOM 95 OE2 GLU A 53 -5.761 -15.310 -7.452 1.00 0.00 O ATOM 0 HA GLU A 53 -2.259 -12.081 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.759 -14.519 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.437 -12.904 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.020 -12.693 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.471 -14.357 -7.448 1.00 0.00 H new ATOM 102 N PHE A 54 -1.413 -11.333 -3.799 1.00 0.00 N ATOM 103 CA PHE A 54 -1.087 -10.777 -2.497 1.00 0.00 C ATOM 104 C PHE A 54 -1.841 -9.465 -2.257 1.00 0.00 C ATOM 105 O PHE A 54 -2.181 -8.759 -3.206 1.00 0.00 O ATOM 106 CB PHE A 54 0.417 -10.493 -2.494 1.00 0.00 C ATOM 107 CG PHE A 54 1.284 -11.739 -2.690 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.419 -12.284 -3.928 1.00 0.00 C ATOM 109 CD2 PHE A 54 1.919 -12.299 -1.625 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.224 -13.441 -4.109 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.723 -13.456 -1.807 1.00 0.00 C ATOM 112 CZ PHE A 54 2.860 -14.001 -3.045 1.00 0.00 C ATOM 0 H PHE A 54 -1.118 -10.764 -4.593 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.370 -11.478 -1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.643 -9.777 -3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.686 -10.020 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.915 -11.838 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.812 -11.864 -0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.331 -13.876 -5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.225 -13.903 -0.962 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.474 -14.879 -3.184 1.00 0.00 H new ATOM 122 N ASP A 55 -2.079 -9.182 -0.986 1.00 0.00 N ATOM 123 CA ASP A 55 -2.779 -7.964 -0.610 1.00 0.00 C ATOM 124 C ASP A 55 -1.778 -6.968 -0.019 1.00 0.00 C ATOM 125 O ASP A 55 -0.887 -7.353 0.737 1.00 0.00 O ATOM 126 CB ASP A 55 -3.846 -8.246 0.450 1.00 0.00 C ATOM 127 CG ASP A 55 -4.850 -9.340 0.081 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.834 -9.750 -1.099 1.00 0.00 O ATOM 129 OD2 ASP A 55 -5.612 -9.740 0.988 1.00 0.00 O ATOM 0 H ASP A 55 -1.800 -9.774 -0.203 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.256 -7.560 -1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.349 -8.528 1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.392 -7.324 0.648 1.00 0.00 H new ATOM 134 N VAL A 56 -1.957 -5.709 -0.388 1.00 0.00 N ATOM 135 CA VAL A 56 -1.093 -4.653 0.110 1.00 0.00 C ATOM 136 C VAL A 56 -1.863 -3.808 1.128 1.00 0.00 C ATOM 137 O VAL A 56 -2.767 -3.059 0.761 1.00 0.00 O ATOM 138 CB VAL A 56 -0.545 -3.829 -1.057 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.298 -2.657 -0.554 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.257 -4.707 -2.020 1.00 0.00 C ATOM 0 H VAL A 56 -2.688 -5.396 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.230 -5.077 0.624 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.394 -3.420 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.675 -2.088 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.316 -2.010 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.137 -3.036 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.635 -4.096 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.094 -5.159 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.386 -5.492 -2.418 1.00 0.00 H new ATOM 150 N ILE A 57 -1.476 -3.958 2.386 1.00 0.00 N ATOM 151 CA ILE A 57 -2.103 -3.201 3.457 1.00 0.00 C ATOM 152 C ILE A 57 -1.123 -2.146 3.973 1.00 0.00 C ATOM 153 O ILE A 57 0.086 -2.372 3.985 1.00 0.00 O ATOM 154 CB ILE A 57 -2.622 -4.144 4.544 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.726 -5.054 4.002 1.00 0.00 C ATOM 156 CG2 ILE A 57 -3.081 -3.360 5.776 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.236 -6.498 3.880 1.00 0.00 C ATOM 0 H ILE A 57 -0.736 -4.592 2.688 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.978 -2.667 3.086 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.800 -4.787 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.592 -5.015 4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.053 -4.694 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.445 -4.054 6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.243 -2.791 6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.882 -2.676 5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.040 -7.124 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.386 -6.537 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.933 -6.863 4.861 1.00 0.00 H new ATOM 169 N LEU A 58 -1.681 -1.018 4.386 1.00 0.00 N ATOM 170 CA LEU A 58 -0.874 0.060 4.932 1.00 0.00 C ATOM 171 C LEU A 58 -1.096 0.144 6.443 1.00 0.00 C ATOM 172 O LEU A 58 -2.213 0.388 6.897 1.00 0.00 O ATOM 173 CB LEU A 58 -1.159 1.369 4.195 1.00 0.00 C ATOM 174 CG LEU A 58 -0.350 2.585 4.649 1.00 0.00 C ATOM 175 CD1 LEU A 58 1.143 2.381 4.380 1.00 0.00 C ATOM 176 CD2 LEU A 58 -0.878 3.869 4.004 1.00 0.00 C ATOM 0 H LEU A 58 -2.682 -0.827 4.354 1.00 0.00 H new ATOM 0 HA LEU A 58 0.186 -0.142 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.975 1.212 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.218 1.601 4.304 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.472 2.693 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.696 3.260 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.494 1.504 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.303 2.233 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.285 4.718 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.806 3.788 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.920 4.017 4.288 1.00 0.00 H new ATOM 188 N LYS A 59 -0.015 -0.065 7.182 1.00 0.00 N ATOM 189 CA LYS A 59 -0.088 -0.059 8.633 1.00 0.00 C ATOM 190 C LYS A 59 0.291 1.330 9.152 1.00 0.00 C ATOM 191 O LYS A 59 -0.468 1.945 9.899 1.00 0.00 O ATOM 192 CB LYS A 59 0.764 -1.187 9.216 1.00 0.00 C ATOM 193 CG LYS A 59 0.004 -2.515 9.195 1.00 0.00 C ATOM 194 CD LYS A 59 0.841 -3.637 9.815 1.00 0.00 C ATOM 195 CE LYS A 59 0.967 -3.453 11.329 1.00 0.00 C ATOM 196 NZ LYS A 59 2.357 -3.098 11.694 1.00 0.00 N ATOM 0 H LYS A 59 0.916 -0.239 6.802 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.107 -0.257 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.687 -1.283 8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.047 -0.942 10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.933 -2.410 9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.254 -2.774 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.381 -4.601 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.833 -3.649 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.286 -2.671 11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.674 -4.371 11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.445 -3.060 12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.009 -3.815 11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.595 -2.169 11.292 1.00 0.00 H new ATOM 210 N ALA A 60 1.465 1.782 8.736 1.00 0.00 N ATOM 211 CA ALA A 60 1.969 3.071 9.178 1.00 0.00 C ATOM 212 C ALA A 60 2.635 3.782 7.998 1.00 0.00 C ATOM 213 O ALA A 60 3.551 3.242 7.379 1.00 0.00 O ATOM 214 CB ALA A 60 2.926 2.871 10.354 1.00 0.00 C ATOM 0 H ALA A 60 2.081 1.279 8.098 1.00 0.00 H new ATOM 0 HA ALA A 60 1.153 3.703 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.303 3.839 10.685 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.397 2.388 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.761 2.244 10.041 1.00 0.00 H new ATOM 220 N ALA A 61 2.150 4.985 7.722 1.00 0.00 N ATOM 221 CA ALA A 61 2.719 5.796 6.660 1.00 0.00 C ATOM 222 C ALA A 61 4.146 6.197 7.038 1.00 0.00 C ATOM 223 O ALA A 61 4.976 6.447 6.166 1.00 0.00 O ATOM 224 CB ALA A 61 1.820 7.007 6.404 1.00 0.00 C ATOM 0 H ALA A 61 1.369 5.417 8.216 1.00 0.00 H new ATOM 0 HA ALA A 61 2.772 5.229 5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.247 7.615 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.827 6.667 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.744 7.602 7.314 1.00 0.00 H new ATOM 230 N GLY A 62 4.386 6.247 8.340 1.00 0.00 N ATOM 231 CA GLY A 62 5.691 6.635 8.846 1.00 0.00 C ATOM 232 C GLY A 62 5.866 8.154 8.804 1.00 0.00 C ATOM 233 O GLY A 62 4.888 8.892 8.687 1.00 0.00 O ATOM 0 H GLY A 62 3.698 6.025 9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.808 6.280 9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.471 6.159 8.252 1.00 0.00 H new ATOM 237 N ALA A 63 7.118 8.578 8.901 1.00 0.00 N ATOM 238 CA ALA A 63 7.428 9.998 8.931 1.00 0.00 C ATOM 239 C ALA A 63 7.643 10.497 7.500 1.00 0.00 C ATOM 240 O ALA A 63 8.519 11.324 7.254 1.00 0.00 O ATOM 241 CB ALA A 63 8.649 10.235 9.821 1.00 0.00 C ATOM 0 H ALA A 63 7.930 7.963 8.960 1.00 0.00 H new ATOM 0 HA ALA A 63 6.600 10.564 9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.882 11.300 9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.435 9.889 10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.502 9.686 9.422 1.00 0.00 H new ATOM 247 N ASN A 64 6.831 9.972 6.595 1.00 0.00 N ATOM 248 CA ASN A 64 6.923 10.351 5.196 1.00 0.00 C ATOM 249 C ASN A 64 5.565 10.144 4.525 1.00 0.00 C ATOM 250 O ASN A 64 5.460 9.418 3.538 1.00 0.00 O ATOM 251 CB ASN A 64 7.951 9.491 4.459 1.00 0.00 C ATOM 252 CG ASN A 64 8.697 10.309 3.405 1.00 0.00 C ATOM 253 OD1 ASN A 64 8.430 10.232 2.217 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.647 11.096 3.903 1.00 0.00 N ATOM 0 H ASN A 64 6.105 9.286 6.804 1.00 0.00 H new ATOM 0 HA ASN A 64 7.228 11.396 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.663 9.077 5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.450 8.648 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.202 11.682 3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.820 11.113 4.908 1.00 0.00 H new ATOM 261 N LYS A 65 4.557 10.796 5.087 1.00 0.00 N ATOM 262 CA LYS A 65 3.202 10.660 4.580 1.00 0.00 C ATOM 263 C LYS A 65 3.146 11.176 3.141 1.00 0.00 C ATOM 264 O LYS A 65 2.293 10.757 2.359 1.00 0.00 O ATOM 265 CB LYS A 65 2.207 11.346 5.518 1.00 0.00 C ATOM 266 CG LYS A 65 0.941 10.504 5.688 1.00 0.00 C ATOM 267 CD LYS A 65 -0.139 11.283 6.438 1.00 0.00 C ATOM 268 CE LYS A 65 0.235 11.462 7.910 1.00 0.00 C ATOM 269 NZ LYS A 65 0.587 12.874 8.187 1.00 0.00 N ATOM 0 H LYS A 65 4.652 11.420 5.888 1.00 0.00 H new ATOM 0 HA LYS A 65 2.909 9.610 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.672 11.510 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.945 12.327 5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.565 10.205 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.179 9.590 6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.277 12.259 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.090 10.757 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.599 11.158 8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.077 10.816 8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.838 12.979 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.397 13.152 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.227 13.484 7.969 1.00 0.00 H new ATOM 283 N VAL A 66 4.066 12.079 2.833 1.00 0.00 N ATOM 284 CA VAL A 66 4.094 12.703 1.521 1.00 0.00 C ATOM 285 C VAL A 66 4.277 11.625 0.451 1.00 0.00 C ATOM 286 O VAL A 66 3.384 11.396 -0.362 1.00 0.00 O ATOM 287 CB VAL A 66 5.180 13.780 1.477 1.00 0.00 C ATOM 288 CG1 VAL A 66 5.318 14.360 0.068 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.900 14.883 2.499 1.00 0.00 C ATOM 0 H VAL A 66 4.798 12.393 3.470 1.00 0.00 H new ATOM 0 HA VAL A 66 3.148 13.205 1.317 1.00 0.00 H new ATOM 0 HB VAL A 66 6.128 13.312 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.096 15.123 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.585 13.565 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.371 14.806 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.687 15.636 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.939 15.347 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.875 14.453 3.500 1.00 0.00 H new ATOM 299 N ALA A 67 5.441 10.991 0.488 1.00 0.00 N ATOM 300 CA ALA A 67 5.776 9.984 -0.504 1.00 0.00 C ATOM 301 C ALA A 67 4.684 8.912 -0.526 1.00 0.00 C ATOM 302 O ALA A 67 4.297 8.438 -1.592 1.00 0.00 O ATOM 303 CB ALA A 67 7.157 9.405 -0.196 1.00 0.00 C ATOM 0 H ALA A 67 6.163 11.156 1.189 1.00 0.00 H new ATOM 0 HA ALA A 67 5.823 10.426 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.409 8.649 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.900 10.202 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.148 8.950 0.795 1.00 0.00 H new ATOM 309 N VAL A 68 4.221 8.562 0.665 1.00 0.00 N ATOM 310 CA VAL A 68 3.203 7.533 0.798 1.00 0.00 C ATOM 311 C VAL A 68 1.981 7.919 -0.040 1.00 0.00 C ATOM 312 O VAL A 68 1.638 7.229 -0.997 1.00 0.00 O ATOM 313 CB VAL A 68 2.869 7.316 2.275 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.549 6.560 2.433 1.00 0.00 C ATOM 315 CG2 VAL A 68 4.007 6.587 2.993 1.00 0.00 C ATOM 0 H VAL A 68 4.531 8.972 1.546 1.00 0.00 H new ATOM 0 HA VAL A 68 3.571 6.580 0.418 1.00 0.00 H new ATOM 0 HB VAL A 68 2.752 8.295 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.335 6.419 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.744 7.133 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.626 5.588 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.744 6.445 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.169 5.616 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.919 7.180 2.925 1.00 0.00 H new ATOM 325 N ILE A 69 1.360 9.022 0.352 1.00 0.00 N ATOM 326 CA ILE A 69 0.147 9.472 -0.309 1.00 0.00 C ATOM 327 C ILE A 69 0.351 9.426 -1.826 1.00 0.00 C ATOM 328 O ILE A 69 -0.575 9.106 -2.571 1.00 0.00 O ATOM 329 CB ILE A 69 -0.270 10.847 0.213 1.00 0.00 C ATOM 330 CG1 ILE A 69 -0.923 10.734 1.592 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.174 11.566 -0.791 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.799 12.049 2.367 1.00 0.00 C ATOM 0 H ILE A 69 1.674 9.617 1.119 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.683 8.804 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 69 0.628 11.454 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.975 10.472 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.452 9.929 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.455 12.541 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.640 11.698 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.071 10.972 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.271 11.942 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.254 12.296 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.292 12.847 1.811 1.00 0.00 H new ATOM 344 N LYS A 70 1.567 9.751 -2.237 1.00 0.00 N ATOM 345 CA LYS A 70 1.904 9.751 -3.651 1.00 0.00 C ATOM 346 C LYS A 70 1.825 8.322 -4.189 1.00 0.00 C ATOM 347 O LYS A 70 1.138 8.064 -5.177 1.00 0.00 O ATOM 348 CB LYS A 70 3.260 10.422 -3.877 1.00 0.00 C ATOM 349 CG LYS A 70 3.173 11.931 -3.650 1.00 0.00 C ATOM 350 CD LYS A 70 3.742 12.701 -4.843 1.00 0.00 C ATOM 351 CE LYS A 70 5.269 12.607 -4.878 1.00 0.00 C ATOM 352 NZ LYS A 70 5.807 13.356 -6.035 1.00 0.00 N ATOM 0 H LYS A 70 2.332 10.016 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 70 1.184 10.343 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.999 9.992 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.603 10.223 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.134 12.218 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.721 12.198 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.328 12.302 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.440 13.747 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.685 13.006 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.574 11.562 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.844 13.282 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.424 12.957 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.532 14.356 -5.960 1.00 0.00 H new ATOM 366 N ALA A 71 2.537 7.430 -3.517 1.00 0.00 N ATOM 367 CA ALA A 71 2.557 6.033 -3.916 1.00 0.00 C ATOM 368 C ALA A 71 1.121 5.510 -3.997 1.00 0.00 C ATOM 369 O ALA A 71 0.766 4.808 -4.943 1.00 0.00 O ATOM 370 CB ALA A 71 3.414 5.233 -2.933 1.00 0.00 C ATOM 0 H ALA A 71 3.105 7.648 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 71 3.005 5.922 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.429 4.185 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.431 5.625 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.994 5.318 -1.931 1.00 0.00 H new ATOM 376 N VAL A 72 0.336 5.873 -2.994 1.00 0.00 N ATOM 377 CA VAL A 72 -1.046 5.428 -2.929 1.00 0.00 C ATOM 378 C VAL A 72 -1.788 5.894 -4.183 1.00 0.00 C ATOM 379 O VAL A 72 -2.105 5.086 -5.056 1.00 0.00 O ATOM 380 CB VAL A 72 -1.694 5.925 -1.634 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.183 5.577 -1.596 1.00 0.00 C ATOM 382 CG2 VAL A 72 -0.969 5.363 -0.408 1.00 0.00 C ATOM 0 H VAL A 72 0.630 6.469 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.096 4.339 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.603 7.011 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.618 5.942 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.688 6.046 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.305 4.495 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.449 5.731 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.014 4.274 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.073 5.683 -0.423 1.00 0.00 H new ATOM 392 N ARG A 73 -2.041 7.194 -4.234 1.00 0.00 N ATOM 393 CA ARG A 73 -2.761 7.772 -5.357 1.00 0.00 C ATOM 394 C ARG A 73 -2.170 7.277 -6.678 1.00 0.00 C ATOM 395 O ARG A 73 -2.891 7.111 -7.661 1.00 0.00 O ATOM 396 CB ARG A 73 -2.703 9.299 -5.320 1.00 0.00 C ATOM 397 CG ARG A 73 -3.635 9.910 -6.369 1.00 0.00 C ATOM 398 CD ARG A 73 -3.842 11.404 -6.116 1.00 0.00 C ATOM 399 NE ARG A 73 -4.710 11.979 -7.169 1.00 0.00 N ATOM 400 CZ ARG A 73 -5.135 13.250 -7.180 1.00 0.00 C ATOM 401 NH1 ARG A 73 -4.721 14.104 -6.233 1.00 0.00 N ATOM 402 NH2 ARG A 73 -5.974 13.668 -8.137 1.00 0.00 N ATOM 0 H ARG A 73 -1.761 7.863 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.802 7.458 -5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.984 9.653 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.681 9.632 -5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.216 9.761 -7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.597 9.398 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.295 11.556 -5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.880 11.917 -6.106 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.003 11.370 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.082 13.786 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.045 15.071 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.290 13.019 -8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.297 14.635 -8.145 1.00 0.00 H new ATOM 416 N GLY A 74 -0.864 7.057 -6.660 1.00 0.00 N ATOM 417 CA GLY A 74 -0.159 6.631 -7.858 1.00 0.00 C ATOM 418 C GLY A 74 -0.500 5.182 -8.207 1.00 0.00 C ATOM 419 O GLY A 74 -0.561 4.821 -9.381 1.00 0.00 O ATOM 0 H GLY A 74 -0.275 7.166 -5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.424 7.282 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.916 6.729 -7.706 1.00 0.00 H new ATOM 423 N ALA A 75 -0.713 4.390 -7.166 1.00 0.00 N ATOM 424 CA ALA A 75 -0.980 2.972 -7.347 1.00 0.00 C ATOM 425 C ALA A 75 -2.472 2.769 -7.619 1.00 0.00 C ATOM 426 O ALA A 75 -2.869 1.753 -8.189 1.00 0.00 O ATOM 427 CB ALA A 75 -0.501 2.202 -6.115 1.00 0.00 C ATOM 0 H ALA A 75 -0.706 4.703 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.433 2.584 -8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.701 1.139 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.570 2.356 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.030 2.562 -5.233 1.00 0.00 H new ATOM 433 N THR A 76 -3.256 3.750 -7.200 1.00 0.00 N ATOM 434 CA THR A 76 -4.699 3.673 -7.356 1.00 0.00 C ATOM 435 C THR A 76 -5.202 4.812 -8.243 1.00 0.00 C ATOM 436 O THR A 76 -5.529 4.600 -9.409 1.00 0.00 O ATOM 437 CB THR A 76 -5.326 3.667 -5.960 1.00 0.00 C ATOM 438 OG1 THR A 76 -4.932 4.915 -5.397 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.690 2.624 -5.038 1.00 0.00 C ATOM 0 H THR A 76 -2.920 4.603 -6.752 1.00 0.00 H new ATOM 0 HA THR A 76 -4.993 2.755 -7.864 1.00 0.00 H new ATOM 0 HB THR A 76 -6.396 3.474 -6.043 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.981 4.882 -5.161 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.171 2.661 -4.060 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.819 1.631 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.627 2.836 -4.928 1.00 0.00 H new ATOM 447 N GLY A 77 -5.247 6.000 -7.655 1.00 0.00 N ATOM 448 CA GLY A 77 -5.727 7.171 -8.371 1.00 0.00 C ATOM 449 C GLY A 77 -6.970 7.753 -7.696 1.00 0.00 C ATOM 450 O GLY A 77 -7.743 8.473 -8.327 1.00 0.00 O ATOM 0 H GLY A 77 -4.959 6.176 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.942 7.926 -8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.960 6.902 -9.401 1.00 0.00 H new ATOM 454 N LEU A 78 -7.125 7.421 -6.422 1.00 0.00 N ATOM 455 CA LEU A 78 -8.244 7.927 -5.647 1.00 0.00 C ATOM 456 C LEU A 78 -8.051 9.426 -5.401 1.00 0.00 C ATOM 457 O LEU A 78 -6.924 9.917 -5.392 1.00 0.00 O ATOM 458 CB LEU A 78 -8.419 7.112 -4.365 1.00 0.00 C ATOM 459 CG LEU A 78 -8.879 5.665 -4.548 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.443 4.797 -3.367 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.390 5.594 -4.783 1.00 0.00 C ATOM 0 H LEU A 78 -6.493 6.807 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.175 7.811 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.470 7.106 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.140 7.624 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.395 5.264 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.783 3.773 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.356 4.810 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.879 5.188 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.690 4.554 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.912 6.020 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.646 6.157 -5.680 1.00 0.00 H new ATOM 473 N GLY A 79 -9.170 10.109 -5.209 1.00 0.00 N ATOM 474 CA GLY A 79 -9.137 11.538 -4.946 1.00 0.00 C ATOM 475 C GLY A 79 -8.212 11.858 -3.770 1.00 0.00 C ATOM 476 O GLY A 79 -8.127 11.090 -2.814 1.00 0.00 O ATOM 0 H GLY A 79 -10.104 9.700 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.796 12.067 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.144 11.895 -4.729 1.00 0.00 H new ATOM 480 N LEU A 80 -7.541 12.997 -3.880 1.00 0.00 N ATOM 481 CA LEU A 80 -6.628 13.429 -2.837 1.00 0.00 C ATOM 482 C LEU A 80 -7.238 13.122 -1.469 1.00 0.00 C ATOM 483 O LEU A 80 -6.575 12.552 -0.603 1.00 0.00 O ATOM 484 CB LEU A 80 -6.255 14.900 -3.028 1.00 0.00 C ATOM 485 CG LEU A 80 -4.902 15.330 -2.458 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.346 16.538 -3.215 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.998 15.591 -0.953 1.00 0.00 C ATOM 0 H LEU A 80 -7.612 13.632 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.691 12.875 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.263 15.120 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.031 15.513 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.197 14.510 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.384 16.823 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.216 16.280 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.042 17.373 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.022 15.895 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.723 16.383 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.317 14.681 -0.445 1.00 0.00 H new ATOM 499 N LYS A 81 -8.495 13.512 -1.316 1.00 0.00 N ATOM 500 CA LYS A 81 -9.196 13.304 -0.060 1.00 0.00 C ATOM 501 C LYS A 81 -9.233 11.807 0.256 1.00 0.00 C ATOM 502 O LYS A 81 -8.628 11.361 1.230 1.00 0.00 O ATOM 503 CB LYS A 81 -10.579 13.958 -0.104 1.00 0.00 C ATOM 504 CG LYS A 81 -11.445 13.488 1.066 1.00 0.00 C ATOM 505 CD LYS A 81 -12.665 14.394 1.245 1.00 0.00 C ATOM 506 CE LYS A 81 -13.672 13.773 2.215 1.00 0.00 C ATOM 507 NZ LYS A 81 -13.049 13.555 3.539 1.00 0.00 N ATOM 0 H LYS A 81 -9.046 13.971 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.665 13.790 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.474 15.042 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.071 13.714 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.772 12.463 0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.854 13.483 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.348 15.368 1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.142 14.563 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.538 14.427 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.033 12.825 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.791 13.394 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.425 12.724 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.493 14.393 3.803 1.00 0.00 H new ATOM 521 N GLU A 82 -9.948 11.075 -0.585 1.00 0.00 N ATOM 522 CA GLU A 82 -10.109 9.645 -0.380 1.00 0.00 C ATOM 523 C GLU A 82 -8.786 9.023 0.072 1.00 0.00 C ATOM 524 O GLU A 82 -8.752 8.258 1.035 1.00 0.00 O ATOM 525 CB GLU A 82 -10.628 8.966 -1.648 1.00 0.00 C ATOM 526 CG GLU A 82 -12.068 9.390 -1.948 1.00 0.00 C ATOM 527 CD GLU A 82 -12.105 10.501 -3.000 1.00 0.00 C ATOM 528 OE1 GLU A 82 -11.964 11.674 -2.594 1.00 0.00 O ATOM 529 OE2 GLU A 82 -12.273 10.150 -4.189 1.00 0.00 O ATOM 0 H GLU A 82 -10.422 11.444 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.849 9.490 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.986 9.223 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.581 7.883 -1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.638 8.531 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.547 9.735 -1.032 1.00 0.00 H new ATOM 536 N ALA A 83 -7.729 9.371 -0.646 1.00 0.00 N ATOM 537 CA ALA A 83 -6.415 8.816 -0.364 1.00 0.00 C ATOM 538 C ALA A 83 -5.994 9.208 1.054 1.00 0.00 C ATOM 539 O ALA A 83 -5.537 8.366 1.825 1.00 0.00 O ATOM 540 CB ALA A 83 -5.420 9.295 -1.421 1.00 0.00 C ATOM 0 H ALA A 83 -7.755 10.031 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.441 7.727 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.435 8.879 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.749 8.965 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.365 10.383 -1.402 1.00 0.00 H new ATOM 546 N LYS A 84 -6.163 10.486 1.355 1.00 0.00 N ATOM 547 CA LYS A 84 -5.792 11.005 2.661 1.00 0.00 C ATOM 548 C LYS A 84 -6.521 10.210 3.745 1.00 0.00 C ATOM 549 O LYS A 84 -5.893 9.681 4.662 1.00 0.00 O ATOM 550 CB LYS A 84 -6.042 12.512 2.730 1.00 0.00 C ATOM 551 CG LYS A 84 -5.729 13.056 4.126 1.00 0.00 C ATOM 552 CD LYS A 84 -5.775 14.585 4.142 1.00 0.00 C ATOM 553 CE LYS A 84 -6.008 15.112 5.559 1.00 0.00 C ATOM 554 NZ LYS A 84 -4.845 14.807 6.423 1.00 0.00 N ATOM 0 H LYS A 84 -6.553 11.179 0.716 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.724 10.875 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.424 13.021 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.081 12.724 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.447 12.660 4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.743 12.715 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.839 14.985 3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.571 14.935 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.175 16.189 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.908 14.661 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.997 15.216 7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.735 13.776 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.985 15.215 6.004 1.00 0.00 H new ATOM 568 N ASP A 85 -7.838 10.150 3.605 1.00 0.00 N ATOM 569 CA ASP A 85 -8.664 9.465 4.586 1.00 0.00 C ATOM 570 C ASP A 85 -8.156 8.033 4.762 1.00 0.00 C ATOM 571 O ASP A 85 -7.992 7.561 5.886 1.00 0.00 O ATOM 572 CB ASP A 85 -10.121 9.397 4.125 1.00 0.00 C ATOM 573 CG ASP A 85 -10.901 10.706 4.251 1.00 0.00 C ATOM 574 OD1 ASP A 85 -11.056 11.168 5.402 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.323 11.218 3.190 1.00 0.00 O ATOM 0 H ASP A 85 -8.353 10.564 2.828 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.607 10.019 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.142 9.078 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.634 8.629 4.704 1.00 0.00 H new ATOM 580 N LEU A 86 -7.920 7.379 3.633 1.00 0.00 N ATOM 581 CA LEU A 86 -7.444 6.006 3.648 1.00 0.00 C ATOM 582 C LEU A 86 -6.260 5.892 4.610 1.00 0.00 C ATOM 583 O LEU A 86 -6.312 5.135 5.579 1.00 0.00 O ATOM 584 CB LEU A 86 -7.131 5.532 2.228 1.00 0.00 C ATOM 585 CG LEU A 86 -7.903 4.302 1.747 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.597 4.002 0.278 1.00 0.00 C ATOM 587 CD2 LEU A 86 -7.629 3.095 2.647 1.00 0.00 C ATOM 0 H LEU A 86 -8.050 7.775 2.702 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.221 5.337 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.330 6.353 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.065 5.315 2.165 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.969 4.520 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.159 3.123 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.884 4.856 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.530 3.813 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.190 2.235 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.564 2.866 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.938 3.324 3.667 1.00 0.00 H new ATOM 599 N VAL A 87 -5.219 6.655 4.309 1.00 0.00 N ATOM 600 CA VAL A 87 -3.999 6.601 5.096 1.00 0.00 C ATOM 601 C VAL A 87 -4.321 6.954 6.550 1.00 0.00 C ATOM 602 O VAL A 87 -3.776 6.352 7.474 1.00 0.00 O ATOM 603 CB VAL A 87 -2.938 7.515 4.481 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.684 7.565 5.355 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.595 7.074 3.056 1.00 0.00 C ATOM 0 H VAL A 87 -5.196 7.314 3.531 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.584 5.593 5.089 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.352 8.522 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.946 8.222 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.944 7.947 6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.268 6.562 5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.838 7.740 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.211 6.054 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.491 7.113 2.437 1.00 0.00 H new ATOM 615 N GLU A 88 -5.205 7.928 6.708 1.00 0.00 N ATOM 616 CA GLU A 88 -5.548 8.421 8.032 1.00 0.00 C ATOM 617 C GLU A 88 -6.400 7.392 8.777 1.00 0.00 C ATOM 618 O GLU A 88 -6.571 7.484 9.991 1.00 0.00 O ATOM 619 CB GLU A 88 -6.265 9.769 7.946 1.00 0.00 C ATOM 620 CG GLU A 88 -5.306 10.873 7.497 1.00 0.00 C ATOM 621 CD GLU A 88 -4.407 11.322 8.652 1.00 0.00 C ATOM 622 OE1 GLU A 88 -4.954 11.945 9.587 1.00 0.00 O ATOM 623 OE2 GLU A 88 -3.195 11.033 8.572 1.00 0.00 O ATOM 0 H GLU A 88 -5.694 8.389 5.941 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.626 8.573 8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.097 9.698 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.688 10.023 8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.691 10.512 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.875 11.724 7.122 1.00 0.00 H new ATOM 630 N SER A 89 -6.914 6.434 8.017 1.00 0.00 N ATOM 631 CA SER A 89 -7.778 5.414 8.583 1.00 0.00 C ATOM 632 C SER A 89 -7.008 4.100 8.730 1.00 0.00 C ATOM 633 O SER A 89 -7.610 3.031 8.825 1.00 0.00 O ATOM 634 CB SER A 89 -9.023 5.205 7.719 1.00 0.00 C ATOM 635 OG SER A 89 -9.750 6.417 7.528 1.00 0.00 O ATOM 0 H SER A 89 -6.748 6.344 7.015 1.00 0.00 H new ATOM 0 HA SER A 89 -8.104 5.750 9.567 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.728 4.802 6.750 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.670 4.464 8.189 1.00 0.00 H new ATOM 0 HG SER A 89 -9.416 6.876 6.729 1.00 0.00 H new ATOM 641 N ALA A 90 -5.690 4.222 8.744 1.00 0.00 N ATOM 642 CA ALA A 90 -4.832 3.059 8.895 1.00 0.00 C ATOM 643 C ALA A 90 -5.092 2.411 10.257 1.00 0.00 C ATOM 644 O ALA A 90 -5.442 3.096 11.217 1.00 0.00 O ATOM 645 CB ALA A 90 -3.371 3.475 8.718 1.00 0.00 C ATOM 0 H ALA A 90 -5.194 5.109 8.653 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.055 2.317 8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.728 2.602 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.232 3.902 7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.110 4.218 9.472 1.00 0.00 H new ATOM 651 N PRO A 91 -4.907 1.065 10.298 1.00 0.00 N ATOM 652 CA PRO A 91 -4.515 0.326 9.108 1.00 0.00 C ATOM 653 C PRO A 91 -5.695 0.170 8.147 1.00 0.00 C ATOM 654 O PRO A 91 -6.850 0.200 8.566 1.00 0.00 O ATOM 655 CB PRO A 91 -3.990 -1.003 9.627 1.00 0.00 C ATOM 656 CG PRO A 91 -4.536 -1.145 11.038 1.00 0.00 C ATOM 657 CD PRO A 91 -5.066 0.212 11.471 1.00 0.00 C ATOM 0 HA PRO A 91 -3.751 0.840 8.525 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.321 -1.827 8.995 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.900 -1.019 9.627 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.329 -1.892 11.067 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.754 -1.484 11.718 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.111 0.150 11.776 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.508 0.602 12.322 1.00 0.00 H new ATOM 665 N ALA A 92 -5.360 0.007 6.874 1.00 0.00 N ATOM 666 CA ALA A 92 -6.378 -0.155 5.850 1.00 0.00 C ATOM 667 C ALA A 92 -5.762 -0.847 4.632 1.00 0.00 C ATOM 668 O ALA A 92 -4.578 -0.674 4.348 1.00 0.00 O ATOM 669 CB ALA A 92 -6.976 1.210 5.504 1.00 0.00 C ATOM 0 H ALA A 92 -4.400 -0.016 6.530 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.191 -0.784 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.740 1.089 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.425 1.647 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.190 1.868 5.133 1.00 0.00 H new ATOM 675 N ALA A 93 -6.595 -1.615 3.944 1.00 0.00 N ATOM 676 CA ALA A 93 -6.164 -2.281 2.727 1.00 0.00 C ATOM 677 C ALA A 93 -6.131 -1.269 1.581 1.00 0.00 C ATOM 678 O ALA A 93 -7.025 -0.433 1.459 1.00 0.00 O ATOM 679 CB ALA A 93 -7.095 -3.461 2.434 1.00 0.00 C ATOM 0 H ALA A 93 -7.565 -1.790 4.206 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.156 -2.680 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.772 -3.961 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.062 -4.166 3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.115 -3.097 2.307 1.00 0.00 H new ATOM 685 N LEU A 94 -5.090 -1.377 0.768 1.00 0.00 N ATOM 686 CA LEU A 94 -4.919 -0.470 -0.353 1.00 0.00 C ATOM 687 C LEU A 94 -5.147 -1.233 -1.660 1.00 0.00 C ATOM 688 O LEU A 94 -5.635 -0.669 -2.638 1.00 0.00 O ATOM 689 CB LEU A 94 -3.559 0.227 -0.277 1.00 0.00 C ATOM 690 CG LEU A 94 -3.542 1.589 0.422 1.00 0.00 C ATOM 691 CD1 LEU A 94 -3.908 1.451 1.900 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.194 2.286 0.228 1.00 0.00 C ATOM 0 H LEU A 94 -4.357 -2.079 0.864 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.662 0.327 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.863 -0.433 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.182 0.357 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.301 2.220 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.888 2.433 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.907 1.025 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.189 0.796 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.207 3.251 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.401 1.667 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.012 2.437 -0.836 1.00 0.00 H new ATOM 704 N LYS A 95 -4.780 -2.507 -1.636 1.00 0.00 N ATOM 705 CA LYS A 95 -4.936 -3.354 -2.806 1.00 0.00 C ATOM 706 C LYS A 95 -5.271 -4.778 -2.358 1.00 0.00 C ATOM 707 O LYS A 95 -4.837 -5.215 -1.293 1.00 0.00 O ATOM 708 CB LYS A 95 -3.700 -3.264 -3.702 1.00 0.00 C ATOM 709 CG LYS A 95 -2.961 -1.943 -3.487 1.00 0.00 C ATOM 710 CD LYS A 95 -1.683 -1.887 -4.325 1.00 0.00 C ATOM 711 CE LYS A 95 -1.996 -1.529 -5.779 1.00 0.00 C ATOM 712 NZ LYS A 95 -0.807 -1.740 -6.634 1.00 0.00 N ATOM 0 H LYS A 95 -4.375 -2.973 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.769 -3.009 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.031 -4.098 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.997 -3.353 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.612 -1.110 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.713 -1.828 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.000 -1.149 -3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.175 -2.851 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.823 -2.140 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.317 -0.489 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.038 -1.492 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.027 -1.138 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.519 -2.738 -6.587 1.00 0.00 H new ATOM 726 N GLU A 96 -6.038 -5.462 -3.194 1.00 0.00 N ATOM 727 CA GLU A 96 -6.449 -6.822 -2.889 1.00 0.00 C ATOM 728 C GLU A 96 -6.113 -7.753 -4.056 1.00 0.00 C ATOM 729 O GLU A 96 -6.484 -7.482 -5.197 1.00 0.00 O ATOM 730 CB GLU A 96 -7.940 -6.881 -2.553 1.00 0.00 C ATOM 731 CG GLU A 96 -8.254 -6.054 -1.304 1.00 0.00 C ATOM 732 CD GLU A 96 -9.730 -6.179 -0.920 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.157 -7.329 -0.674 1.00 0.00 O ATOM 734 OE2 GLU A 96 -10.398 -5.124 -0.881 1.00 0.00 O ATOM 0 H GLU A 96 -6.386 -5.100 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.898 -7.159 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.521 -6.508 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.240 -7.917 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.630 -6.388 -0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.009 -5.007 -1.485 1.00 0.00 H new ATOM 741 N GLY A 97 -5.413 -8.829 -3.731 1.00 0.00 N ATOM 742 CA GLY A 97 -5.058 -9.821 -4.731 1.00 0.00 C ATOM 743 C GLY A 97 -4.431 -9.161 -5.959 1.00 0.00 C ATOM 744 O GLY A 97 -5.029 -9.148 -7.034 1.00 0.00 O ATOM 0 H GLY A 97 -5.082 -9.036 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.359 -10.540 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.947 -10.378 -5.027 1.00 0.00 H new ATOM 748 N VAL A 98 -3.234 -8.628 -5.761 1.00 0.00 N ATOM 749 CA VAL A 98 -2.500 -8.008 -6.850 1.00 0.00 C ATOM 750 C VAL A 98 -1.241 -8.827 -7.144 1.00 0.00 C ATOM 751 O VAL A 98 -0.803 -9.619 -6.310 1.00 0.00 O ATOM 752 CB VAL A 98 -2.196 -6.547 -6.510 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.481 -5.719 -6.450 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.414 -6.439 -5.200 1.00 0.00 C ATOM 0 H VAL A 98 -2.754 -8.613 -4.861 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.101 -7.999 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.572 -6.142 -7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.237 -4.685 -6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.983 -5.755 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.141 -6.126 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.211 -5.390 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.001 -6.871 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.472 -6.979 -5.293 1.00 0.00 H new ATOM 764 N SER A 99 -0.696 -8.610 -8.331 1.00 0.00 N ATOM 765 CA SER A 99 0.491 -9.332 -8.753 1.00 0.00 C ATOM 766 C SER A 99 1.625 -9.107 -7.750 1.00 0.00 C ATOM 767 O SER A 99 1.804 -7.998 -7.249 1.00 0.00 O ATOM 768 CB SER A 99 0.930 -8.900 -10.154 1.00 0.00 C ATOM 769 OG SER A 99 1.243 -7.511 -10.211 1.00 0.00 O ATOM 0 H SER A 99 -1.055 -7.944 -9.015 1.00 0.00 H new ATOM 0 HA SER A 99 0.250 -10.394 -8.788 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.802 -9.481 -10.456 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.136 -9.122 -10.867 1.00 0.00 H new ATOM 0 HG SER A 99 1.964 -7.364 -10.858 1.00 0.00 H new ATOM 775 N LYS A 100 2.360 -10.178 -7.485 1.00 0.00 N ATOM 776 CA LYS A 100 3.456 -10.117 -6.534 1.00 0.00 C ATOM 777 C LYS A 100 4.429 -9.012 -6.954 1.00 0.00 C ATOM 778 O LYS A 100 4.866 -8.218 -6.123 1.00 0.00 O ATOM 779 CB LYS A 100 4.112 -11.490 -6.384 1.00 0.00 C ATOM 780 CG LYS A 100 5.114 -11.498 -5.227 1.00 0.00 C ATOM 781 CD LYS A 100 6.540 -11.279 -5.734 1.00 0.00 C ATOM 782 CE LYS A 100 7.541 -11.281 -4.576 1.00 0.00 C ATOM 783 NZ LYS A 100 8.912 -11.040 -5.076 1.00 0.00 N ATOM 0 H LYS A 100 2.217 -11.093 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 100 3.086 -9.857 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.346 -12.246 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.620 -11.757 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.855 -10.717 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.055 -12.449 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.801 -12.062 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.598 -10.330 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.271 -10.512 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.501 -12.237 -4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.483 -10.600 -4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.344 -11.944 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.875 -10.406 -5.900 1.00 0.00 H new ATOM 797 N ASP A 101 4.737 -8.999 -8.241 1.00 0.00 N ATOM 798 CA ASP A 101 5.705 -8.051 -8.768 1.00 0.00 C ATOM 799 C ASP A 101 5.275 -6.630 -8.398 1.00 0.00 C ATOM 800 O ASP A 101 6.110 -5.796 -8.051 1.00 0.00 O ATOM 801 CB ASP A 101 5.786 -8.138 -10.294 1.00 0.00 C ATOM 802 CG ASP A 101 6.314 -9.466 -10.839 1.00 0.00 C ATOM 803 OD1 ASP A 101 7.240 -10.015 -10.202 1.00 0.00 O ATOM 804 OD2 ASP A 101 5.779 -9.904 -11.881 1.00 0.00 O ATOM 0 H ASP A 101 4.334 -9.629 -8.935 1.00 0.00 H new ATOM 0 HA ASP A 101 6.679 -8.290 -8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.792 -7.963 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.427 -7.334 -10.655 1.00 0.00 H new ATOM 809 N ASP A 102 3.973 -6.399 -8.482 1.00 0.00 N ATOM 810 CA ASP A 102 3.429 -5.079 -8.216 1.00 0.00 C ATOM 811 C ASP A 102 3.481 -4.804 -6.712 1.00 0.00 C ATOM 812 O ASP A 102 3.679 -3.666 -6.291 1.00 0.00 O ATOM 813 CB ASP A 102 1.969 -4.984 -8.664 1.00 0.00 C ATOM 814 CG ASP A 102 1.766 -4.676 -10.148 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.647 -5.083 -10.937 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.735 -4.044 -10.461 1.00 0.00 O ATOM 0 H ASP A 102 3.279 -7.104 -8.731 1.00 0.00 H new ATOM 0 HA ASP A 102 4.024 -4.352 -8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.472 -5.926 -8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.474 -4.210 -8.077 1.00 0.00 H new ATOM 821 N ALA A 103 3.301 -5.867 -5.942 1.00 0.00 N ATOM 822 CA ALA A 103 3.304 -5.751 -4.494 1.00 0.00 C ATOM 823 C ALA A 103 4.700 -5.345 -4.020 1.00 0.00 C ATOM 824 O ALA A 103 4.847 -4.397 -3.249 1.00 0.00 O ATOM 825 CB ALA A 103 2.839 -7.071 -3.875 1.00 0.00 C ATOM 0 H ALA A 103 3.152 -6.813 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 103 2.609 -4.976 -4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.841 -6.984 -2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.830 -7.299 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.514 -7.872 -4.176 1.00 0.00 H new ATOM 831 N GLU A 104 5.690 -6.082 -4.500 1.00 0.00 N ATOM 832 CA GLU A 104 7.062 -5.865 -4.072 1.00 0.00 C ATOM 833 C GLU A 104 7.595 -4.550 -4.645 1.00 0.00 C ATOM 834 O GLU A 104 8.452 -3.908 -4.040 1.00 0.00 O ATOM 835 CB GLU A 104 7.955 -7.041 -4.472 1.00 0.00 C ATOM 836 CG GLU A 104 9.374 -6.861 -3.930 1.00 0.00 C ATOM 837 CD GLU A 104 10.180 -8.153 -4.065 1.00 0.00 C ATOM 838 OE1 GLU A 104 9.816 -9.126 -3.368 1.00 0.00 O ATOM 839 OE2 GLU A 104 11.143 -8.141 -4.862 1.00 0.00 O ATOM 0 H GLU A 104 5.570 -6.831 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 104 7.076 -5.796 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.531 -7.970 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.985 -7.127 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.874 -6.058 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.332 -6.562 -2.883 1.00 0.00 H new ATOM 846 N ALA A 105 7.067 -4.190 -5.805 1.00 0.00 N ATOM 847 CA ALA A 105 7.512 -2.987 -6.488 1.00 0.00 C ATOM 848 C ALA A 105 7.141 -1.763 -5.649 1.00 0.00 C ATOM 849 O ALA A 105 7.990 -0.915 -5.372 1.00 0.00 O ATOM 850 CB ALA A 105 6.899 -2.939 -7.890 1.00 0.00 C ATOM 0 H ALA A 105 6.335 -4.710 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 105 8.596 -2.991 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.233 -2.037 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.215 -3.815 -8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.812 -2.931 -7.812 1.00 0.00 H new ATOM 856 N LEU A 106 5.873 -1.707 -5.268 1.00 0.00 N ATOM 857 CA LEU A 106 5.375 -0.588 -4.487 1.00 0.00 C ATOM 858 C LEU A 106 5.970 -0.649 -3.078 1.00 0.00 C ATOM 859 O LEU A 106 6.307 0.383 -2.499 1.00 0.00 O ATOM 860 CB LEU A 106 3.845 -0.558 -4.509 1.00 0.00 C ATOM 861 CG LEU A 106 3.193 0.750 -4.061 1.00 0.00 C ATOM 862 CD1 LEU A 106 3.299 1.817 -5.152 1.00 0.00 C ATOM 863 CD2 LEU A 106 1.746 0.520 -3.623 1.00 0.00 C ATOM 0 H LEU A 106 5.176 -2.419 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 106 5.695 0.356 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.512 -0.778 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.477 -1.361 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 106 3.736 1.122 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.827 2.737 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.349 2.008 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.796 1.467 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.306 1.467 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.174 0.112 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.725 -0.183 -2.791 1.00 0.00 H new ATOM 875 N LYS A 107 6.078 -1.866 -2.569 1.00 0.00 N ATOM 876 CA LYS A 107 6.614 -2.073 -1.234 1.00 0.00 C ATOM 877 C LYS A 107 8.009 -1.450 -1.146 1.00 0.00 C ATOM 878 O LYS A 107 8.296 -0.690 -0.223 1.00 0.00 O ATOM 879 CB LYS A 107 6.580 -3.558 -0.867 1.00 0.00 C ATOM 880 CG LYS A 107 6.921 -3.766 0.610 1.00 0.00 C ATOM 881 CD LYS A 107 7.132 -5.249 0.920 1.00 0.00 C ATOM 882 CE LYS A 107 7.130 -5.499 2.429 1.00 0.00 C ATOM 883 NZ LYS A 107 8.282 -4.825 3.069 1.00 0.00 N ATOM 0 H LYS A 107 5.804 -2.719 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 107 5.993 -1.571 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.591 -3.965 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.288 -4.106 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.822 -3.206 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.117 -3.372 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.345 -5.838 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.078 -5.582 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.200 -5.132 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.173 -6.570 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.343 -5.114 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.158 -5.092 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.155 -3.794 3.015 1.00 0.00 H new ATOM 897 N LYS A 108 8.838 -1.796 -2.120 1.00 0.00 N ATOM 898 CA LYS A 108 10.204 -1.302 -2.150 1.00 0.00 C ATOM 899 C LYS A 108 10.190 0.227 -2.094 1.00 0.00 C ATOM 900 O LYS A 108 10.989 0.833 -1.382 1.00 0.00 O ATOM 901 CB LYS A 108 10.952 -1.866 -3.360 1.00 0.00 C ATOM 902 CG LYS A 108 11.324 -3.333 -3.141 1.00 0.00 C ATOM 903 CD LYS A 108 12.831 -3.492 -2.932 1.00 0.00 C ATOM 904 CE LYS A 108 13.255 -2.959 -1.562 1.00 0.00 C ATOM 905 NZ LYS A 108 12.669 -3.783 -0.482 1.00 0.00 N ATOM 0 H LYS A 108 8.590 -2.412 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 108 10.753 -1.649 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.331 -1.774 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.854 -1.281 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.790 -3.721 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.008 -3.924 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.104 -4.544 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.369 -2.958 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.342 -2.965 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.933 -1.923 -1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.976 -3.218 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.196 -4.612 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.423 -4.100 0.161 1.00 0.00 H new ATOM 919 N ALA A 109 9.273 0.807 -2.853 1.00 0.00 N ATOM 920 CA ALA A 109 9.155 2.254 -2.912 1.00 0.00 C ATOM 921 C ALA A 109 8.697 2.780 -1.549 1.00 0.00 C ATOM 922 O ALA A 109 9.181 3.810 -1.084 1.00 0.00 O ATOM 923 CB ALA A 109 8.196 2.643 -4.038 1.00 0.00 C ATOM 0 H ALA A 109 8.604 0.301 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 109 10.120 2.709 -3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.108 3.729 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.580 2.271 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.215 2.207 -3.848 1.00 0.00 H new ATOM 929 N LEU A 110 7.770 2.047 -0.950 1.00 0.00 N ATOM 930 CA LEU A 110 7.220 2.444 0.336 1.00 0.00 C ATOM 931 C LEU A 110 8.332 2.425 1.387 1.00 0.00 C ATOM 932 O LEU A 110 8.404 3.314 2.233 1.00 0.00 O ATOM 933 CB LEU A 110 6.018 1.568 0.697 1.00 0.00 C ATOM 934 CG LEU A 110 4.796 1.699 -0.214 1.00 0.00 C ATOM 935 CD1 LEU A 110 4.039 0.372 -0.311 1.00 0.00 C ATOM 936 CD2 LEU A 110 3.889 2.843 0.246 1.00 0.00 C ATOM 0 H LEU A 110 7.386 1.182 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 110 6.840 3.465 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.339 0.526 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.714 1.805 1.716 1.00 0.00 H new ATOM 0 HG LEU A 110 5.143 1.946 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.175 0.493 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.698 -0.394 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.704 0.071 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.028 2.914 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.547 2.650 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.445 3.780 0.222 1.00 0.00 H new ATOM 948 N GLU A 111 9.169 1.401 1.300 1.00 0.00 N ATOM 949 CA GLU A 111 10.261 1.246 2.245 1.00 0.00 C ATOM 950 C GLU A 111 11.315 2.332 2.022 1.00 0.00 C ATOM 951 O GLU A 111 11.875 2.864 2.979 1.00 0.00 O ATOM 952 CB GLU A 111 10.881 -0.149 2.142 1.00 0.00 C ATOM 953 CG GLU A 111 9.914 -1.218 2.657 1.00 0.00 C ATOM 954 CD GLU A 111 10.534 -2.613 2.552 1.00 0.00 C ATOM 955 OE1 GLU A 111 10.785 -3.038 1.404 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.741 -3.225 3.623 1.00 0.00 O ATOM 0 H GLU A 111 9.112 0.671 0.590 1.00 0.00 H new ATOM 0 HA GLU A 111 9.861 1.357 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.142 -0.359 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.806 -0.183 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.654 -1.009 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.988 -1.183 2.083 1.00 0.00 H new ATOM 963 N GLU A 112 11.554 2.628 0.753 1.00 0.00 N ATOM 964 CA GLU A 112 12.514 3.659 0.393 1.00 0.00 C ATOM 965 C GLU A 112 12.158 4.978 1.082 1.00 0.00 C ATOM 966 O GLU A 112 13.044 5.742 1.463 1.00 0.00 O ATOM 967 CB GLU A 112 12.587 3.834 -1.125 1.00 0.00 C ATOM 968 CG GLU A 112 13.441 2.737 -1.763 1.00 0.00 C ATOM 969 CD GLU A 112 14.929 3.087 -1.687 1.00 0.00 C ATOM 970 OE1 GLU A 112 15.312 4.082 -2.339 1.00 0.00 O ATOM 971 OE2 GLU A 112 15.648 2.353 -0.977 1.00 0.00 O ATOM 0 H GLU A 112 11.100 2.173 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 112 13.500 3.347 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.582 3.809 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 112 13.007 4.811 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.260 1.789 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.148 2.602 -2.804 1.00 0.00 H new ATOM 978 N ALA A 113 10.861 5.205 1.221 1.00 0.00 N ATOM 979 CA ALA A 113 10.378 6.432 1.831 1.00 0.00 C ATOM 980 C ALA A 113 10.452 6.303 3.354 1.00 0.00 C ATOM 981 O ALA A 113 10.782 7.265 4.046 1.00 0.00 O ATOM 982 CB ALA A 113 8.957 6.723 1.340 1.00 0.00 C ATOM 0 H ALA A 113 10.129 4.560 0.922 1.00 0.00 H new ATOM 0 HA ALA A 113 11.003 7.276 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.595 7.644 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.962 6.835 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.300 5.898 1.616 1.00 0.00 H new ATOM 988 N GLY A 114 10.141 5.106 3.830 1.00 0.00 N ATOM 989 CA GLY A 114 10.190 4.832 5.257 1.00 0.00 C ATOM 990 C GLY A 114 8.783 4.631 5.825 1.00 0.00 C ATOM 991 O GLY A 114 8.376 5.337 6.746 1.00 0.00 O ATOM 0 H GLY A 114 9.854 4.315 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.791 3.941 5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.680 5.658 5.773 1.00 0.00 H new ATOM 995 N ALA A 115 8.079 3.666 5.251 1.00 0.00 N ATOM 996 CA ALA A 115 6.734 3.353 5.701 1.00 0.00 C ATOM 997 C ALA A 115 6.628 1.849 5.968 1.00 0.00 C ATOM 998 O ALA A 115 7.412 1.065 5.436 1.00 0.00 O ATOM 999 CB ALA A 115 5.722 3.834 4.659 1.00 0.00 C ATOM 0 H ALA A 115 8.415 3.091 4.478 1.00 0.00 H new ATOM 0 HA ALA A 115 6.511 3.870 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.713 3.599 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.819 4.912 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.912 3.334 3.709 1.00 0.00 H new ATOM 1005 N GLU A 116 5.652 1.495 6.790 1.00 0.00 N ATOM 1006 CA GLU A 116 5.434 0.100 7.135 1.00 0.00 C ATOM 1007 C GLU A 116 4.231 -0.454 6.368 1.00 0.00 C ATOM 1008 O GLU A 116 3.112 0.034 6.523 1.00 0.00 O ATOM 1009 CB GLU A 116 5.247 -0.069 8.643 1.00 0.00 C ATOM 1010 CG GLU A 116 5.157 -1.549 9.023 1.00 0.00 C ATOM 1011 CD GLU A 116 5.164 -1.727 10.543 1.00 0.00 C ATOM 1012 OE1 GLU A 116 4.220 -1.209 11.178 1.00 0.00 O ATOM 1013 OE2 GLU A 116 6.112 -2.377 11.034 1.00 0.00 O ATOM 0 H GLU A 116 5.003 2.149 7.227 1.00 0.00 H new ATOM 0 HA GLU A 116 6.318 -0.468 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.080 0.395 9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.341 0.447 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.246 -1.980 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.995 -2.092 8.586 1.00 0.00 H new ATOM 1020 N VAL A 117 4.502 -1.466 5.558 1.00 0.00 N ATOM 1021 CA VAL A 117 3.460 -2.078 4.750 1.00 0.00 C ATOM 1022 C VAL A 117 3.358 -3.565 5.100 1.00 0.00 C ATOM 1023 O VAL A 117 4.372 -4.228 5.308 1.00 0.00 O ATOM 1024 CB VAL A 117 3.735 -1.831 3.265 1.00 0.00 C ATOM 1025 CG1 VAL A 117 2.794 -2.659 2.388 1.00 0.00 C ATOM 1026 CG2 VAL A 117 3.633 -0.343 2.929 1.00 0.00 C ATOM 0 H VAL A 117 5.428 -1.878 5.443 1.00 0.00 H new ATOM 0 HA VAL A 117 2.493 -1.625 4.967 1.00 0.00 H new ATOM 0 HB VAL A 117 4.755 -2.152 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.011 -2.465 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.939 -3.719 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.761 -2.384 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.833 -0.195 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.630 0.015 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.363 0.214 3.517 1.00 0.00 H new ATOM 1036 N GLU A 118 2.123 -4.042 5.155 1.00 0.00 N ATOM 1037 CA GLU A 118 1.875 -5.439 5.473 1.00 0.00 C ATOM 1038 C GLU A 118 1.477 -6.208 4.211 1.00 0.00 C ATOM 1039 O GLU A 118 0.637 -5.748 3.439 1.00 0.00 O ATOM 1040 CB GLU A 118 0.802 -5.571 6.556 1.00 0.00 C ATOM 1041 CG GLU A 118 0.511 -7.043 6.861 1.00 0.00 C ATOM 1042 CD GLU A 118 1.746 -7.739 7.438 1.00 0.00 C ATOM 1043 OE1 GLU A 118 1.908 -7.670 8.675 1.00 0.00 O ATOM 1044 OE2 GLU A 118 2.498 -8.323 6.628 1.00 0.00 O ATOM 0 H GLU A 118 1.284 -3.487 4.985 1.00 0.00 H new ATOM 0 HA GLU A 118 2.796 -5.872 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.132 -5.066 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.112 -5.075 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.315 -7.115 7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.195 -7.551 5.950 1.00 0.00 H new ATOM 1051 N VAL A 119 2.102 -7.363 4.041 1.00 0.00 N ATOM 1052 CA VAL A 119 1.821 -8.202 2.888 1.00 0.00 C ATOM 1053 C VAL A 119 0.986 -9.406 3.329 1.00 0.00 C ATOM 1054 O VAL A 119 1.365 -10.123 4.253 1.00 0.00 O ATOM 1055 CB VAL A 119 3.129 -8.600 2.201 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.864 -9.536 1.020 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.914 -7.364 1.757 1.00 0.00 C ATOM 0 H VAL A 119 2.802 -7.738 4.682 1.00 0.00 H new ATOM 0 HA VAL A 119 1.235 -7.654 2.150 1.00 0.00 H new ATOM 0 HB VAL A 119 3.738 -9.140 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.810 -9.804 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.367 -10.439 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.226 -9.033 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.839 -7.675 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.314 -6.784 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.149 -6.751 2.627 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.133 -9.590 2.646 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.025 -10.696 2.954 1.00 0.00 C ATOM 1069 C LYS A 120 -1.294 -11.499 1.680 1.00 0.00 C ATOM 1070 O LYS A 120 -0.752 -11.189 0.620 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.294 -10.188 3.639 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.465 -10.826 5.019 1.00 0.00 C ATOM 1073 CD LYS A 120 -3.589 -10.143 5.803 1.00 0.00 C ATOM 1074 CE LYS A 120 -4.952 -10.436 5.175 1.00 0.00 C ATOM 1075 NZ LYS A 120 -6.040 -9.893 6.019 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.110 -12.489 1.820 1.00 0.00 O ATOM 0 H LYS A 120 -0.443 -8.992 1.880 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.556 -11.375 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.248 -9.104 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.162 -10.415 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.687 -11.887 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.531 -10.752 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -3.579 -10.489 6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -3.419 -9.067 5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -5.002 -9.996 4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -5.080 -11.512 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.958 -10.101 5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -6.001 -10.332 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -5.926 -8.863 6.112 1.00 0.00 H new